smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)c1sc(NC(=O)CSc2nc(CC)c(C#N)c(=O)[nH]2)c(C(=O)OCC)c1C 9004879 JNMPRYRHZLEJBS-UHFFFAOYSA-N 478.552 2.658 30 10 JFEE COc1ccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 97553116 CHETVAAFMQOBOM-DJYGDJEFSA-N 452.507 2.988 30 10 JFEE CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC(=O)OC)/C(=N/c3ccccc3)S2)cc1 100216620 HKRLVLVVPCHTPZ-AIUXHPFZSA-N 469.519 2.997 30 10 JFEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 254441459 RQZIZFRAKILAPL-OAQYLSRUSA-N 480.567 2.951 30 10 JFEE COc1ccccc1C=NOCc1nc2c3c(C)c(C)n(CCCN4CCOCC4)c3ncn2n1 254742440 APHWWJARINADFN-UHFFFAOYSA-N 477.569 2.977 30 10 JFEE COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(C(C)=O)c2)cc1OC 254872439 OAPVGVTXWYNTFW-XLIONFOSSA-N 474.560 2.822 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 515747669 JJGKIMFCNSASCI-UHFFFAOYSA-N 499.409 2.690 30 10 JFEE O=C(O)C#CCNC(=O)[C@H](Cc1cncs1)NC(=O)OCC1c2ccccc2-c2ccccc21 757477823 LSTQGMJQWHPFEX-QFIPXVFZSA-N 475.526 2.797 30 10 JFEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C3CC3)C3(C#N)CCC3)CC2)cc1 1128086519 HRLUWHAHGXKIMK-UHFFFAOYSA-N 459.568 2.701 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCO)c2ccccc2Br)cc1 1138163379 JHIJDIMVGDQOFJ-SFHVURJKSA-N 453.358 2.767 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 1138186778 NSAXLYDUALDITN-IBGZPJMESA-N 452.454 2.831 30 10 JFEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 1187989989 AIGXQAGAKKTUDA-LJQANCHMSA-N 451.907 2.571 30 10 JFEE C[C@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 1208364676 FEMOTADRCIIWKS-CQSZACIVSA-N 459.478 2.954 30 10 JFEE C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccc(C#N)cc1 1216038656 DNPVTHLYRUMHEW-INIZCTEOSA-N 457.556 2.528 30 10 JFEE C#C[C@H](NC(=O)N1CCC(N(CCOC)CCOC)CC1)c1ccc(Br)cc1 1252457985 GYKIURQZMLDHOE-FQEVSTJZSA-N 452.393 2.892 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1286387463 QZEKSBQECQNJKP-IAGOWNOFSA-N 451.543 2.736 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286388223 ZEHIAEYJUABZMN-NRFANRHFSA-N 471.627 2.954 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1286391934 JXCMVZLRRDDADL-OAQYLSRUSA-N 499.662 2.820 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCC(C)CC2)nc1 1286398144 GVSKPBKGEQSRPN-UHFFFAOYSA-N 461.614 2.949 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1286436305 ZEOYJTJBFAOJTP-UHFFFAOYSA-N 460.542 2.963 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC2CCOCC2)CC1 1286473941 WMVXIUWVQNHAKI-UHFFFAOYSA-N 491.434 2.624 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCOC2)CC1 1286479245 GIEKMNIUGJLSDV-HXUWFJFHSA-N 472.634 2.574 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccncc2)CC1 1286486895 RKAYWVANLDVBNS-UHFFFAOYSA-N 485.592 2.751 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286501033 KLHLQQIHYDAGIX-FQEVSTJZSA-N 482.610 2.739 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)CC1 1286506922 QMDQYCNYYGSPKG-HXUWFJFHSA-N 492.690 2.527 30 10 JFEE C=C(Br)Cn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1286548251 VEXUVVYEQILKJP-YJBOKZPZSA-N 467.456 2.863 30 10 JFEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)C)CC1 1286606973 AADAWJVVLKZYAO-HXUWFJFHSA-N 478.638 2.710 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1286663317 KXTCMLLWDIBQEA-LJQANCHMSA-N 472.615 2.724 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1286742339 OZCNLHNRQKVSRC-FQEVSTJZSA-N 463.567 2.624 30 10 JFEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1286761225 YJPIXRPRWPAXOP-UHFFFAOYSA-N 462.579 2.782 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1286791209 PQSINEDINIQUTP-UHFFFAOYSA-N 470.618 2.903 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286791908 HAAOFKKAEHJAOA-UHFFFAOYSA-N 491.449 2.670 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286792165 OMUFTYPDUNRYOX-UHFFFAOYSA-N 473.940 2.990 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(F)cn2)C1 1286804820 OJDRPNWGAUYRSW-HXUWFJFHSA-N 486.573 2.559 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1286967743 GKGVGJXNGSZHCR-NWFVXXGESA-N 462.595 2.528 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(CCc2ccccc2)n1 1300273604 QYJWXXAOVDKDGR-SJORKVTESA-N 472.640 2.636 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300489893 VDTAXTAGMMCZAS-WMZOPIPTSA-N 486.516 2.548 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccsc1)N(C)C 1300528025 OHGPRICJIDXATD-FQEVSTJZSA-N 481.651 2.675 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(Cl)c2)CC1 1300685300 KXKMZICJBVCTJZ-XMMPIXPASA-N 474.005 2.784 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)CC1 1300731742 IDNRBCAPGGYBPR-FQEVSTJZSA-N 488.633 2.741 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](OCC=C)C1 1300740818 FFTMUQAZDMJTRU-GOSISDBHSA-N 474.656 2.694 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300754233 MGQTUZAWCDXBRE-UHFFFAOYSA-N 476.610 2.560 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300766038 QEJRHLOYAQLZOQ-HXUWFJFHSA-N 457.003 2.991 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 1300889612 CXTULIWKFGWHQP-QRWLVFNGSA-N 476.375 2.537 30 10 JFEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1300972701 OPSHRUCQBUXWJB-HOYKHHGWSA-N 490.004 2.838 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1300980871 ODASPJGXYMHBGL-UHFFFAOYSA-N 455.559 2.662 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301159349 ZDPFUSMZPZWPRJ-SANMLTNESA-N 488.677 2.665 30 10 JFEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301202850 RTZYDMXXLUQNIC-UHFFFAOYSA-N 487.402 2.601 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 1301239901 XOOVXVSQTMCJSH-UHFFFAOYSA-N 453.591 2.973 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301245834 NGLIGYONNNRQTF-HSZRJFAPSA-N 457.531 2.586 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC(F)(F)F)C1 1301289327 APPPPBQCWXQMER-OAHLLOKOSA-N 461.492 2.698 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1301339130 HJTBNFMCOBULIB-RXVVDRJESA-N 455.584 2.671 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)COCCO1 1301341185 PCDIZFLWQITPID-LOSJGSFVSA-N 467.570 2.800 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1301349769 RSXPYFCBYFSZLM-LEWJYISDSA-N 491.683 2.947 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1301458658 DPFHGALAGBTGAS-HXUWFJFHSA-N 452.607 2.771 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301509845 NZUHHTYPKCZOMB-HXUWFJFHSA-N 463.586 2.579 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1CCOC1 1301576044 QAAJUHTVRCYDJT-MRXNPFEDSA-N 469.405 2.842 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCCC2)CC1 1301576701 YNKAAWUJEKKGDR-UHFFFAOYSA-N 497.463 2.701 30 10 JFEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)cn1 1301785664 DXJUKIOUSONDKS-SFHVURJKSA-N 471.443 2.986 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCN(C)C(=O)OC(C)(C)C 1301970426 FMSKXVYIDLTZPG-HNNXBMFYSA-N 461.592 2.732 30 10 JFEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1305021399 GDMRDTXTTGCCDW-QUCCMNQESA-N 486.642 2.588 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1306042455 BMVTZMSAWKVUNI-IBGZPJMESA-N 465.558 2.598 30 10 JFEE C#CCC1(NC(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CCOCC1 1311379141 XMNUPUDHFMZSEB-UHFFFAOYSA-N 451.546 2.919 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1313666634 HZOPDXZNZDGZDH-OALUTQOASA-N 453.639 2.974 30 10 JFEE CCN(CCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C#N)cc1)S(C)(=O)=O 1313799644 FHDHZBKLBKKYME-FQEVSTJZSA-N 460.604 2.699 30 10 JFEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C)OC 1315806680 DSYXSGYEUZAKBP-FPOVZHCZSA-N 465.558 2.637 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCS(=O)(=O)C1 1358941955 CZTGNMOAHVNQDC-GFCCVEGCSA-N 457.781 2.865 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358964113 UDVIMGRCDHRNIX-NJDAHSKKSA-N 463.692 2.861 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC1CCN(CCN(C)C)CC1 1358981662 SLKVYEVQEMBIEK-UHFFFAOYSA-N 457.626 2.628 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCSC1 1359020607 JQQOWHQDXVCJCI-QGZVFWFLSA-N 457.419 2.723 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)c1ccsc1 1359025349 LCHSWZSBCZQGJQ-REWPJTCUSA-N 454.552 2.846 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2c(C)nn(C)c2C)CC1 1359029535 AHWYZCZHBCPBTJ-IBGZPJMESA-N 451.550 2.711 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)Cc1cnn(C)c1 1359056474 GAWMDIOJXIHKMP-UHFFFAOYSA-N 465.631 2.579 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C1CC1 1359066251 TUYUKIHCUORHEN-NZQKXSOJSA-N 457.600 2.613 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1359130995 FEJUFWSOLXKPFZ-GOSISDBHSA-N 452.559 2.648 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359144182 ALEIZPPIHFCOKN-SFHVURJKSA-N 495.049 2.833 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359190064 CUPHXQASOMGUTD-QGZVFWFLSA-N 452.650 2.754 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359290304 UXXHUVFAJNERJF-UHFFFAOYSA-N 457.600 2.840 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1359291315 LUDFJQATFOSGPH-MRXNPFEDSA-N 459.620 2.648 30 10 JFEE 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C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359126157 HELFAERQHQBYDF-XMMPIXPASA-N 466.517 2.755 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359131273 NYPBGPUGRKQTOP-SZPZYZBQSA-N 495.672 2.868 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1359219642 YHULEWPTZSORDM-OFNKIYASSA-N 482.677 2.923 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CCS(=O)(=O)N1CCSCC1 1359260455 FJQFJKMTZPAIEU-UHFFFAOYSA-N 465.620 2.866 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1359300897 MFKOBBMOYIIGIS-WIYYLYMNSA-N 459.978 2.688 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359329763 UAWXGDFSIZKMTR-UHFFFAOYSA-N 491.923 2.942 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2ccoc2CC(C)(C)C1 1359336071 DVVKYRMMWIGDPQ-ICSRJNTNSA-N 478.615 2.785 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)Cc1ccccc1 1359475305 IAFHVPHEPURGAV-LJQANCHMSA-N 477.594 2.727 30 10 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2.577 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507569590 GQSREJPGNVIBOQ-FQEVSTJZSA-N 471.606 2.673 30 10 JFEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCCOC)CC1 1507588275 IHFSPBHGQFVONA-QFIPXVFZSA-N 467.570 2.573 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCc3ccccc32)CC1 1507733712 JFERPRJSEULION-NRFANRHFSA-N 462.598 2.502 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cnccn2)CC1 1507754453 DKKAJXMIEQOSME-UHFFFAOYSA-N 463.611 2.555 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](N2CCCC2)C1 1507754716 YVLPFDGPUKIZPZ-SFHVURJKSA-N 458.657 2.701 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1507790586 AWMLKMUIQIRZJQ-ZWKOTPCHSA-N 470.540 2.570 30 10 JFEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(CCO)Cc1ccc(OC)cc1OC 1507864064 QPZSUOPOJSAXPB-UHFFFAOYSA-N 475.933 2.774 30 10 JFEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1509745019 AHOIBWFGGJQQDL-UHFFFAOYSA-N 467.574 2.835 30 10 JFEE 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C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c1 1561874802 OFQBCEYEMTXERT-UHFFFAOYSA-N 454.302 2.752 30 10 JFEE C#Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)c(Cl)c1 1585668078 DXGSWJFTEZJFHV-MRXNPFEDSA-N 450.900 2.883 30 10 JFEE C#CCCCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1587792811 AVTXXXAZVGGHKO-UTKZUKDTSA-N 471.524 2.627 30 10 JFEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1588059772 UTIDJKSIDAPPDI-FXAWDEMLSA-N 476.624 2.561 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC(F)(F)F)cc1 1588229106 RBYRGLIQGZSZPZ-GOSISDBHSA-N 480.512 2.784 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCC 1588400188 XPNPDGOEWCRTEM-LJQANCHMSA-N 470.574 2.888 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)CN2CCCCC2)CC1 1588763475 YEWCRDLDJXPUPQ-OAQYLSRUSA-N 496.656 2.848 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1588969181 WOAFDZWDEVCMCU-NRFANRHFSA-N 452.628 2.986 30 10 JFEE 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455.559 2.772 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)Cc2ccccc2)C1 1595706656 NVANYRUHBBKVIF-FQEVSTJZSA-N 455.584 2.680 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1595955888 FMKFVKHUYYSYBR-UHFFFAOYSA-N 466.586 2.871 30 10 JFEE CC1CCN(C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)C2)CC1 1612865115 FWUOJOGVCFXQIU-JOCHJYFZSA-N 499.685 2.656 30 10 JFEE COC(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@H](C(=O)OC)C1 1616522007 BBDGKHCXMISHED-PXNSSMCTSA-N 458.559 2.847 30 10 JFEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1617594831 FUHQZPHIVLBCDE-UHFFFAOYSA-N 480.960 2.786 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918269 CPTIQWWWVNZLPQ-MBOZVWFJSA-N 455.559 2.698 30 10 JFEE C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 1638227654 RCYNZPSLOQMYOS-UHFFFAOYSA-N 459.543 2.658 30 10 JFEE N#Cc1cccc(OC2CCN(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccn3)CC2)c1 1671480083 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30 10 JFEE C=C(C)Cn1c(N2CCC(S(=O)(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1593684040 REOCLJXDHAVFOC-QHCPKHFHSA-N 460.600 2.949 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1595127015 BVKOUGFGBDFRIQ-UHFFFAOYSA-N 473.574 2.555 30 10 JFEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1 1617267227 CDAQWRZRYCRSAG-KSFYIVLOSA-N 457.556 2.577 30 10 JFEE Cc1c(NC(=O)[C@H](C)SCC(=O)N(C[C@H](C)C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 1624273238 FQYRAFKDXDMQDM-WBVHZDCISA-N 455.584 2.695 30 10 JFEE C#CCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1624726356 KBXZBBVZFNOBBO-CQSZACIVSA-N 452.882 2.825 30 10 JFEE C#CCOCCN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1637865559 XCPRKBHFAIFACT-UHFFFAOYSA-N 451.342 2.972 30 10 JFEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CCO)c3cc(Cl)cc(Cl)c3)CC2)o1 1644049903 DUBAUPFBWWEPBW-KRWDZBQOSA-N 452.342 2.523 30 10 JFEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN(c3cccc(F)c3C#N)CC2)C1 1651974700 FRBWAWREGYKMNB-SFHVURJKSA-N 459.566 2.583 30 10 JFEE 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471.363 2.522 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(C(=O)N(C)C)CCCC2)c1 1705506753 HRDXMFYEVIAEPI-OAQYLSRUSA-N 492.624 2.877 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1705568244 JQXSQZZVYICILS-MRXNPFEDSA-N 464.588 2.519 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CC1 1705620344 RCBIEKFLSZASMQ-UHFFFAOYSA-N 473.599 2.990 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1705621072 QHKDACSRBJIOEE-VXKWHMMOSA-N 451.571 2.768 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCS2(=O)=O)CC1 1705648893 CEGJAYAVJNSPKK-GOSISDBHSA-N 490.029 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705649837 GIBGJAYHNIVPAW-KNQAVFIVSA-N 470.643 2.661 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705653351 FTZMOERGTLHXKB-UXHICEINSA-N 468.627 2.957 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705669843 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30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(ccnc2O)C1 1286353422 VZLOKKUBBCCZMV-LJQANCHMSA-N 468.558 2.663 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 1286384084 GYCJTWANZCOVEB-AZUAARDMSA-N 452.584 2.652 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286386997 LVHDYJYOADQVTF-QGZVFWFLSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286397966 FGNLYXDYJYERHE-CEMLEFRQSA-N 486.638 2.880 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCSC1(C)C 1286462384 JGWVFXRBWZEAEU-KRWDZBQOSA-N 476.672 2.856 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccnc(OC2CCOCC2)c1 1286463120 IQAHJFGUMKDROW-UHFFFAOYSA-N 451.527 2.934 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)CC1 1286484063 DHISVMULFQMFPU-UHFFFAOYSA-N 455.513 2.545 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286500277 UWRNKYTWDJBKQX-DEOSSOPVSA-N 469.611 2.968 30 10 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452.555 2.904 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)c1ccc(C)s1 1300631246 OJJXJVSVJFRNPL-IBGZPJMESA-N 487.607 2.599 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCCC1(C)C 1300657899 TZDQZQSKEZDIFJ-DEOSSOPVSA-N 488.658 2.574 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCC[C@@H]1C 1300664759 FIDWFQPOSSSFMP-SFTDATJTSA-N 474.650 2.963 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1300703337 GUKOBYUANOZUQG-XMMPIXPASA-N 450.974 2.580 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)N(C)C2CCCCC2)CC1 1300719231 SIBMQADEGLYALE-UHFFFAOYSA-N 480.588 2.841 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1300726923 UGFKWUKZGJRXCD-QNWVGRARSA-N 470.662 2.506 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1300762603 KNNZEYBIKCEURX-CEXWTWQISA-N 461.632 2.888 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1300862835 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483.613 2.630 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1508086157 YBNCJYFFZMOYQZ-GOSISDBHSA-N 483.617 2.696 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1508111208 XIEXLYQNJZXVOQ-GOSISDBHSA-N 462.595 2.597 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1508131417 MBHRVUFSQYATOG-LJQANCHMSA-N 484.626 2.882 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](CC)C1 1508139426 GPDXIHRNDWZPCQ-GOSISDBHSA-N 457.556 2.816 30 10 JFEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1508166923 GRSHZVLUNPAPGK-LJQANCHMSA-N 456.616 2.949 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1 1508172372 UNEUIMSQBBJHTN-UHFFFAOYSA-N 495.971 2.822 30 10 JFEE Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)c(=O)n1C 1510863737 HAYGRTWVCFJGPG-UHFFFAOYSA-N 479.972 2.657 30 10 JFEE Cc1cc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)C(C)(C)C)CC2)on1 1511963542 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C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594003803 HZUFFYJUIZBGTB-NASSWSRMSA-N 479.069 2.938 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1613441505 FDPSLBQJBIUYDL-VXKWHMMOSA-N 492.672 2.585 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 1625602931 ARFYSFWGIYOEBF-RTBURBONSA-N 454.596 2.916 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1636534021 WJPOYGKFCBGSNN-RDBSUJKOSA-N 453.889 2.892 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)n2N)c1 1643518312 BPLSUHUQOATTOG-UHFFFAOYSA-N 458.450 2.682 30 10 JFEE C#CCN(C(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1645454549 LCDBLHIABLRMQK-QGZVFWFLSA-N 453.539 2.841 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(Br)ccc(OC)c2F)c1 1666542228 OFQRZAOTJFKLAN-UHFFFAOYSA-N 455.305 2.837 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC(F)F 1689851471 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30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1705570704 STKCNCMPRRHRMZ-SFHVURJKSA-N 464.538 2.701 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705687273 BTCYUJHPCVSXLO-NTZNESFSSA-N 453.353 2.816 30 10 JFEE C=C(C)Cn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1705728303 FZGRNVZZVZZHIF-DEOSSOPVSA-N 455.559 2.965 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705898370 JMVSKMWTMGLXIH-UHFFFAOYSA-N 490.992 2.966 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1705929679 VVLKRMMGRLCDKV-FQEVSTJZSA-N 460.600 2.914 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H]1CCCOC1 1705938324 VMXPPOLAMGUKAF-IBGZPJMESA-N 457.600 2.745 30 10 JFEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)CCOC1 1710426891 FSYXLMBMPXOFLY-XMMPIXPASA-N 464.574 2.833 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)C(C)(C)C 1722282240 YCIMXISEOAQZGN-QLCIJSRNSA-N 464.661 2.552 30 10 JFEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722328911 XZXCYQBPHLTFSY-KRWDZBQOSA-N 457.376 2.985 30 10 JFEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722337666 BFGHCNHLLLSGKT-FQEVSTJZSA-N 482.654 2.735 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722346330 OZPNNCUVARYIKU-DVECYGJZSA-N 472.659 2.775 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1722369704 DUNODZSIORTBPX-SFHVURJKSA-N 489.598 2.745 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCn2ccnc2C)CC1 1722431837 SRWIDTVANGITDA-FQEVSTJZSA-N 463.586 2.777 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCSCCCO)CC1 1722435037 AJQRSKJRUNLWQR-UHFFFAOYSA-N 482.423 2.718 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2csc([C@@H](C)OC)n2)CC1 1722435210 HVSRGIJPPDANCV-QGZVFWFLSA-N 452.584 2.921 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1722441478 RBFHXJROHRKUQY-ZLNRFVROSA-N 499.704 2.924 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1722450004 XVTQJEONDQKEHB-XZOQPEGZSA-N 464.614 2.618 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCc2cnn(C)n2)CC1 1722450810 RLMOQRPONKXEOZ-UHFFFAOYSA-N 492.653 2.606 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](OC)C(C)(C)C)CC1 1722450930 TVPMUNKCDKACTF-QFIPXVFZSA-N 483.613 2.893 30 10 JFEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722518906 UXBQVIXKWLMLDK-UHFFFAOYSA-N 475.391 2.858 30 10 JFEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1722649265 XVZKHRCMIQSJAU-UHFFFAOYSA-N 483.034 2.813 30 10 JFEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)nn1C 1722665862 PESUPDKWBOAZAR-UHFFFAOYSA-N 454.604 2.815 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722665981 DJJLJOFLHYKOMY-FHWLQOOXSA-N 474.606 2.619 30 10 JFEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1722687060 GBCYEOPBTLFXLZ-HKUYNNGSSA-N 457.648 2.637 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN2CCCC2)C1 1722718559 LMHLHLYRSXDNFQ-RTWAWAEBSA-N 490.649 2.854 30 10 JFEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1722738047 ADDZYEJROLYZKP-GOSISDBHSA-N 477.635 2.839 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncnn2C(C)(C)C)c1 1724279199 CGBJEEKQKUNAPX-SFHVURJKSA-N 450.547 2.598 30 10 JFEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1728180432 HJUXJXNNVDNZEO-OAQYLSRUSA-N 477.613 2.818 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCC2)CC1)S(C)(=O)=O 1728333115 DWZBPVHTACWAQR-HXUWFJFHSA-N 499.685 2.799 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCCO[C@H](C)C1 1740614911 KPVIEINSUAUOAZ-UXHICEINSA-N 460.623 2.920 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1740677465 KMQCKOIMSBFYIJ-QUCCMNQESA-N 499.616 2.750 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740677784 QJECMRGGJSOZRI-MHZLTWQESA-N 498.647 2.735 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(Br)cn2)CC1 1740692924 PHGJLBFQYKEFAO-UHFFFAOYSA-N 479.386 2.621 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCCO)CC1 1740693152 VKOOKHUAAAWREQ-UHFFFAOYSA-N 462.392 2.634 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCC(=O)N(C)C)CC1 1740697609 LLIOHQSJFVMKSM-GOSISDBHSA-N 454.644 2.755 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCC(=O)NCCC)CC1 1740703572 XQBWVPKSYCTJHO-UHFFFAOYSA-N 476.625 2.630 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1740717436 RYWHGXVHCVVCFS-UYAOXDASSA-N 460.625 2.897 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740720025 OVWCRIXQCRKKFM-HXUWFJFHSA-N 468.583 2.708 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CCOC 1740758063 UEQZLDCFXUPMDJ-UWJYYQICSA-N 463.542 2.942 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740764712 IYPUGBXTKBGXOF-FXTUREPZSA-N 475.634 2.676 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740778672 QKSPHHVESXGVBM-UHFFFAOYSA-N 453.547 2.942 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740789578 ODYBVTBMVJTIER-KRWDZBQOSA-N 468.023 2.957 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740790182 VQDKIJFGLDEPHM-SFHVURJKSA-N 478.391 2.560 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1740880989 SZCSJLSJHRPMDA-XMMPIXPASA-N 474.005 2.944 30 10 JFEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740945653 IWJICFGZENMTRD-IEBWSBKVSA-N 458.010 2.996 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1740962525 GSXAFJCZCIDFKT-UHFFFAOYSA-N 468.577 2.981 30 10 JFEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cs1 1742600316 BKESSTLYMIWNGN-GOSISDBHSA-N 485.639 2.590 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1748702875 CRDDDTSUFJWVPN-UHFFFAOYSA-N 498.575 2.683 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748815431 QITNONAXRQJNCR-BVSLBCMMSA-N 471.627 2.671 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(OC)CCOC1 1748888982 DAZZURCRZWRFGO-QFIPXVFZSA-N 473.371 2.985 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748894710 BFUJVTBDFVFQLR-OAQYLSRUSA-N 459.516 2.903 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O 1748949592 FMWFSUXOPJESOQ-MSOLQXFVSA-N 464.563 2.611 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCc1cnc2c(Cl)cnn2c1 1748956859 MDUNGKCRKMMACL-UHFFFAOYSA-N 465.945 2.979 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1748986675 GMEOLXAJDKRXGT-LJQANCHMSA-N 472.366 2.907 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749095730 ANEKGCQIVIZGBO-UHFFFAOYSA-N 470.375 2.611 30 10 JFEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](OCCOC)C1 1749102163 JZKUUKXRZUMXCM-SFHVURJKSA-N 492.422 2.602 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749133549 NCNWMYBEGFWTEE-BKULYWANSA-N 454.619 2.792 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)cc(C)c2)CC1 1749302987 CMPFYIUNAGCLDV-NRFANRHFSA-N 459.616 2.627 30 10 JFEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1749398328 DNWZQTFVWYAGET-UHFFFAOYSA-N 450.547 2.802 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1749427486 QVEVAFAJQFGNGH-GOSISDBHSA-N 478.018 2.649 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749591013 LQWDDPZPNHPXJM-IBGZPJMESA-N 470.599 2.758 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1749727142 NXENIBPGLMKKKL-WMLDXEAASA-N 451.980 2.598 30 10 JFEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC(=O)NC2CCCCC2)CCO1 1750387873 DEBGRXCLLYFIKK-GOSISDBHSA-N 456.522 2.564 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1750490134 AMQDFTIYXGEWHP-WOJBJXKFSA-N 479.585 2.918 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2.936 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2([S@](C)=O)CCC2)CC1 1760271355 VROWLIVKWKDUMZ-UMSFTDKQSA-N 481.666 2.720 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2nccnc2C)CC1 1760285788 QYMVKRXONQTCSK-UHFFFAOYSA-N 467.574 2.788 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760311003 HWRUEUPEHRQUMV-LBPRGKRZSA-N 455.382 2.819 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1760324555 KVJXQBTZCIFROA-XUZZJYLKSA-N 482.629 2.905 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1760397172 NXSZPVAIDHRXFR-OXJNMPFZSA-N 464.611 2.733 30 10 JFEE C=CC1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760404336 AXACUFLVIMOTOO-UHFFFAOYSA-N 453.678 2.792 30 10 JFEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1760405561 XEXSZBQFWJZTRA-UHFFFAOYSA-N 483.642 2.841 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760409790 HHIIGUFVUXXHKT-UHFFFAOYSA-N 470.593 2.667 30 10 JFEE 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495.425 2.827 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1286488578 OTGZADVYCHPFKZ-KDYSTLNUSA-N 495.624 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2C(F)(F)F)CC1 1286492814 JKAZJEMQJDPHJX-GOSISDBHSA-N 461.488 2.815 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286510844 CDCTYYOQNONJOT-UHFFFAOYSA-N 483.686 2.981 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286546103 GGXUBTCBTXRJLL-XJUOHMSHSA-N 488.677 2.726 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1286549023 VXJOXVCKYSFTCQ-UZLBHIALSA-N 465.558 2.683 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286550675 JNNIWNYLZGLHPJ-PKICCIJUSA-N 490.626 2.955 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1286564048 LZWWROBHABINSN-WIOPSUGQSA-N 467.614 2.730 30 10 JFEE 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457.600 2.994 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cccc(C(F)(F)F)n2)n1 1507717547 WCORGRGQRVPJPT-KRWDZBQOSA-N 489.502 2.727 30 10 JFEE C#CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507758607 QJQXPACRULHWHD-HCXYKTFWSA-N 488.658 2.663 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507791697 QCRDJWABQUEEOK-HKUYNNGSSA-N 476.622 2.891 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1507795172 HFHXTNBEUNPVLP-QPPBQGQZSA-N 452.603 2.945 30 10 JFEE C=Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cc1 1507893163 CBDOAEGOXXIGEI-QFIPXVFZSA-N 484.626 2.627 30 10 JFEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507957842 LSPHCJLUKCTKOC-RDPSFJRHSA-N 482.629 2.535 30 10 JFEE C=CCCOCCn1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1507966913 ZDQRPWFBWIOKAY-OHUGHZGNSA-N 491.633 2.826 30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C)C1CC1 1507994329 ZPHJAOKAOUERPV-HOTGVXAUSA-N 453.609 2.638 30 10 JFEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OCC(C)C)CC1 1508081248 VYYGOMINITWDNF-UHFFFAOYSA-N 465.558 2.643 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC(C)(C)C1 1508099095 UHOXQPIFEYOGIW-INIZCTEOSA-N 464.636 2.984 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)[C@H](C)CC)C1 1508117265 LGAVYOFDOYWIJM-RTBURBONSA-N 465.602 2.704 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1508416165 DSTYLNIBEZUBJR-KURKYZTESA-N 464.574 2.689 30 10 JFEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1515580785 HMFJRUSMRZLYJJ-QHCPKHFHSA-N 451.619 2.850 30 10 JFEE CCN(CCCn1c(COc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1515709763 IAQARFBSVDMSCP-QFIPXVFZSA-N 478.594 2.798 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccc(C)c(F)c1 1539023244 UAOPTGDXIHMYFC-GOSISDBHSA-N 459.529 2.852 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCC[C@H]2C)c1 1539043865 VLNOSLUKLWNZSU-KNQAVFIVSA-N 477.613 2.550 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539045202 REVBGMREBOSCDY-UHFFFAOYSA-N 491.640 2.695 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2(O)CCOCC2)c1 1539045326 BUQUJOWCTUFROF-UHFFFAOYSA-N 465.579 2.528 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539055987 ORTPQJFRSLQMRI-QGZVFWFLSA-N 455.994 2.586 30 10 JFEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1539066266 SJJCBZCUDQPFRZ-RTBURBONSA-N 453.522 2.572 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539097296 IMELDAZVBLLRRA-MRXNPFEDSA-N 491.411 2.756 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(NC(C)=O)cc1 1539176514 PSGWFZDODHRETJ-UHFFFAOYSA-N 458.570 2.723 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1539204072 YLKUPHHBOACAHC-OALUTQOASA-N 454.600 2.858 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539230077 JYQBBWPWBFPYBY-OAQYLSRUSA-N 486.638 2.917 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)c1ccccn1 1539245236 BSYYPXOORFMDQT-UHFFFAOYSA-N 476.606 2.641 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@H](O)C1 1539401170 VUQGSBNBQVJFTG-WBVHZDCISA-N 450.381 2.683 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ncccc2N(C)C)CC1 1539441537 SIBPVSWNBZZXSQ-UHFFFAOYSA-N 475.597 2.617 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1539470690 VTUIMCDNWOGTRI-GGAORHGYSA-N 463.582 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(Cl)cn2)CC1 1539481724 NEDSFWQDQGRHSP-LJQANCHMSA-N 472.977 2.613 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1539488530 AIMOAPVJFYPTDA-IFMALSPDSA-N 468.602 2.772 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1539557483 VGOLVCWVTNOOSO-HVETUWLQSA-N 463.003 2.733 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1539752046 ABFKQJXMBVXIJO-UHFFFAOYSA-N 451.575 2.784 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539924740 YEGDRXGZRNSUSP-HXUWFJFHSA-N 451.575 2.633 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1540146373 DYGGLVHFECHCNF-SFHVURJKSA-N 451.618 2.665 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1540535448 OASIBPNONAVZGX-UHFFFAOYSA-N 451.571 2.598 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1540873395 WRFBZYOWUTUUKE-RBBKRZOGSA-N 451.619 2.657 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876172 JFFPFTYWPAGIQT-ATIYNZHBSA-N 488.677 2.713 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 1540879971 STHRKMGLKNGCHB-UHFFFAOYSA-N 464.570 2.628 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)C1 1540892007 CVBABTRIMAQMRQ-RTBURBONSA-N 452.621 2.558 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C1CCCCC1 1540899932 FMKSSSKSBXPWAN-UHFFFAOYSA-N 470.603 2.681 30 10 JFEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OC)CC1 1540913126 JBBIKNZVEHBRMR-UHFFFAOYSA-N 453.572 2.938 30 10 JFEE CN(C)CCOc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)c1 1552870059 CDBGJRRYOLNFCJ-XMMPIXPASA-N 497.600 2.700 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1555419978 BDQMEFFFZYPQGV-WMZHIEFXSA-N 468.583 2.947 30 10 JFEE C=CC1(CC(=O)N[C@](C)(Cn2cnc3ccccc32)C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1558576889 VEOKPBLQTBZYEJ-HSZRJFAPSA-N 456.543 2.897 30 10 JFEE CCn1c(CN[C@H](C)c2cccc(C#N)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1560135206 GKTYRTOGVYVVAU-QGZVFWFLSA-N 453.568 2.800 30 10 JFEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)s1)[C@H]1CCOc2ccc(Br)cc21 1586216672 PSEPHDUMGKJGLK-ZDUSSCGKSA-N 455.355 2.757 30 10 JFEE CSc1nc(C2CC2)cc(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1C#N 1587246854 IAFBWMJQYVZPKK-OKILXGFUSA-N 454.556 2.637 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCN2CCOCC2(C)C)c1 1587684563 YZJPAFDRIAWTOE-LJQANCHMSA-N 452.603 2.959 30 10 JFEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(Br)ccc1F 1587759045 NDEGNUYGKLJZDO-GOSISDBHSA-N 478.366 2.933 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588039827 FQCVVXYEPGYPJM-REWPJTCUSA-N 480.638 2.564 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1588109553 HPSLQASPNGAPCW-IFMALSPDSA-N 458.570 2.835 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccn(CC)c1=O 1588173678 GZJDPAQHCSTEQV-UHFFFAOYSA-N 456.550 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1588923498 BGDIYNZQJNFXLM-OAQYLSRUSA-N 486.624 2.612 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1588929581 DDRAKXNNROXKNP-CEMLEFRQSA-N 457.619 2.733 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1589506207 STLJRGKYFIMRMA-LFAGZIFBSA-N 496.656 2.972 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1589577212 AQSNHFFRMANHQL-FXAWDEMLSA-N 471.587 2.654 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1589663350 LQCGWGRWPUMYES-INIZCTEOSA-N 455.531 2.670 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)OC(C)(C)C1 1593735280 BFXSTLYIDWUCPX-QGZVFWFLSA-N 452.559 2.788 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1594013357 GFLJWFLTCBUWOV-MSOLQXFVSA-N 482.651 2.692 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1594461174 LEZOVDMLUWIIPP-HSZRJFAPSA-N 457.600 2.810 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1594732969 KBRXCCSECCHUPE-LEWJYISDSA-N 490.649 2.854 30 10 JFEE C=CCCOCCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C 1594829622 NKQDKBZWKKZISY-LEWJYISDSA-N 460.667 2.985 30 10 JFEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1595308030 STYUGUZPSOBSIW-LJQANCHMSA-N 476.622 2.686 30 10 JFEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1595405238 GEXCIMNCSJOHGZ-LPHOPBHVSA-N 457.531 2.707 30 10 JFEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1595411450 PYZYBTQGSBPMEM-KRWDZBQOSA-N 455.538 2.997 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H](OC)C1 1595544401 HOBKVEGGIYBJSO-IPMKNSEASA-N 476.622 2.556 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1595714434 NUUDBRUCMPYEDJ-MRXNPFEDSA-N 467.521 2.620 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@@](=O)C(C)(C)C)C1 1595722554 KYCTXXQHWFSNNC-NMWVFERUSA-N 487.674 2.781 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC2)CC1 1595823671 PZSNTAPMRVABAH-UHFFFAOYSA-N 473.643 2.749 30 10 JFEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1 1596769005 CKTAHNVCAYPERX-UHFFFAOYSA-N 450.568 2.936 30 10 JFEE C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)o2)cc1 1613612268 ZETKYAMGNCHMRN-RDJZCZTQSA-N 451.570 2.721 30 10 JFEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCc2ccncc2)c1 1620347700 AKHHSQPEYYXVIT-IBGZPJMESA-N 469.471 2.959 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1628432204 WZRZSIXVSDAAFY-IBGZPJMESA-N 451.571 2.642 30 10 JFEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 1630579094 CVFWKMNVXIZBBK-ZDUSSCGKSA-N 451.426 2.791 30 10 JFEE C#CCOc1ccccc1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1634334089 QSCDZEIGOFBHEL-UHFFFAOYSA-N 454.552 2.890 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1681285725 RDEAHUJZBUWHDR-YRPNKDGESA-N 464.607 2.657 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2sc(C)nc2C)c1 1689873382 GMSXIRLPDMUTCG-UHFFFAOYSA-N 491.621 2.773 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC(C)(C)C)nc1 1689961487 ZVEXCZOFBNTBKD-UHFFFAOYSA-N 457.538 2.882 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1689981781 AZWICMRXJBBSOD-BHIYHBOVSA-N 488.610 2.959 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1689986915 ZQFQNQNRYIADRV-MRXNPFEDSA-N 489.960 2.838 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1689993382 BUVOYQIWPUDAMB-NVXWUHKLSA-N 469.583 2.696 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccccc2)CC1 1690083004 WQDFHBCJMOTSHQ-UHFFFAOYSA-N 460.630 2.812 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccnc(-n2cccn2)c1 1690095573 VMIFOTJRDCHEDY-UHFFFAOYSA-N 495.385 2.761 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(O)(CC)CC)CC1 1690122339 NXPLHODLQHOUHT-UHFFFAOYSA-N 477.613 2.542 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(OC)nc2)CC1 1690135550 ZBPJLGZIKSHAJS-UHFFFAOYSA-N 464.595 2.786 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCN(CC)C2)CC1 1690138049 QUBNWNISZDQQIT-PMACEKPBSA-N 482.604 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(CCOCC)CCC2)CC1 1690142499 OZSXAHZTITYTQY-UHFFFAOYSA-N 450.587 2.903 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690177542 YTGTVRXCPZTYRD-FQEVSTJZSA-N 469.655 2.933 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 1690236151 JGBKEUILJBGCDJ-AZUAARDMSA-N 470.574 2.742 30 10 JFEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690292639 HWVLHUIJWRMVSE-UHFFFAOYSA-N 452.603 2.610 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1690361439 UIRYIYIKWMHIFZ-FQEVSTJZSA-N 452.559 2.739 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690432887 NPAHALRAARCYAJ-CTNGQTDRSA-N 494.706 2.524 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690570016 SDXQNCVWQDZDJN-QFIPXVFZSA-N 460.531 2.728 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690632793 QCQIIAKPVQQLNE-UHFFFAOYSA-N 484.420 2.810 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690658902 CYZFIJLXCVGUFY-OAQYLSRUSA-N 465.602 2.514 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(C)(C)C)CC1 1690665653 LDMPYEZASUHPBB-UHFFFAOYSA-N 491.434 2.939 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nccc(C(F)(F)F)n2)C1 1690687905 KYZCGBSHGPKVDH-IIBYNOLFSA-N 482.507 2.763 30 10 JFEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(=O)(=O)Cc2ccon2)cc1 1694506430 CNUGWSLGVWSRPK-HSZRJFAPSA-N 483.598 2.745 30 10 JFEE CCc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)s1 1694530240 GPGHQQYXNZEOPU-UHFFFAOYSA-N 493.637 2.611 30 10 JFEE CCCNC(=O)c1cccc(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1695404423 HVWHYWRVNOWJKX-UHFFFAOYSA-N 489.628 2.830 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1705492033 KSZXCUTUEMOFFI-ICSRJNTNSA-N 496.612 2.763 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1705517350 UISXLWZGJXUFHS-FQEVSTJZSA-N 471.627 2.984 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1705562704 IBHZRRDXWINVST-ZBFHGGJFSA-N 469.032 2.985 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1705610821 FXPICXSLZIAFSS-RXVVDRJESA-N 464.570 2.747 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cc(F)ccc1N1CCOCC1 1705627159 XISKYGBWUIZDDX-UHFFFAOYSA-N 464.545 2.759 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1705635424 YNUJEAOMRXFNQS-BVAGGSTKSA-N 484.620 2.516 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705641826 VPKYCHDQBRKMJH-RDGATRHJSA-N 451.615 2.888 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCN(CC)CC1 1705670475 WASBYVZZHKGUSV-NTKDMRAZSA-N 451.575 2.871 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cnn(C)n2)CC1 1705777335 FQUOPIPBUMGXQO-UHFFFAOYSA-N 455.588 2.512 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705810572 BEYDLAIMNNQWHC-UHFFFAOYSA-N 451.491 2.838 30 10 JFEE C=CCCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705824722 YSBMAQZNTNEBGI-JOCHJYFZSA-N 457.535 2.526 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1705878476 PXTIUOJYPOMYHK-NRFANRHFSA-N 452.603 2.575 30 10 JFEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705910551 FWLNSFIKSKRFRP-UHFFFAOYSA-N 494.640 2.955 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705912601 OKHOBNHAXCVRNB-IBGZPJMESA-N 484.626 2.994 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1705936552 SZJOCJTXBQFQJF-FPOVZHCZSA-N 495.045 2.986 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1Nc1cnn(C)c1 1705938240 RVTJLWSBBUEQDO-UHFFFAOYSA-N 481.376 2.698 30 10 JFEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705943424 AGIGEZSTTXTKKF-UHFFFAOYSA-N 452.588 2.693 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1706246123 IAWAPXBJGUPOOX-KBMIEXCESA-N 452.603 2.913 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nc(C(C)(C)C)cs1 1706878087 FMCFDFKMGNDLGQ-XOBRGWDASA-N 465.649 2.821 30 10 JFEE Cc1cc(C(=O)N2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)c(C)o1 1707041467 BCVMCGDWIPJMSD-GOSISDBHSA-N 491.596 2.851 30 10 JFEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1OC 1711749069 IACXBRHRFMSAEO-NRFANRHFSA-N 495.628 2.645 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)cc1OC 1711756508 HFTLNPWXHQXKDI-XFAGBWLFSA-N 472.565 2.904 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722344015 SEIZNLXWBGYOEY-UHFFFAOYSA-N 497.445 2.701 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722364502 HSGFFMXHAFVGOF-NRFANRHFSA-N 478.062 2.879 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1722367507 WJGFDKGUTWJCCV-JQVVWYNYSA-N 488.610 2.623 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722370899 RQNFYGSYEIMLLS-XZOQPEGZSA-N 499.681 2.833 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722371178 UMNVVRUOQNHDHS-PKTZIBPZSA-N 499.681 2.913 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1722424231 GUGMYJRQKNTXFP-QHCPKHFHSA-N 462.598 2.661 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722430670 HYKVSCAVHPYVOE-YADHBBJMSA-N 485.654 2.757 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)CC1 1722451174 ZHQPHARVHMQTBL-UHFFFAOYSA-N 479.610 2.648 30 10 JFEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722456619 ZHMKVUOZKXDEDX-UHFFFAOYSA-N 468.671 2.867 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)NC)CC1 1722465825 TYAUNXPWCMSGSC-UHFFFAOYSA-N 483.425 2.992 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722480211 ONLNKIQOJQEJLG-QGZVFWFLSA-N 480.411 2.644 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722551054 RCFJHWNETAVTPS-VDGAXYAQSA-N 451.015 2.651 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722623886 NGFMQLZYJPJGRN-HNNXBMFYSA-N 484.420 2.703 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1722655086 DOGUQPKTAFJZGW-VWLOTQADSA-N 499.637 2.819 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1722681808 SVNZLZYQJFJXFI-PMACEKPBSA-N 478.638 2.567 30 10 JFEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722684716 QWJCFZZNRJAIHS-UHFFFAOYSA-N 451.575 2.821 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722694114 LSSKDYJOWQPBCH-WJONJSRFSA-N 490.402 2.783 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1722738143 BROGFYRBMKRWEK-HXUWFJFHSA-N 495.715 2.718 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722738650 NCNDCJLCVKUDCV-GCJKJVERSA-N 497.086 2.937 30 10 JFEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1722807973 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471.052 2.791 30 10 JFEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)N(C)C 1303736252 IEIXVTMHBXNOSD-IBGZPJMESA-N 486.642 2.617 30 10 JFEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1315533668 FZENWKRSHLGSBN-NBGIEHNGSA-N 468.602 2.843 30 10 JFEE COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)N2CCCC2)c1 1315546395 HOFFJLAQZNJNFQ-YYWHXJBOSA-N 451.575 2.813 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 1358929978 LQTNYYVJQXRTQS-FQEVSTJZSA-N 481.601 2.722 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358958260 KHKLOSJOSNTUTE-SEIBCYHCSA-N 494.665 2.954 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358960936 OSDAVFJLAJPENL-MJGOQNOKSA-N 469.542 2.573 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358962880 YPUZJBDROUHLRA-CTNGQTDRSA-N 458.584 2.512 30 10 JFEE 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C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 1359303635 WCDWYZNVONQMIE-UHFFFAOYSA-N 464.536 2.830 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncccc2N(C)C)C1 1359314900 JXFXVKOSFDOKAC-IBGZPJMESA-N 482.610 2.639 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C)C1 1359327993 QESQYVCAXGERBD-CVEARBPZSA-N 454.980 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1359328088 STTPKRSPRGKHRM-OAQYLSRUSA-N 481.626 2.537 30 10 JFEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1359340955 GZJOCBUMSUFGAF-UHFFFAOYSA-N 491.687 2.605 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccncc2)C1 1359556956 ACDKZMHQRDHLFB-WOJBJXKFSA-N 467.574 2.759 30 10 JFEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(=O)(=O)CC 1507554976 BKEOLBJOMMOMCF-UHFFFAOYSA-N 456.410 2.721 30 10 JFEE C#CCCCn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507599425 PBMVLSBZZHGCCW-AQNXPRMDSA-N 460.623 2.619 30 10 JFEE 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455.559 2.906 30 10 JFEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1OC 1547952679 HVVVVGABBVYJJT-RPWUZVMVSA-N 454.575 2.549 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(F)c1F 1548174616 GETPCJFZMPQAFL-MRXNPFEDSA-N 468.512 2.712 30 10 JFEE CN(C)C(=O)[C@H]1CN(C(=O)c2cc[nH]n2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376639 DJJAUPWJTIMVMF-GOSISDBHSA-N 474.487 2.747 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 1585657120 RZOKQCJFMBOGJR-INIZCTEOSA-N 451.589 2.916 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1587803419 ACMGMWFNMXYBBK-DEOSSOPVSA-N 471.005 2.576 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1588054230 MCSZNHRKBOWMEL-ZEQRLZLVSA-N 499.681 2.689 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588074624 PDPQLEYQOWDCNN-DOIPELPJSA-N 479.691 2.554 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCCCC1 1588140201 USVJUZQLMKNJFQ-QFIPXVFZSA-N 460.630 2.647 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CCCS1 1588628783 OVRMUQOKPIZVBH-QHCPKHFHSA-N 452.584 2.564 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)(F)C(F)F)CC1 1588801168 XTICLZNVMAYJCJ-UHFFFAOYSA-N 491.493 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1588885555 XHKWCVBOJSYNGB-NRFANRHFSA-N 478.641 2.951 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(F)cccc2Cl)CC1 1588924336 ZRCHLMOMLXAENR-UHFFFAOYSA-N 453.909 2.542 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCOC)CC1 1588961610 GKVBLBAMIISJRV-UHFFFAOYSA-N 453.587 2.767 30 10 JFEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCCOC)CC1 1593635995 DKJSZCXDMZRIBF-OAQYLSRUSA-N 455.559 2.736 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1593747340 UVXKTTZOKNZINU-VQTJNVASSA-N 454.575 2.933 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1594813684 WHKBTTVFGITHGE-NRFANRHFSA-N 455.559 2.780 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1595218065 GOBPFMCOKYMJGT-GOSISDBHSA-N 469.970 2.630 30 10 JFEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1595664398 CYKPIPPBZPEEDL-SFHVURJKSA-N 480.594 2.598 30 10 JFEE CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1597019199 CVZGCRZXYSWLKH-INIZCTEOSA-N 459.547 2.844 30 10 JFEE COc1cccc(CC(=O)N2CCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 1615321739 DBPOZHYXMZBBKY-LJQANCHMSA-N 452.530 2.856 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1617267067 ATBMDLHGDJOFGQ-GOSISDBHSA-N 496.641 2.637 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](Cc3cccc(F)c3)C(=O)OC)ccc2c1=O 1632807084 MNOQRCPXWONGFL-MRXNPFEDSA-N 455.511 2.772 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 1636270262 BVRKVTRKMOHFNK-SFHVURJKSA-N 456.506 2.608 30 10 JFEE CCC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1649634318 AHQXCUIXOFAMPJ-LEWJYISDSA-N 452.559 2.964 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)[C@H](C#N)C1 1679943730 ATEGAWZNIQCKBH-NHCUHLMSSA-N 452.559 2.535 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1689860501 BBMHOYOSHJETEH-ZJSXRUAMSA-N 461.614 2.889 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1689864565 DENIWSMFNLZUSL-PKOBYXMFSA-N 464.549 2.955 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCOCC1 1690052348 GSFIPYGZARTAMP-UHFFFAOYSA-N 460.626 2.532 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(-n2cncn2)nc1 1690075518 NAZDUPNNKXARND-HXUWFJFHSA-N 491.600 2.876 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nc(C(C)C)cs2)CC1 1690113871 WVTBWZKDRNLWSH-HSZRJFAPSA-N 458.632 2.702 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(C)COCCO2)CC1 1690115937 XKULJIWHGYCCCW-NRFANRHFSA-N 494.821 2.922 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690158068 WJWRPJXVWHSHEQ-SFHVURJKSA-N 462.417 2.595 30 10 JFEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCOCC2)c1 1690269679 DCBDZAAYHZECEX-UHFFFAOYSA-N 452.603 2.683 30 10 JFEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690273035 ADXPVKSMQAZIEI-UHFFFAOYSA-N 472.565 2.639 30 10 JFEE C=C(Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690326080 RGSNEGFABDBFHU-XUZZJYLKSA-N 489.642 2.550 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1690451584 KHAFRSNNGTTZKM-IXDOHACOSA-N 470.640 2.594 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC2(CCOCC2)C1 1690473906 KVPXIMHESDGUBP-UHFFFAOYSA-N 475.615 2.547 30 10 JFEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690491807 JMEYYTUFPAKRBN-UHFFFAOYSA-N 461.570 2.952 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1)C1CC1 1690544852 CTTZRJSVWLEVHZ-FQEVSTJZSA-N 482.585 2.889 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1690554272 ZPAMJJSEVGZZJY-UHFFFAOYSA-N 495.672 2.741 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2nc(CC)ns2)CC1 1690720921 VBDXDJYOEVAPIT-UHFFFAOYSA-N 487.655 2.595 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1695063732 DCPUMTNDHQCLCK-IFMALSPDSA-N 479.629 2.923 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1697928748 DTLUIMDIZFNSJP-VWLOTQADSA-N 479.560 2.773 30 10 JFEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705527543 BAYRHVGVBPEUNB-KRWDZBQOSA-N 497.401 2.961 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705557099 LTXBXZLRJQTFOY-IFMALSPDSA-N 471.627 2.748 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1705562595 GDZOHNIPXFCURM-KRWDZBQOSA-N 464.950 2.711 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCN(C)S(=O)(=O)CC 1705606560 XPQZRWZTDIPBLF-UHFFFAOYSA-N 468.421 2.839 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)SC)CC1 1705648655 VQNDGHPEZIMZDR-UHFFFAOYSA-N 496.685 2.560 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705700656 WXLOXGWLEFNNOL-SIKLNZKXSA-N 488.658 2.928 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705739272 AJUYEIOCORMYBA-IXFSTUDKSA-N 475.615 2.635 30 10 JFEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)COC)CC1 1705812580 FBLZJOKCQYPULZ-UHFFFAOYSA-N 478.391 2.977 30 10 JFEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705821483 YMKIKTDNSWZAFM-UHFFFAOYSA-N 451.619 2.755 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1705859941 KJWINAVSSNAZQL-GOTSBHOMSA-N 477.613 2.650 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1705910810 NNQHDYOCBAVJNW-ZJOUEHCJSA-N 456.543 2.615 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 1705928468 FIROMXBMCAKPIU-RBUKOAKNSA-N 476.622 2.731 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1705931461 PZPQYWNVGABPAD-OAQYLSRUSA-N 460.600 2.950 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)c1 1707169295 CBGZFFXFNWFQMJ-GBXCKJPGSA-N 456.566 2.763 30 10 JFEE CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1709434603 GGECTWQQHUTADG-XMMPIXPASA-N 486.020 2.917 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@@H]2CCCC[C@@H]2C)C1 1710344963 BKXVSOHAGVYUBS-VLCRHTCISA-N 486.642 2.930 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NCCC)c1 1722277051 KDVJWMMNIJJZIR-DFBJGRDBSA-N 453.587 2.965 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722358483 IDMFNZSWSLWNBB-RTBURBONSA-N 459.616 2.632 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722358980 OMZKCRATGDSEAP-LEWJYISDSA-N 461.676 2.999 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722368854 TWQSWNWTVIHBTC-LJQANCHMSA-N 483.594 2.899 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCCO[C@H](C)C1 1722375087 JQOCCFZCJAYVJA-HXUWFJFHSA-N 451.571 2.536 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cc(COC(C)(C)C)on2)CC1 1722438794 CAIDHMVRMIOISZ-UHFFFAOYSA-N 478.597 2.984 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H](OC)C(F)(F)F)CC1 1722449442 SGUJAJBTBMXLPV-QGZVFWFLSA-N 484.548 2.567 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722452104 RJZGJHYYVOCKPT-PKOBYXMFSA-N 476.599 2.550 30 10 JFEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722545597 JRZMHSKZIHQYOT-UHFFFAOYSA-N 473.965 2.740 30 10 JFEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722600382 NYPAQZUJEKKGDC-UHFFFAOYSA-N 484.630 2.558 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1722614272 IHCLLRZYOISVKD-UHFFFAOYSA-N 459.620 2.509 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1722664585 CQRYZTJIDKCJJT-OAQYLSRUSA-N 464.618 2.540 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722703886 KKVYQOXWWMRSSA-AREMUKBSSA-N 499.587 2.859 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1722725721 RDFUCYOPHRLTNM-SFHVURJKSA-N 475.615 2.752 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC1CCCCC1 1740551944 WSIGKDOWUXZJHU-QUCCMNQESA-N 488.633 2.883 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1OC(F)F 1740554055 VWEOTCNDLAWJHY-GDBMZVCRSA-N 468.526 2.687 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(OCC2CC2)c1 1740556854 GJDHBPVFMDZQKS-INIZCTEOSA-N 450.568 2.960 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCOc2ccc(Cl)cn2)c1 1740564784 XLAHLTZQNHGLMK-SFHVURJKSA-N 480.956 2.966 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC(F)(F)C1(OC)CCOCC1 1740614575 WMRGGIQBGLDCIY-UHFFFAOYSA-N 450.486 2.766 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1740624596 KDMYIZICYVAKHZ-VQTJNVASSA-N 477.656 2.610 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1740629404 MGUGZXULNPRZRQ-UHFFFAOYSA-N 469.549 2.529 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1740645068 FDZPKRNXFMTMFM-FQEVSTJZSA-N 462.554 2.570 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCn2cc(Cl)cn2)CC1 1740691041 SSCVTEYZVWBYMJ-KRWDZBQOSA-N 457.941 2.863 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740728696 JMDPLHISAHMEIO-WIYYLYMNSA-N 450.509 2.929 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740748910 MEDNZLXPMQFQMS-KXBFYZLASA-N 457.369 2.617 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740868793 SOBXPBRVAOUYCH-UHFFFAOYSA-N 451.556 2.916 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1740921444 UQKURWOKFPZFGN-NZQKXSOJSA-N 493.605 2.512 30 10 JFEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1740933279 MMTRBBZJLAWBFO-UHFFFAOYSA-N 458.588 2.926 30 10 JFEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740948387 XBKVXTIMDACCJY-QFIPXVFZSA-N 465.646 2.522 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1740965119 ZWEVEXCVNGAMEG-UHFFFAOYSA-N 451.575 2.763 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C1 1740981961 YIXCYSNNZMQUTK-MRXNPFEDSA-N 474.562 2.702 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1748717944 MKUBMBUMABCVKK-HXUWFJFHSA-N 496.616 2.507 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1748907559 WPRNTXGSRJOYHY-VSKRKVRLSA-N 482.629 2.770 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)nc2)CC1 1749003475 KWSYESULTRSFJH-UHFFFAOYSA-N 459.941 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1749008904 CRTSEIIOSXNJQR-QUCCMNQESA-N 469.561 2.745 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1749067696 WDKMXGLWDPBTLX-IUKKYPGJSA-N 477.631 2.572 30 10 JFEE 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Cc1ccc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1S(=O)(=O)NCC#N 553491071 FOBMEHBITUZYHS-CQSZACIVSA-N 450.358 2.920 30 10 JFEE CCOc1ccc(OCC(=O)N[C@@H]2CCNC[C@@H]2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 585829490 VLQDKKBMPRIMNX-XDFRUBORSA-N 468.550 2.858 30 10 JFEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CCCCC(=O)OC)c1 730724178 LAEPABDIYKNQFY-GOSISDBHSA-N 465.535 2.762 30 10 JFEE O=C(CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)Nc1ccccc1[N+](=O)[O-] 1084013322 GAQKXBGJABKDRN-UHFFFAOYSA-N 472.443 2.894 30 10 JFEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1 1084276311 GDQCOZHHSGHJNV-UHFFFAOYSA-N 464.555 2.940 30 10 JFEE C=C(C)COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1127057585 DYRKEKFQGIVPEC-CYBMUJFWSA-N 451.408 2.620 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1154475692 OZNOBGQFYCBGKR-QGZVFWFLSA-N 459.996 2.730 30 10 JFEE Cc1c(Br)c(C)n(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(=O)c1C#N 1161250077 AQDMMKRSSCSASN-UHFFFAOYSA-N 452.330 2.665 30 10 JFEE Cc1ccc([C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](C)S(C)(=O)=O)cc1 1193897106 ANHVEIBZQUGSRA-VGOFRKELSA-N 451.552 2.755 30 10 JFEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1264863965 RZTNMFAZTBEAEC-GOSISDBHSA-N 450.564 2.940 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286315085 UJYOFLRUHDNJLP-WOJBJXKFSA-N 468.989 2.912 30 10 JFEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286333536 KGCCSMPZQLXVLR-FQEVSTJZSA-N 468.627 2.850 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1csc([C@H](C)OC)n1 1286426342 SIPGEQSOVOSMOZ-HNNXBMFYSA-N 452.540 2.681 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1286458193 MJUWRVUWXRNLPM-QFIPXVFZSA-N 468.621 2.977 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(SCC)c1 1286462701 RYJZSJXIHPEPNM-UHFFFAOYSA-N 489.605 2.833 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC=CCC2)CC1 1286469912 OCNFFXKSYWGARH-HXUWFJFHSA-N 452.990 2.973 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1286474914 NHTRRKVMGPHPFN-QGZVFWFLSA-N 473.419 2.768 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286512802 XYTNREXSOJLZAF-DVECYGJZSA-N 467.595 2.869 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC[C@H](C(F)F)N1CCOCC1 1286527978 MKDXRVXNZGDYBL-UZUQRXQVSA-N 492.596 2.618 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286602045 SKSNKAADPZPWQA-UHFFFAOYSA-N 464.574 2.940 30 10 JFEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286603417 RWAYYKKSRHEUFC-UHFFFAOYSA-N 459.572 2.756 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286692526 IVKXMPXGUOKSQZ-IBGZPJMESA-N 490.630 2.877 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286789300 CFPVVGJDOYUJNT-DFIYOIEZSA-N 469.586 2.549 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1286795104 FGQPBGAZFKTBTJ-RXVVDRJESA-N 489.642 2.754 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC(=O)N2CCOCC2)C1 1286800417 KUIPPLYNCCUMMN-VXKWHMMOSA-N 453.587 2.850 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1286819678 RYTPHMZDAALOCU-UHFFFAOYSA-N 452.527 2.523 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1c(C)nn(C)c1C 1286821974 FNMYWUJUWCQIFR-UHFFFAOYSA-N 481.626 2.869 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CCO1 1288353055 HFVODHUERAJTKD-QFIPXVFZSA-N 466.586 2.850 30 10 JFEE Cc1ccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cc1 1289761707 AQYNODXJPVIYKA-IEBWSBKVSA-N 466.567 2.774 30 10 JFEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1299494757 GHMVYUQVLZGJIZ-UUOWRZLLSA-N 455.559 2.928 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC[C@H]1CC 1300299599 RRVIULWSIGCZKR-RBUKOAKNSA-N 457.648 2.961 30 10 JFEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1300357999 FFMWEHKTFVCLFG-UHFFFAOYSA-N 472.597 2.862 30 10 JFEE C#CCCCn1c(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 1300424029 ZCZVJYQUQDHHDY-XDNAFOTISA-N 467.636 2.720 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1300488658 FXFITIVDWJOKRR-LJQANCHMSA-N 467.595 2.935 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300490071 YUHNQGWHLGLASI-WBVHZDCISA-N 466.991 2.516 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1300501849 NWMMNHBDDYTOAF-WMZHIEFXSA-N 488.635 2.675 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(C(=O)OC)CC1 1300506779 YLLQFGKGDCONQJ-UHFFFAOYSA-N 462.554 2.698 30 10 JFEE C=C(Br)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300863128 IXISFKBTVXXJIS-QGZVFWFLSA-N 482.345 2.912 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1301060427 FXZWNPSOKLJLEL-KSSFIOAISA-N 465.904 2.576 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1301436182 SFNLCMWOVIAQJB-QGZVFWFLSA-N 459.616 2.913 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301484970 PKFLTUCVCZMFGQ-AEFFLSMTSA-N 470.643 2.738 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 1301520837 QOYUOQXIMPSLMV-NQIIRXRSSA-N 482.585 2.744 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H]1CCOC1 1301586598 UUMYYMXKXOYFQC-KRWDZBQOSA-N 457.556 2.674 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1301588033 BKYBMDANMLSWRP-JKSUJKDBSA-N 453.634 2.908 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCCC2)CCOCC1 1301955995 BZKGAJRSIPKQEY-LJQANCHMSA-N 486.642 2.589 30 10 JFEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1303270537 BTEZLEGFYSRYIJ-UHFFFAOYSA-N 453.635 2.952 30 10 JFEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 1307301269 GHPVWRQYJIIUIG-FOIQADDNSA-N 451.918 2.971 30 10 JFEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1)[C@H]1CC[C@H](C)C1 1316082705 HQFDNCOIUKSXNX-HKUYNNGSSA-N 450.547 2.547 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358892605 CMHFQDGQGKFPLV-QGZVFWFLSA-N 452.534 2.721 30 10 JFEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358923591 UNXHIDZGYLTRJW-ZDUSSCGKSA-N 477.388 2.655 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(CC(C)C)C1 1358946325 QKEKPALOGGYIMS-LJQANCHMSA-N 457.648 2.676 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1358959753 PEHYJNWWFUYPIQ-SFHVURJKSA-N 478.018 2.970 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1358960486 FVOLRZRVAISUID-FQEVSTJZSA-N 457.600 2.564 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cnn(-c2ccccc2)c1 1358999148 GPQVERNMCDQWLV-UPVQGACJSA-N 458.566 2.893 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)N1CCOCC1 1359002279 UMQNCAATDIHTBY-UHFFFAOYSA-N 450.568 2.695 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](C2CC2)N(C)C)CC1 1359031728 NQEZHMLUBZVPLU-NRFANRHFSA-N 487.446 2.812 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@H]2COCCO2)CC1 1359039149 YGMNHJBYGXRHSU-QHCPKHFHSA-N 467.614 2.715 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2nc(C)cc2C)CC1 1359043158 JFDZWVRICRZTIY-UHFFFAOYSA-N 470.581 2.686 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N2CCC(C)CC2)CC1 1359045077 VXYBLABTHRTLJX-RBBKRZOGSA-N 456.635 2.606 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(N)=O)C1 1359092896 HMYNKNVNYLUCCQ-FNXXIHLHSA-N 477.407 2.729 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1359107488 NQFRJRWDYJHGCY-QGZVFWFLSA-N 451.568 2.995 30 10 JFEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1359225564 CKSSIEUHYISFON-LJQANCHMSA-N 493.612 2.791 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1359256317 CCWIEPQNIPOHHK-JOCHJYFZSA-N 479.610 2.611 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)c(OC)c1 1359282357 YHLDWRBFIVOPOK-INIZCTEOSA-N 454.980 2.529 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc2c(c1)OCO2 1359293331 NIQQWEITADCVGN-UHFFFAOYSA-N 487.358 2.713 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1359303484 PZMWNCRPHWCLPM-UHFFFAOYSA-N 471.627 2.756 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)cc1 1359308230 HZIOORAAHUUPKR-QFUCXCTJSA-N 460.600 2.655 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@H]1C 1359308965 DNUADCVZEMEGSQ-BBWFWOEESA-N 465.645 2.832 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1359334663 NHYAKQWVKHTTTN-UHFFFAOYSA-N 484.688 2.549 30 10 JFEE N#Cc1ccc(-c2ccccc2)nc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1472991010 DMHLUXWMYCIKRL-UHFFFAOYSA-N 452.561 2.719 30 10 JFEE Cc1c(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cccc1S(=O)(=O)NC(C)(C)C 1476183840 GZYLHKIFPQNLTM-UHFFFAOYSA-N 456.572 2.693 30 10 JFEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1492718310 AGROSQKZXNOGEZ-UHFFFAOYSA-N 499.641 2.929 30 10 JFEE CN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1503507013 AKQNSHPIVXPOIT-KRWDZBQOSA-N 456.597 2.796 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CCN1S(C)(=O)=O 1505285764 CZAMWBSEVSOMKV-KRWDZBQOSA-N 486.623 2.503 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507629393 SSFDFWFIMWFKGY-SFHVURJKSA-N 472.542 2.864 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CCCCC1 1507648581 PVZVIYXGMKIXFG-DEOSSOPVSA-N 468.627 2.642 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1507673319 UDZHJEHLVOSYGE-QFIPXVFZSA-N 455.566 2.656 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1507725175 QKGWDJGWUUKVSK-PZJWPPBQSA-N 465.602 2.741 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507797989 RAKPKOKYPZVKIU-YLJYHZDGSA-N 463.604 2.688 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCS(C)(=O)=O 1507806194 MCECAYPVZOVHKI-KNQAVFIVSA-N 462.616 2.936 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507806533 SNNZXZKVFBKFRA-JYFHCDHNSA-N 495.672 2.626 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 1507808420 QRGJODWLCXPCJS-YKSBVNFPSA-N 464.570 2.769 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccc3c(c2)OCCO3)CC1 1507878406 ANXDJJHEVYSXTG-QGZVFWFLSA-N 475.615 2.794 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(C)C)C(=O)C1 1507957849 LUHMQRMFIGKXHG-UHFFFAOYSA-N 479.423 2.943 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)[C@H]1CC 1507967719 MSIAOBJLIGTVAQ-RTBURBONSA-N 476.622 2.700 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1508097564 JAASXQWDYAPKSK-KRWDZBQOSA-N 499.456 2.942 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508162990 SCMDGJNJYPMWMC-GOSISDBHSA-N 461.599 2.560 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2ncc(C)s2)C1 1516022350 FJALEAUVVRWDRR-HNAYVOBHSA-N 485.639 2.903 30 10 JFEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1517589983 HXGPXNQAVGFQHF-LPHOPBHVSA-N 467.574 2.692 30 10 JFEE C=CC[C@]1(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCCN1C(=O)OC(C)(C)C 1526327003 YJVDTBCSWVRECG-KSFYIVLOSA-N 450.557 2.683 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1c(CC)nn(C)c1OC 1538983299 PURUCTHWZLVRBV-OAHLLOKOSA-N 468.558 2.782 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1539148605 QTYMKNVEDAGUDS-DSGGYQJVSA-N 454.918 2.667 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1539218912 AJCCSRCGTGFNIX-SFTDATJTSA-N 472.611 2.842 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1539220931 XEIHYTDSSGQLBS-MOPGFXCFSA-N 481.663 2.654 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 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C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286512805 XYTNREXSOJLZAF-NTKDMRAZSA-N 467.595 2.869 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1286570401 YAPDGXBSHIRESE-CZIZESTLSA-N 488.390 2.975 30 10 JFEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1286652225 CJTUCDHASRYYSA-UHFFFAOYSA-N 457.600 2.563 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1286787428 FWAIXAIPWJFHCA-DOTOQJQBSA-N 466.355 2.994 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286793791 MFLJWAGARZFRRR-QUCCMNQESA-N 498.632 2.770 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCO[C@@H]1C(C)C 1288154367 GLQFGOHKPOMEEH-IFMALSPDSA-N 465.602 2.676 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1288725049 HSCTYSCCXCPLTE-MRKDIWJRSA-N 457.600 2.627 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(C)CCCC1 1288861732 COHBJQIEHOTDNR-SFHVURJKSA-N 471.631 2.667 30 10 JFEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1288918116 GMWGDNOVXGLETR-QVKFZJNVSA-N 465.526 2.824 30 10 JFEE Cc1ccc(O[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cc1 1289761709 AQYNODXJPVIYKA-MJGOQNOKSA-N 466.567 2.774 30 10 JFEE CCCOc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1294981194 CGEPIZMEBPOSOY-FQEVSTJZSA-N 496.593 2.584 30 10 JFEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1295335534 AVNSNKFSHJVKLB-UNMCSNQZSA-N 467.593 2.945 30 10 JFEE CCN(CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1295372335 DCUHKWGKLVJESG-HXUWFJFHSA-N 459.602 2.659 30 10 JFEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(S(C)(=O)=O)CCC1 1297175850 HOZRLPRIZXOSFW-UHFFFAOYSA-N 473.599 2.701 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H](C)N1CCCCC1 1300284369 RCVLUFPLFVBCIZ-VQTJNVASSA-N 472.659 2.918 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1300380792 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C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1589434850 XAPMTVZAPVZJJC-OAQYLSRUSA-N 460.376 2.839 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1589731464 KNWDOHAYFFQXGF-FQEVSTJZSA-N 470.599 2.643 30 10 JFEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1593914188 DOTBXLAFKBWVBF-UHFFFAOYSA-N 467.961 2.739 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCSCC3)cc2)CC1 1594013771 KMVVJCYKGWDSNO-GOSISDBHSA-N 476.672 2.646 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1594732970 KBRXCCSECCHUPE-NHCUHLMSSA-N 490.649 2.854 30 10 JFEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1595026761 RFDPMVFBGFQQNL-DEOSSOPVSA-N 477.606 2.767 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1595075504 GVPGAUGQMGVLJR-FQEVSTJZSA-N 483.594 2.833 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1595094128 OFMPEZYTEIRPEO-GYHWCHFESA-N 468.521 2.864 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(OCCN(C)C)c1 1608473325 DZSXDRHWHGASEJ-XMMPIXPASA-N 453.591 2.535 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1614909862 FMIUACBCCYBSMZ-LEWJYISDSA-N 484.626 2.527 30 10 JFEE C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)OCC=C)sc2C[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO 1616126980 FKKMSGRVAXRTEF-DBIZRQCHSA-N 475.611 2.775 30 10 JFEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(C(=O)N(C)C)CCCC1 1616958145 GCZKWHZIZNLVHS-OAQYLSRUSA-N 466.586 2.913 30 10 JFEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)CN(C)C 1623499025 MXWIOFHSRTWGQE-MHECFPHRSA-N 451.567 2.899 30 10 JFEE C#CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1625437028 WHWAYLNTJRFMDC-UHFFFAOYSA-N 457.508 2.955 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)ccc1F 1627345930 IQRLPAMZSRHBJF-UHFFFAOYSA-N 455.552 2.809 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N(CC(=O)OCC)Cc3ccccc3O)ccc2c1=O 1638529510 QHKMEMFOXYULAJ-UHFFFAOYSA-N 453.520 2.782 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)c1 1640223159 GQXPSNOSVWUWEM-FQEVSTJZSA-N 450.354 2.884 30 10 JFEE C#C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1640277209 XAHCBBQXEJXZCQ-CABCVRRESA-N 455.374 2.534 30 10 JFEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCN(C)CC1 1646422471 YJAQYQQWHYYFMD-UHFFFAOYSA-N 456.524 2.565 30 10 JFEE C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1652848509 AWGKLNDLASCTBM-QGZVFWFLSA-N 451.552 2.585 30 10 JFEE Cn1c(SCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)nnc1-c1ccncc1 1656069284 HCTPRHYNXRCCPA-IBGZPJMESA-N 451.531 2.517 30 10 JFEE C=CCCC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C(=O)OC 1664237634 JXOOIKIMSGWUNW-OAHLLOKOSA-N 459.362 2.534 30 10 JFEE C=CCN(C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1)[C@H]1CCS(=O)(=O)C1 1669077144 RQORYVOHTDUGBD-AWEZNQCLSA-N 454.936 2.786 30 10 JFEE C[C@@](O)(CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Br 1678168276 BAJSQBQTHNKRHM-OAQYLSRUSA-N 458.360 2.891 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1686055229 HRKQDMVAWVEBSJ-PZJWPPBQSA-N 452.559 2.581 30 10 JFEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(NS(C)(=O)=O)CC1 1689920652 GAZGBGADKCHUHR-UHFFFAOYSA-N 484.395 2.778 30 10 JFEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccsc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689988540 REYIWZPRWRCWFU-UXHICEINSA-N 461.657 2.927 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCn1cc(Br)cn1 1690026546 CZYTWOMYEMPSHG-UHFFFAOYSA-N 469.343 2.598 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)C2CCCCC2)CC1 1690129518 ZRAWTSUFNXAVFG-SANMLTNESA-N 451.615 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=C)Br)CC1 1690142900 XIFJCADRBGNFNO-UHFFFAOYSA-N 458.360 2.828 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690182967 IPNNOLPMXSPBCD-JOCHJYFZSA-N 468.671 2.748 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC1CC1 1690196019 VNZCKRLFGRNDTD-HXUWFJFHSA-N 480.432 2.863 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 1690239140 RYEUCSHZHRWNOG-PBHICJAKSA-N 479.379 2.905 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1690254930 LIKPJVSMVQJJOA-UHFFFAOYSA-N 454.575 2.799 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1 1690316296 CNLFXPUOWPCZPR-UHFFFAOYSA-N 460.648 2.775 30 10 JFEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1690445531 YPMVIJNIEFXJAH-HXUWFJFHSA-N 469.615 2.510 30 10 JFEE C=CCCCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1690496662 UXORQOPBTCEVKI-DEOSSOPVSA-N 457.550 2.998 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1690674778 FDNNDHADNPINKZ-FQEVSTJZSA-N 487.967 2.812 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](OCC=C)C2)cc1 1690679890 BXARAZXPXNSQQF-TZIWHRDSSA-N 458.584 2.575 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](CC)C1 1690682792 ZDVZKKVKILLZAG-JENIJYKNSA-N 463.604 2.505 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 1690697025 NNHNGIIBEKIPTL-ATZDWAIDSA-N 460.529 2.592 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ccco1 1692535399 CDNTXZHWGWQAMV-UHFFFAOYSA-N 453.934 2.909 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(OCC2CC2)c1 1694325980 GJGNILZIMQJMCQ-QHCPKHFHSA-N 455.538 2.871 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1696889838 DNEMZRDWRCUNJA-UHFFFAOYSA-N 496.019 2.611 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncccc2N(C)C)ccc1OC(C)C 1697255530 BTYAGPAILMJTHF-LJQANCHMSA-N 477.569 2.979 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705521941 QHGUTQZDFVJXDK-OTWHNJEPSA-N 456.591 2.868 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705562598 GHYRUUMDZLHFOJ-MJGOQNOKSA-N 494.061 2.964 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705575233 DGBQMVYUCWXHNR-GCOVDLRRSA-N 464.566 2.985 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](CC)N1CCCC1 1705598531 LFCNQUOZKFTQHY-QHCPKHFHSA-N 460.630 2.789 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1705600640 GYLPTVLFVLCBPJ-CUBQBAPOSA-N 474.653 2.657 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1705607254 WYTYLNTXQARMTD-PZJWPPBQSA-N 459.616 2.716 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCn2ccnc2C1 1705623664 ZOQIUJYKQHULDP-GOSISDBHSA-N 450.543 2.507 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@H]2CCCCS2(=O)=O)n1 1705632106 VSFQOKHJAUFDQV-JOCHJYFZSA-N 496.637 2.704 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](C)CN2CCOCC2)CC1 1705634667 FSQDXXBFRQMTDJ-LADGPHEKSA-N 450.631 2.544 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2C[C@@H]2C)CC1 1705646378 XYNDHZUUKOUHGN-PXNSSMCTSA-N 451.571 2.974 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1705655745 QJQJOYJWKHKTDD-UHFFFAOYSA-N 470.567 2.926 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1705708486 CTLMBXZLTUAUOM-WMZHIEFXSA-N 452.559 2.671 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705726375 ILWWGCZXADWPIT-UHFFFAOYSA-N 462.554 2.995 30 10 JFEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCC[C@H]1C 1705881429 OKFWZGUPXXTBEU-UZUQRXQVSA-N 476.647 2.737 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705905410 UTAIBKGBQPHEKC-QGZVFWFLSA-N 467.492 2.727 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705906370 BOORTWNKBUMMSU-UHFFFAOYSA-N 488.564 2.603 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)Cc2cccc(F)c2)C1 1705918850 RFTIPMYVPGGUJO-HXUWFJFHSA-N 452.534 2.563 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1705935944 HBRGYECVRZPGBD-VXKWHMMOSA-N 479.691 2.721 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1705936397 QCPKZTQQDROGMQ-IBGZPJMESA-N 450.561 2.906 30 10 JFEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1706189206 AECUBHAWASTYBA-BJLXPSRBSA-N 451.980 2.786 30 10 JFEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)N(C)C 1706364650 AEJZMLMYIDJRNV-HKBOAZHASA-N 451.575 2.728 30 10 JFEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1711397836 DOMZRBCNGRVTHZ-UHFFFAOYSA-N 492.971 2.856 30 10 JFEE COCCN(C)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1712418345 AUZAFOIJQPRCTI-HSZRJFAPSA-N 452.538 2.541 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCCCCC2=O)c1 1722309418 NFWNYKDVRULPMJ-OAQYLSRUSA-N 478.597 2.631 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722360553 ANUFSYJDHLIBQV-HXUWFJFHSA-N 485.654 2.845 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCOCC1 1722419587 BYECOWURSSJRIR-RBBKRZOGSA-N 455.578 2.919 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1722425213 QZHIYQPGRGRRCZ-DEOSSOPVSA-N 452.628 2.960 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(OC)C2CC2)CC1 1722436827 LNRFHQPVEOSBME-IBVKSMDESA-N 486.661 2.963 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1722442033 RUIKCIBSEXUCTR-MHHVZENASA-N 483.682 2.879 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722454041 HPJPWARQGXLJGQ-ZWKOTPCHSA-N 461.657 2.634 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1722462905 TXNCHEBBYBNGEW-QGZVFWFLSA-N 457.604 2.657 30 10 JFEE C#CCSCCn1c(N2CCO[C@@H](c3nc(C)cs3)C2)nnc1[C@@]1(OCC)CCOC1 1722464484 HTYLXXNIILLFAR-DYESRHJHSA-N 463.629 2.639 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722465354 JUXCYSKETHXRMG-QFIPXVFZSA-N 466.611 2.942 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722529259 YIBGCMVAHLMOQO-INIZCTEOSA-N 471.986 2.848 30 10 JFEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 1722533625 WJAISTMPJIPHEA-DVECYGJZSA-N 477.606 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1300682138 FDTBWMOAKGZUKA-SFHVURJKSA-N 453.543 2.560 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cccc(F)c2)CC1 1300724927 DEPQSYJSVWWSKG-NRFANRHFSA-N 453.562 2.910 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)C[C@@H]1CCCO1 1300754701 FHABYWASQFYBBJ-KRWDZBQOSA-N 462.645 2.610 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300779635 CEJJASFIBALPNE-IUKKYPGJSA-N 475.590 2.831 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1300848302 CVJDEMJJMVATSG-HNNXBMFYSA-N 485.404 2.742 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1300899760 ICBHTABBBBKLMO-MSOLQXFVSA-N 484.667 2.938 30 10 JFEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301178600 QICDKPBTVPDYRH-KRWDZBQOSA-N 463.604 2.789 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCO[C@@H](C)C1 1301298036 XPIRWVBUMJENDZ-VQTJNVASSA-N 478.638 2.710 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1Cc1ncnn1C(C)(C)C 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C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(CCC)CC1 1358885689 ORORCCKBXTWEMK-SFHVURJKSA-N 457.648 2.818 30 10 JFEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1358914726 DYRRWPZRXTYDNY-UHFFFAOYSA-N 463.615 2.678 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358960852 MVXZGNFKJCWQPN-CRAIPNDOSA-N 456.597 2.535 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358965921 DPIBSMRDKKFVOD-WOJBJXKFSA-N 459.616 2.533 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1358968039 YBOXXKHYYWAGDX-KZNAEPCWSA-N 456.559 2.972 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](CC)OC)CC1 1359038569 AVNWLVCBLOSDKS-GOSISDBHSA-N 462.392 2.800 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1359040981 LAPAGJBYVCIUEY-QFIPXVFZSA-N 497.665 2.611 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCS(C)(=O)=O 1359056796 LQZNUFVEVMHEEE-UHFFFAOYSA-N 499.703 2.630 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359116843 CPUQYKHEYUQOKV-BURNTYAHSA-N 481.663 2.609 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1359121991 RFRGJYKZMBFDKX-CQSZACIVSA-N 458.510 2.813 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1359148733 AMTWYQCGTGFWOM-HDICACEKSA-N 458.950 2.838 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359161773 PZXGUOOWFMDELF-NRFANRHFSA-N 486.686 2.779 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359244485 FSDDTWQTSQVIKC-XLIONFOSSA-N 463.579 2.823 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1359302685 QDNGMVLXJAIMJJ-UHFFFAOYSA-N 476.581 2.931 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1359310639 BEVJJYMOPGUQDI-QHCPKHFHSA-N 452.584 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359329649 PYEZIQMNSVSNEA-IAGOWNOFSA-N 464.588 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)OC(C)(C)C1 1359334991 WQDFSTDROIFXFT-GOSISDBHSA-N 457.600 2.886 30 10 JFEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359344118 MNCDENYYESODFW-UHFFFAOYSA-N 477.638 2.917 30 10 JFEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1359665719 FRTRYYYFKNRDRK-KNQAVFIVSA-N 451.575 2.824 30 10 JFEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)C1CCOCC1 1437881162 YUTDARCEHOLRBS-OAQYLSRUSA-N 456.564 2.674 30 10 JFEE C=CCn1c(SCC(=O)N[C@@H](CO)COC(C)=O)nnc1-c1ccc(Cl)cc1Cl 1447657696 JOLHEEMSLJCASL-ZDUSSCGKSA-N 459.355 2.570 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507562916 PLTQNFLCZNGJQY-OFNKIYASSA-N 494.640 2.755 30 10 JFEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507567751 SIYVNZVFDWSIDB-QFIPXVFZSA-N 463.630 2.590 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1 1507700278 PJHBBNDAOFUCGF-QHCPKHFHSA-N 466.542 2.572 30 10 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C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1540007233 ZOERRQNZJAHKGV-UYAOXDASSA-N 494.687 2.522 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CCN1CCCS1(=O)=O 1540120703 VEDGNSSQBWKDNK-UHFFFAOYSA-N 468.583 2.577 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540854739 AWFLNVUCECBIJO-UHFFFAOYSA-N 498.385 2.723 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2CCCC[C@@H]2C1 1540865756 QXIPTNFMXJEEMK-GOSISDBHSA-N 473.419 2.993 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](c2ccco2)C1 1540874776 RQWCBSLTBXRVIS-OAQYLSRUSA-N 451.527 2.947 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1540898560 NPKJPOKZQMFDLR-IEBWSBKVSA-N 470.599 2.940 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 1546222951 POJXTCIFHIDIPD-INIZCTEOSA-N 452.017 2.589 30 10 JFEE COCCNC(=O)[C@H]1CN(C(=O)NCCC(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368101 SMHPPEJQDDQPTQ-LJQANCHMSA-N 469.508 2.586 30 10 JFEE 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JFEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1508105275 NDNGXRIPAAEVMR-UHFFFAOYSA-N 482.610 2.813 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(CC)nn(C)c2OC)C1 1508125917 JLHQVDLKBMDODG-QGZVFWFLSA-N 457.604 2.768 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1508146200 VGLFWWQGMSDELC-LJQANCHMSA-N 474.631 2.636 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1508154128 USBYIYMMWLSXFC-SFTDATJTSA-N 485.702 2.829 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1508655152 HTEIWRQXNBTERY-IBGZPJMESA-N 477.573 2.850 30 10 JFEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(OCC(N)=O)CC1 1539103046 NBNZVXDHMGXEQI-UHFFFAOYSA-N 460.376 2.900 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539224012 BNNLQLXUGAMYFT-SFTDATJTSA-N 475.684 2.678 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539231410 RUUMGVXVHJBWGP-TZIWHRDSSA-N 458.584 2.593 30 10 JFEE 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1539632583 SHXNWWAWFCURNG-YRXWBPOGSA-N 454.662 2.883 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1540063976 HSVACRSOMIECBZ-FQEVSTJZSA-N 478.645 2.571 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CC(OCC)C1 1540120672 MTGBSBAFHZPOOC-UHFFFAOYSA-N 464.570 2.508 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1540867066 JPBMPFHBILZYBT-DEOSSOPVSA-N 457.575 2.906 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540870033 DEUIALFKPVWKIF-ZWKOTPCHSA-N 462.595 2.658 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1540904823 ORLGQEXCWIPBTG-JOCHJYFZSA-N 467.035 2.915 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C[C@@]2(CCOC2)O1 1545057679 ADFJYBIZFAMAAN-UQBPGWFLSA-N 468.602 2.701 30 10 JFEE C=CC[C@@]1(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1546223436 JAGYBYRSLROXSS-RPWUZVMVSA-N 456.543 2.703 30 10 JFEE COC1CCN(C(C)(C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)CC1 1555155575 AWXAKCGULHXCLX-SFHVURJKSA-N 488.658 2.976 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588065350 XGZXZWYODRPCFG-YADHBBJMSA-N 496.681 2.953 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588070396 ZUOLKKTWIIMBDR-IBGZPJMESA-N 472.611 2.929 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1oc(CCC)nc1C 1588139071 KVORFZFLWABUOF-UHFFFAOYSA-N 458.570 2.822 30 10 JFEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCCS1(=O)=O 1588581406 PZDQTASLHOPVOU-OAQYLSRUSA-N 456.612 2.801 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cnn(C)c2)CC1 1588908733 VSXBRBODKXKNDJ-UHFFFAOYSA-N 472.380 3.000 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1588914087 WBJKZXXIMIDWSN-QHCPKHFHSA-N 465.646 2.760 30 10 JFEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589037388 YRCTXOGEQKYJSZ-GOSISDBHSA-N 484.651 2.625 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1589251688 QXSLMNMBJVJTNZ-LJQANCHMSA-N 454.021 2.765 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(N)=O)CC1 1589515559 OXYRBMSEYBFDBN-UWJYYQICSA-N 455.559 2.645 30 10 JFEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)c1ccccc1 1593776298 JEKVDMRPEUKZJE-QPPBQGQZSA-N 493.656 2.509 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1593844881 HVEBFEFVGYZMRL-OAHLLOKOSA-N 460.387 2.776 30 10 JFEE C=CCCCn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1594774336 JVCMBPOIWNAWKK-HOYKHHGWSA-N 458.559 2.967 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1595115722 LWYSQQRXZWQHGQ-VXKWHMMOSA-N 471.627 2.631 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCN(C)C(=O)[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)cc1 1595639946 OZDUNMVWOYMSIG-CLOONOSVSA-N 469.586 2.599 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595649048 LWYQRKCIEOMJSV-UHFFFAOYSA-N 470.599 2.747 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCC)C1 1595728940 HQKCXHNIKDEQAG-RTBURBONSA-N 465.595 2.794 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1595760097 KJYLAWFPDAZVHG-GOSISDBHSA-N 475.663 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1595804822 GUKSBQOTQARQOY-MOPGFXCFSA-N 497.662 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1595812385 RMEVGYGMVRJIOU-NRFANRHFSA-N 471.558 2.582 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1595878214 KFYWTUQZIFNOKA-LJQANCHMSA-N 460.648 2.767 30 10 JFEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595889893 BQJKIIDCMMQXIH-NRFANRHFSA-N 472.634 2.670 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1597725506 GILCDCAUGVWBCT-DHUJRADRSA-N 497.713 2.930 30 10 JFEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1598330957 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C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1683242539 CNSYCBQIPALULH-KZNAEPCWSA-N 457.579 2.652 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)NC(=O)OC(C)(C)C 1689848488 WEMXBZGQAFENHR-INIZCTEOSA-N 479.585 2.953 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689980342 QBPOJAKETXFHEN-HKUYNNGSSA-N 464.563 2.609 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689986069 HZMVRDMCYQHRQW-CQSZACIVSA-N 477.015 2.687 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689998051 ANNKBNXXUGGKJG-DHIUTWEWSA-N 485.654 2.646 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690034520 KHZWWJGHZXMKFO-LBNVMWSVSA-N 491.636 2.683 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCS(=O)(=O)CC1 1690095958 JRNXDQVDIPHHDU-UHFFFAOYSA-N 495.443 2.927 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1snnc1C 1690102741 UBUCNIOCPJRSMZ-KRWDZBQOSA-N 475.619 2.687 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)n1 1690108956 AKPDDBGOYQKUNK-UHFFFAOYSA-N 489.624 2.684 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1690129525 ZZYSOJZNRFCGFN-FQEVSTJZSA-N 487.674 2.938 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOCC)CC1 1690142463 OKQAHWMNNLSTTF-UHFFFAOYSA-N 461.570 2.523 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1690146610 SALDCGLNIBVDFG-YPAWHYETSA-N 471.646 2.979 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690157402 GALVFMMKQPQSIA-KURKYZTESA-N 457.575 2.886 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690160016 UGZFVENGOKWRPE-UHFFFAOYSA-N 475.062 2.955 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690348024 YKCGVEVCGNPHRA-OAQYLSRUSA-N 464.904 2.714 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(OC)CCOC2)CC1 1690411468 MUZJPICTBJZRDR-NTKDMRAZSA-N 477.606 2.794 30 10 JFEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1690513732 HQMQOCAGLGRIKJ-OAQYLSRUSA-N 461.570 2.553 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690644443 LIHLZLMQHWVWIQ-GOSISDBHSA-N 488.614 2.796 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1690665398 BUCKXGBSGUGMNA-IBGZPJMESA-N 475.597 2.928 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1690717468 HAJVLYMEZQNXRY-INIZCTEOSA-N 464.588 2.567 30 10 JFEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690746695 HOXSHQBGVGOUTG-OAQYLSRUSA-N 490.624 2.809 30 10 JFEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)N(C)C 1692719991 CGMNPBQKXRDLKB-HNNXBMFYSA-N 452.481 2.572 30 10 JFEE C[C@@H]1CC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C[C@@H](C)O1 1693581988 CRSTYNFUBKENOB-IAGOWNOFSA-N 472.615 2.538 30 10 JFEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1 1696726162 FBBCKSKOQNFCKX-QFIPXVFZSA-N 468.468 2.810 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1705539939 IBRJMYJMCTWLOD-ZEQRLZLVSA-N 462.598 2.999 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(Cl)ccc2s1 1705604369 LCDTYWIJMAQXKK-GFCCVEGCSA-N 452.993 2.659 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1705619116 HSQPGNIMEDYKLS-LBPRGKRZSA-N 494.337 2.655 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2C[C@H]2C)CC1 1705646379 XYNDHZUUKOUHGN-XLIONFOSSA-N 451.571 2.974 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2CCN(CC)CC2)CC1 1705646410 FAXWTGZUPCOIIL-UHFFFAOYSA-N 493.612 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCc2cccc(C)n2)CC1 1705649327 SYOBSCXZPOGROP-UHFFFAOYSA-N 458.566 2.866 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(Br)ccc2C1 1705659098 LJACYMMTHLXFGA-QGZVFWFLSA-N 460.401 2.921 30 10 JFEE C#CCSCCn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705665604 YMTRUZAVPMAVFQ-WMZHIEFXSA-N 474.631 2.836 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OCC)CC1 1705685456 AFCOHXRFRDFXJU-MRXNPFEDSA-N 475.391 2.863 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](COC(C)C)C1 1705693015 AMPKCCSVOLBDBV-BBWFWOEESA-N 459.385 2.541 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCN(CC)CC2)CC1 1705764652 HLJIFSGWBUGICZ-UHFFFAOYSA-N 472.659 2.533 30 10 JFEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1705887281 XGQGAKKRJNTHJC-KDOFPFPSSA-N 453.996 2.678 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1705895156 VZWBAAZMYRYIRE-UHFFFAOYSA-N 484.445 2.820 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)C)C1 1705906839 QEXWSZOCNJUBDW-SFHVURJKSA-N 478.391 2.783 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCCCCC2)C1 1705917958 ZUXKLSRKYSXGRT-OFVILXPXSA-N 475.634 2.893 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705939582 GPOCYHVVSKVNDZ-IBGZPJMESA-N 478.688 2.751 30 10 JFEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)CC1 1706044046 DLTDCRMDCPCEKC-UHFFFAOYSA-N 454.485 2.809 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CC(C)(C)O1 1708181970 ABGDDNVGLBTVAL-LJQANCHMSA-N 451.619 2.846 30 10 JFEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1710872857 BECBEOITTZKZAH-QGZVFWFLSA-N 471.505 2.799 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722358781 GCRCDJGEWAFDTO-YADARESESA-N 482.610 2.513 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1722363386 RYAQGEOEZBTQHU-QGZVFWFLSA-N 471.608 2.702 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722368479 SFHPPLRPEBXHJV-SJORKVTESA-N 496.992 2.670 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(OCCO)c(OC)c1 1722394921 KMHWVRYPRNPNQC-UHFFFAOYSA-N 498.381 2.927 30 10 JFEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1722462867 YNEGUPLYZUIQJR-UHFFFAOYSA-N 455.628 2.936 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722496320 KMTLACOTDNROES-DENIHFKCSA-N 488.036 2.621 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722521577 PLINMBXLYUCSIG-UHFFFAOYSA-N 468.602 2.673 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722529525 VFXJILZOJLMJQA-KGLIPLIRSA-N 474.425 2.886 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722530032 KZMFMJVIQZEYGH-KOSHJBKYSA-N 458.559 2.939 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1722542767 HNUTVRRTLUNXID-AEFFLSMTSA-N 453.996 2.826 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1722617826 MXRFDVRRCFPIJF-QGZVFWFLSA-N 463.629 2.607 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1)C(C)C 1722666664 ROSZTGMZJTYONP-FGZHOGPDSA-N 491.702 2.886 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722688671 IOVZXSMAWSKKAL-PONJGIIJSA-N 490.402 2.783 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1725817605 DVRGUFBNSYCUFM-LJQANCHMSA-N 484.605 2.520 30 10 JFEE CCNC(=O)C1(Cn2c([C@H](C)Oc3ccc(OCC)cc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1728652766 DAWYKSBXWLKIEI-RXVVDRJESA-N 482.585 2.852 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1729728325 GNTIMXJZEWJAAQ-WIYYLYMNSA-N 451.575 2.873 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740595313 BXTSBSBHGRQTHS-HXUWFJFHSA-N 459.616 2.687 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCSCC(F)(F)F 1740602692 ZDLNAERVKXRLAR-UHFFFAOYSA-N 460.551 2.912 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740621613 XNRCBYUIEXWIMW-XLIONFOSSA-N 462.019 2.567 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(N2CCOCC2)nc1 1740681430 LHSPAXLRHJNJSU-UHFFFAOYSA-N 496.999 2.973 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(S(C)(=O)=O)CCCC2)CC1 1740691233 XKWDOTGKRZQEJG-IBGZPJMESA-N 489.617 2.670 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCC(=O)NC(C)(C)C)CC1 1740692184 HNKWFDMKRFOPPD-UHFFFAOYSA-N 482.629 2.803 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740699038 YWCOIKBVGKYNCG-UHFFFAOYSA-N 466.630 2.598 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC)OC)CC1 1740702410 OEBWIVWXRHFFSQ-YLJYHZDGSA-N 457.550 2.948 30 10 JFEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740712947 ZQOOZUGQHFIRIY-LJQANCHMSA-N 466.655 2.663 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(Cl)cc1 1740717071 ILOKTTYPLPJGMT-MRXNPFEDSA-N 469.032 2.715 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NCCOC)CC1 1740760421 PUCDMNDJPDBUSU-ZJSXRUAMSA-N 485.604 2.968 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740781804 YZFSCZQNDQXVDH-QZTJIDSGSA-N 467.636 2.982 30 10 JFEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740789129 GLAWDNPCICMMPP-HXUWFJFHSA-N 452.559 2.573 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740790894 YXUYGAYKFHBNBD-XLIONFOSSA-N 455.559 2.517 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740849573 NWNAVZLKGYUONW-NRFANRHFSA-N 451.619 2.609 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1740868007 BMWLEEBBAZVJAU-QGZVFWFLSA-N 495.049 2.860 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740882172 CNQZADYQSSXHFN-IBGZPJMESA-N 488.036 2.719 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 1740969977 DGUWKFVEKUSFNM-RTBURBONSA-N 476.622 2.798 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)N2CCOCC2)C1 1740974280 DJCBIXVKLWPUAQ-GOSISDBHSA-N 490.402 2.656 30 10 JFEE C[C@H]1CCC[C@](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)(N(C)C)C1 1743015564 AAZHAVJEATYVBZ-CPJSRVTESA-N 499.685 2.799 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1748808183 ARMGWTKKAXPSHS-SJLPKXTDSA-N 471.608 2.841 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1748812327 SPPWEYLQMYVKCM-MRXNPFEDSA-N 491.520 2.558 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](OC)C(C)(C)C)CC1 1749014094 DQPGGTZGXUDMNC-FCHUYYIVSA-N 481.597 2.818 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749137047 WCWSRWIATSFZGT-XPNTWCBSSA-N 473.643 2.563 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1749285274 CPRUEJLNSSNCLC-LPHOPBHVSA-N 462.938 2.989 30 10 JFEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749419705 NDWCARQOOGLBEU-UHFFFAOYSA-N 472.571 2.560 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOc1ncccc1F 1749467506 QZQUQMSIXOAAMK-UHFFFAOYSA-N 459.551 2.782 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1749507071 QUZFDXYDGUYBSK-IRXDYDNUSA-N 453.609 2.940 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 1749683727 DQGJPWWHUFHSDB-QGZVFWFLSA-N 489.502 2.797 30 10 JFEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749689855 LHBKIRNVVYCGHT-SFHVURJKSA-N 459.616 2.924 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 1749711951 DQKFWDNCKQOXKU-JOCHJYFZSA-N 466.630 2.997 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1749734751 MDWVCOAEVASUMN-UHFFFAOYSA-N 485.614 2.906 30 10 JFEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1751099639 GJIVXIODTDFKEB-MRXNPFEDSA-N 455.563 2.774 30 10 JFEE Cc1c(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1751365795 FLBUMCKNBNBDDC-HNNXBMFYSA-N 460.311 2.666 30 10 JFEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 1752200489 DENKXEBYOJVCRI-IBGZPJMESA-N 470.643 2.951 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1760126953 NBFRLBRWKXHVNN-MYGLTJDJSA-N 487.693 2.780 30 10 JFEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760130526 LCMHNLGAFFZGOQ-TZIWHRDSSA-N 483.613 2.931 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC(C)C)C1 1760136955 DGTZYBZCYMSAGC-QFIPXVFZSA-N 467.618 2.886 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760182933 KWZHYXDQFHGDJF-OAQYLSRUSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1760183553 RGGWEHLHGGCOFG-WBVHZDCISA-N 479.002 2.891 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760186921 RZZPPZJZNJJELG-JOCHJYFZSA-N 484.601 2.620 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1760189607 JZGLBTZXBQMZSW-JOCHJYFZSA-N 498.678 2.569 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2sccc2Br)CC1 1760252328 PHSVNSISJXPVFG-UHFFFAOYSA-N 486.399 2.553 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN2CC=CCC2)CC1 1760256481 XRZBLHFGOFOONN-UHFFFAOYSA-N 461.433 2.786 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)O)CC1 1760267257 XJZPDWUYRGOVOJ-INIZCTEOSA-N 455.628 2.868 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760320108 WIWHWMNUDLZDCN-FBEWHJACSA-N 488.585 2.802 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CC1 1760329634 GNZNIDFHKRNRRK-WJOKGBTCSA-N 464.661 2.860 30 10 JFEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)NCC)CC1 1760345626 KQYZYYJLMSOPEX-UHFFFAOYSA-N 461.611 2.820 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760534279 UWGFRXVZHDJCGB-INIZCTEOSA-N 452.584 2.914 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 1760543817 WGLRLJQBDQDWAT-DNVJHFABSA-N 487.670 2.827 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760558744 YSHAQLYCUDGABP-UZLBHIALSA-N 464.563 2.601 30 10 JFEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 1760871751 BZVADPOXOXCMTO-FGZHOGPDSA-N 470.643 2.951 30 10 JFEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)N(C)C(=O)OC(C)(C)C 1761395743 DFQUMXZPMFVZPN-FYSMJZIKSA-N 467.574 2.774 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3(O)CCCCCC3)CC2)c1C#N 1762402506 CYCQLAGFZQPDSS-UHFFFAOYSA-N 454.623 2.802 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1763397497 IDKIWISAAJGVFQ-GANZUKCXSA-N 451.575 2.654 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1765711728 CRFLKHYKNPFHPQ-OAQYLSRUSA-N 481.601 2.882 30 10 JFEE CN(C)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1766900497 ASGLRGOPYWLZHY-GBESFXJTSA-N 485.589 2.975 30 10 JFEE CCOc1ccccc1NC(=O)[C@H](CO)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1866867270 NXGMMUMIWRBLRI-RBUKOAKNSA-N 456.568 2.539 30 10 JFEE O=C([C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCN(c2ccccc2F)CC1 1869929190 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C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1131512943 ROZZTPAMZYNWPR-IYBDPMFKSA-N 455.374 2.793 30 10 JFEE C#C[C@@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)c1ccc(F)cc1 1252439940 RQLHTSLAWXDIRR-HOBQYKGVSA-N 459.518 2.988 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1286314021 IYSIOQMCJXXNMC-QZTJIDSGSA-N 496.678 2.821 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cn(C2COC2)nn1 1286360879 KAEQVHYSDJGNLC-MRXNPFEDSA-N 455.950 2.969 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(NC(C)=O)nc1 1286373833 JQRKAISPKGASGZ-IBGZPJMESA-N 467.574 2.864 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1286388027 KMVIRURPOOWLHQ-SFHVURJKSA-N 453.568 2.545 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286388755 VGMZWCJEQOFWQF-CYBMUJFWSA-N 479.937 2.873 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OC1CCCC1)[C@H]1CCS(=O)(=O)C1 1286395731 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450.591 2.982 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1286672536 OBPDWKBXBWPFEU-LJQANCHMSA-N 483.679 2.997 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1286680463 KHYWWLLPNSEWQW-SFHVURJKSA-N 456.595 2.699 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286693249 WOEDHNXYVQOZIW-XLNZFTOWSA-N 489.642 2.934 30 10 JFEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286702752 VOGMOXHXUCPRBZ-JOCHJYFZSA-N 465.627 2.949 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1286772822 FRNSHIKCSVEJCQ-HMXCVIKNSA-N 493.605 2.508 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CCOC)[C@H](CC)C1 1286781991 GXTCACKKHMBJMG-AZUAARDMSA-N 486.686 2.981 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1286789401 GICJUURPIRGTKO-UHFFFAOYSA-N 482.610 2.841 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286799716 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30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1301568331 RIVFYGQTQPQTRE-DEOSSOPVSA-N 487.626 2.755 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301585522 CHZZPAXWZIMILX-ICSRJNTNSA-N 457.600 2.886 30 10 JFEE Cc1ccc(C(=O)NCCn2c(C(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1F 1304259773 FHSOZQIKRJMVAN-UHFFFAOYSA-N 476.560 2.872 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2CC2CCS(=O)(=O)CC2)n1 1304745202 HPIXIXCSLKYYTJ-UHFFFAOYSA-N 461.636 2.731 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)N(C)C 1305702244 AJXWOHRMHPZJCG-LEWJYISDSA-N 451.575 2.824 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CC1 1313919473 BTBLTLQEPPIVIP-FQEVSTJZSA-N 468.625 2.765 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1358952501 NIQVCCNVLQCXSK-XMMPIXPASA-N 455.628 2.751 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1358958598 RKIIFVACBGLYJZ-AHRSYUTCSA-N 463.003 2.776 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2Cc2cnn(CC)c2)CC1 1359043557 YVFHDOFUXYGTTB-UHFFFAOYSA-N 496.413 2.938 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1359105725 SZDUHSCGKZBNSK-BJLQDIEVSA-N 476.622 2.904 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1359121768 HZDNRNAOXFHAPF-AEFFLSMTSA-N 467.636 2.886 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359134964 MVZCNIRDKOVRES-UHFFFAOYSA-N 462.554 2.525 30 10 JFEE C=CCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359220916 MYBSXDUUKWUMIB-RUZDIDTESA-N 468.602 2.710 30 10 JFEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359224366 OLZWGSCJDRWHGA-KRWDZBQOSA-N 457.531 2.586 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1359258333 NJFJIKAPIIISLQ-YADHBBJMSA-N 452.603 2.779 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359292502 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1507633008 ABMZOKFGLXIKNS-QFIPXVFZSA-N 479.606 2.726 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507639061 JAZFMXAZZWEIKI-IBGZPJMESA-N 485.635 2.914 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@@H]1OC 1507676235 MHQYZGWJZYHLBR-BURNTYAHSA-N 471.602 2.563 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507718845 SYJFFZCCAJAWCX-LJQANCHMSA-N 467.492 2.685 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCC(C)(C)COC)CC1 1507730725 UKMWTZDHVWNUDR-JOCHJYFZSA-N 453.587 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1507739386 GXJXMQHSEFVTKV-PGUFJCEWSA-N 499.681 2.585 30 10 JFEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1507751560 PPJRCHCXGUMQTL-RXVVDRJESA-N 469.611 2.900 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCNS(=O)(=O)Cc1ccon1 1507769926 NVHNZTAVCQAUJO-XMMPIXPASA-N 498.609 2.574 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CCN1CCOCC1 1507803902 DBMOZQABXRHMMV-XUZZJYLKSA-N 455.603 2.915 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCSC1 1507819858 VQBDMEJVCFYSIG-NRFANRHFSA-N 464.661 2.817 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507954555 NZILQNCEUSJGLG-PMACEKPBSA-N 471.606 2.729 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1507957143 LHVPNIPRQYPSRD-OAQYLSRUSA-N 473.537 2.968 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 1507960928 ZPOSSHFXEXPPMC-UHFFFAOYSA-N 455.378 2.535 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(C(C)=O)CC1 1508076835 HYXRLBLHKMRNGY-UHFFFAOYSA-N 468.558 2.783 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1508112008 LPDBGHMTZLRIOM-HXUWFJFHSA-N 453.568 2.714 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCOCC2)C1 1508113028 DIDDFEIIKCEHPX-KRWDZBQOSA-N 465.396 2.539 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1508144308 TZADELWUBYYCSB-SJLPKXTDSA-N 472.533 2.820 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)n1 1524968647 YQUYZHOVLCASOM-UHFFFAOYSA-N 451.548 2.779 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)C1=O 1537076916 LXGGAEFNKAXPSB-FUHWJXTLSA-N 457.527 2.588 30 10 JFEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1539081828 GQDGSMXOZFNGIQ-UHFFFAOYSA-N 472.597 2.978 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539139710 MXZBQGDFEPXEIC-RUZDIDTESA-N 453.587 2.970 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)COCC2 1539177666 AQHLDUQFRINXDD-NRFANRHFSA-N 467.570 2.777 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1539212232 NWUOWQJJALBYNU-AEFFLSMTSA-N 462.641 2.795 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCOCC2)nc1 1539307701 XJQRPKLOTWYCMH-UHFFFAOYSA-N 461.957 2.736 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)OC(C)(C)O2 1539400841 MECLTVKVAMWGTL-VWLOTQADSA-N 470.570 2.960 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2cnc(C)s2)n1 1539424122 LJBSGQJDGUKNFG-HXUWFJFHSA-N 455.588 2.816 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)N(C)CC)CC1 1539429875 FLDMWMALPSOPBL-LJQANCHMSA-N 473.021 2.922 30 10 JFEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1539452537 VFXHJPMZECCBSU-XMMPIXPASA-N 464.658 2.627 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1539525946 GUYJGHXINQZJNY-QHCPKHFHSA-N 485.610 2.873 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539683127 AWEIQGXKDUBEFL-UHFFFAOYSA-N 479.972 2.795 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)c1ccccc1 1539931577 MIHAOSWNRUSKKG-NTKDMRAZSA-N 452.559 2.807 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539953527 KKCLNDHEFPHDFG-HSZRJFAPSA-N 474.631 2.514 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539981115 DVENIAMRFTYAAM-SFHVURJKSA-N 494.687 2.916 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2Cc2ccccc2)C1 1540882516 JWHVOSRXHNGFEG-FCHUYYIVSA-N 452.603 2.862 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1540884444 PIADGOWKMWQBRS-QFBILLFUSA-N 464.563 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540902567 MDZCQYNKVBLITQ-TZIWHRDSSA-N 493.674 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908137 CKTIDVSANWTCBL-SXWKCWPCSA-N 466.648 2.936 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1540908597 JPFPYSYFXULLDC-QFIPXVFZSA-N 480.656 2.977 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2C)CC1 1540916765 GISDXQLERJXIPN-OAQYLSRUSA-N 475.684 2.730 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1545273139 AGOIZOVHJUEDJV-CTIGNXTNSA-N 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C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1594003802 HZUFFYJUIZBGTB-LLUDDFSJSA-N 479.069 2.938 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1594097335 RDYLMGSWJIEPOT-QGZVFWFLSA-N 453.609 2.594 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1594720285 HRDWZVDLVZUQHU-IBGZPJMESA-N 465.602 2.798 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)c1occc1C 1594962176 JESQHTKKGCQBID-UHFFFAOYSA-N 464.574 2.796 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1595239708 QQARXRBVQNAKCF-FGZHOGPDSA-N 450.587 2.723 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1595561825 CTTCMLJOKZSJNL-HXUWFJFHSA-N 497.397 2.907 30 10 JFEE CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1613510614 CGCNEZQJKDKQIY-VXKWHMMOSA-N 498.628 2.828 30 10 JFEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1619317130 BDOAHCYMYDBWAH-WIYYLYMNSA-N 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471.646 2.978 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705662898 PGQXHDGNCBROOW-UHFFFAOYSA-N 479.654 2.690 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705667783 SSYWQSBHGAYWPH-XMSQKQJNSA-N 484.567 2.842 30 10 JFEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705803508 SOBSBTNPMAJCDG-UHFFFAOYSA-N 468.558 2.839 30 10 JFEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1705832169 PEGWZYYATPLJPY-UHFFFAOYSA-N 453.543 2.707 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(=C)C 1705883569 NAUDWZQMRVKYAJ-XMSQKQJNSA-N 464.570 2.812 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705903919 ZHEODDXDHWGKAV-UHFFFAOYSA-N 484.967 2.773 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(c2nccs2)CC1 1705905445 VOKBABQROWNCRF-UHFFFAOYSA-N 472.018 2.998 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](c2nccs2)C1 1705908115 IJNYPEWYVNOIAO-QGZVFWFLSA-N 486.623 2.916 30 10 JFEE 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JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nccn1C(F)F 1740916393 LOVGMTLNIWMDMN-KRWDZBQOSA-N 452.469 2.933 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)C(C)(C)C 1740939266 TTYOPRZOQYYEGI-UHFFFAOYSA-N 450.561 2.526 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSC(F)(F)F)C1 1740974181 CNZZFDQLRUPGNR-INIZCTEOSA-N 466.493 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](COC)C1 1740988974 VOIAFORNLQTZFW-GOSISDBHSA-N 455.584 2.957 30 10 JFEE CCc1cnc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)s1 1744404257 HRJHVBWIQXVCBZ-UHFFFAOYSA-N 478.626 2.876 30 10 JFEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1744840059 HISPSLGWXDKBMW-AZUAARDMSA-N 452.559 2.602 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)CC 1748649636 RAPAJVXZYSMHJR-CYBMUJFWSA-N 455.378 2.609 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1748731062 ZTGPOVAIHXAHMQ-LYXWCMDISA-N 459.591 2.909 30 10 JFEE 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C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1507951831 IBVYTOGEYRHAFP-LJQANCHMSA-N 453.595 2.935 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1507979662 BOUWFTACYJSESP-ZDUSSCGKSA-N 455.378 2.622 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1508007191 UZQIVGUEGAFAFB-SJORKVTESA-N 484.548 2.746 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1508032351 DXBPXRFLVBHGHR-FUHWJXTLSA-N 466.508 2.942 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](c3ccnn3C)C2)cc1 1508096365 GKEAVKYGKLHQJU-AZUAARDMSA-N 499.641 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1508131869 RNZDHHKSTQFJPL-HKUYNNGSSA-N 478.018 2.841 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccco1 1508138982 BLHPXCRCXXDRCM-UHFFFAOYSA-N 452.540 2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(C)C)CC1 1508139014 BVVKNCBYZIYOAX-UHFFFAOYSA-N 494.687 2.711 30 10 JFEE 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C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1539461794 LWQGBLNZCQKQJH-IBGZPJMESA-N 486.592 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCCC2(F)F)CC1 1539468693 HMEFRMFEYWOMLA-HKUYNNGSSA-N 467.561 2.793 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1539532926 GXSOUDHGIKQQKD-OAQYLSRUSA-N 471.602 2.917 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(F)cn2)CC1 1539579347 JLMDFXPMEPDMQI-HNNXBMFYSA-N 469.359 2.771 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC)CC1 1539619716 HGPDTJMNMGMZOV-MJGOQNOKSA-N 456.503 2.723 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539636111 JCFFJHIVVMVZLP-JLMWRMLUSA-N 462.616 2.728 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1539684795 HHPZKBMDQAXAHO-RHSMWYFYSA-N 484.420 2.805 30 10 JFEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539716064 SAVSGVOQMBMDMP-UHFFFAOYSA-N 461.570 2.871 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539978161 YAPBNEGUYHXFKI-QFIPXVFZSA-N 479.629 2.856 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1540868917 WJFNKZBZBJYODI-GOSISDBHSA-N 475.475 2.578 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1545760305 AHCAJMIXBOMINK-BJKOFHAPSA-N 465.646 2.822 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)CN1CCCC1 1545918075 FEJOPYRWOJYTDQ-FQEVSTJZSA-N 493.660 2.522 30 10 JFEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](C)CN1CCOCC1 1546528081 ARMFKANYJMHILY-GOSISDBHSA-N 458.010 2.660 30 10 JFEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCO[C@H](C)C2)c2ccccc2c1=O 1547737189 GMAXYVFLSJRJDL-WOJBJXKFSA-N 492.628 2.772 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)C1 1547819337 AQZRSMIFNDVXGW-UYAOXDASSA-N 481.601 2.926 30 10 JFEE CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](C(=O)NC)C2)cc1 1548367707 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481.597 2.997 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 1595784492 GWABJUZOBREOAJ-OAQYLSRUSA-N 455.584 2.771 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1595831872 YMZWGYNFJARLBK-VVLHAWIVSA-N 494.580 2.954 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1595901496 YELFOXMOHGTKMC-UHFFFAOYSA-N 454.600 2.953 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1613125296 AZWAAVPMHWCWTP-UYAOXDASSA-N 489.584 2.580 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1C(C)(C)C 1617868726 HSSUDYDZRUHDKZ-UHFFFAOYSA-N 470.541 2.828 30 10 JFEE Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1618252843 HWYQSYYSFVHSMN-FQEVSTJZSA-N 455.580 2.674 30 10 JFEE C#C[C@H](NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCCO1 1639041914 PECQPTFNGGJFSF-HJNYFJLDSA-N 450.539 2.847 30 10 JFEE CC(=O)N(c1cccc(Cl)c1)c1nc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1660061613 DCVWQYKFVAXALI-LIRRHRJNSA-N 450.973 2.851 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)CC2CC2)c1 1689870409 MWZPTIXIBAVHJZ-UHFFFAOYSA-N 481.578 2.728 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689989615 HGZDJEMKESCCFG-IBGZPJMESA-N 459.616 2.724 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689994222 UIPDHSKEYKGMBR-LJQANCHMSA-N 462.641 2.906 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN1CCCO 1690089476 BRFCBKRYCKHTOY-GMAHTHKFSA-N 455.578 2.798 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCO1 1690102382 JVHGRQLCUGYCMH-PMACEKPBSA-N 459.591 2.824 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690139125 AQZVHKJIACXCCY-OALUTQOASA-N 460.582 2.986 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1690144072 KXYDOSGYVSRMTE-LJQANCHMSA-N 458.607 2.671 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1690169765 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FXSBNSABRRQHPQ-UHFFFAOYSA-N 454.575 2.694 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCNc2nccc(C(F)(F)F)n2)C1 1690694172 KWQYLPXVEVWHQQ-OAHLLOKOSA-N 462.480 2.986 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1690725418 PHRDUKGGJCRJOG-UHFFFAOYSA-N 480.034 2.693 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C1 1695412447 DEFZBFFKNAVPFA-CPJSRVTESA-N 468.602 2.878 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1695583457 DNELAHVTVKIPBQ-NRFANRHFSA-N 463.586 2.666 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 1696137654 CATYKODZORQIMM-NFBKMPQASA-N 497.644 2.572 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cccs1)C1CCN(S(C)(=O)=O)CC1 1696629597 HXNFHEGDXBJXBJ-UHFFFAOYSA-N 470.624 2.981 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cc(C)oc2C)c1 1705504620 BYCJIYQCWILPNJ-AREMUKBSSA-N 485.548 2.909 30 10 JFEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1705523278 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10 JFEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])nc12 170547641 OJCJSLMVBDTMEB-UHFFFAOYSA-N 479.478 2.908 30 10 JFEE COc1ccc(C=NNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1COc1ccccc1C(N)=O 254880304 YLIOVEXQURSOAZ-UHFFFAOYSA-N 499.545 2.703 30 10 JFEE N/C(=N/O)c1ccc(Cl)cc1-n1cnc(I)c1I 302489287 UNPOQEDWQJALJK-UHFFFAOYSA-N 488.454 2.829 30 10 JFEE C=CCc1cc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc(OC)c1OC 514038927 ZXYVPCFNUYYNQZ-UHFFFAOYSA-N 495.623 2.514 30 10 JFEE C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609255799 LUAANMZXNOZXJG-HNNXBMFYSA-N 469.492 2.904 30 10 JFEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 612396226 XUNMZBNIRGQVTA-UHFFFAOYSA-N 459.524 2.932 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCCCC2)c1 1286309347 REXNJAJYXNOANH-UHFFFAOYSA-N 491.640 2.835 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1286386512 BPOJBQBWQFREDQ-ROUUACIJSA-N 457.625 2.851 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286386964 KYYNVVTYNFCCHS-FQEVSTJZSA-N 453.543 2.739 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1286486841 QFQSSKQFMSWUSV-HRFSGMKKSA-N 494.640 2.910 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1286512947 ZKCPTXFDBYFHSF-VXKWHMMOSA-N 484.718 2.501 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286534584 GWUUJBWDIHDZNK-AWEZNQCLSA-N 450.337 2.573 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1286605095 RHEZGZDULDALLM-XMMPIXPASA-N 474.558 2.559 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1286622317 FFGYKLYGZSUJMA-UHFFFAOYSA-N 492.955 2.632 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286793572 YYLMUELXIHFVKF-XMMPIXPASA-N 487.626 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286817348 RMOJGMLACFVXLL-QGZVFWFLSA-N 466.007 2.504 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)C1CCC2(CC1)OCCO2 1286822347 ISMBSKGPUMIUMD-UHFFFAOYSA-N 452.621 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286824455 YNSPERFPUURDFJ-INIZCTEOSA-N 498.074 2.882 30 10 JFEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286829356 HTPHOPXQVWZKLC-CQSZACIVSA-N 463.405 2.841 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1286831362 CWTIXVKDSXHAJT-KRWDZBQOSA-N 471.674 2.537 30 10 JFEE C[C@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1291071921 HNHAJNURKNOKDZ-LAUBAEHRSA-N 483.598 2.939 30 10 JFEE COc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1Br 1300198457 GHMXOKWESNLQML-INIZCTEOSA-N 455.316 2.888 30 10 JFEE COc1ccc(OCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1300318749 IAPOVCTZJYIRCJ-JOCHJYFZSA-N 470.530 2.799 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300511343 HMGDFMAVTSGIRM-CTNGQTDRSA-N 472.014 2.876 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)ccc1OC(F)F 1300590670 DQVQLFOKBXEAMQ-UHFFFAOYSA-N 457.481 2.522 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1300716311 KPHPJMOEVFNINT-CRAIPNDOSA-N 489.418 2.553 30 10 JFEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300751800 RXPTZLXJQQLDOR-UHFFFAOYSA-N 463.611 2.691 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1 1300761403 CLUPAZQJEIQLFM-OALUTQOASA-N 479.647 2.816 30 10 JFEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1300971909 CMWOHMINIXGBBQ-UGKGYDQZSA-N 469.586 2.939 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1301355268 UCMSJTRUOKEXRO-FQEVSTJZSA-N 463.579 2.743 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1301496625 DOECDPHWPDMJOB-HXUWFJFHSA-N 454.575 2.505 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1301587928 AWMXVHCCNFWNAF-UHFFFAOYSA-N 479.622 2.942 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301613148 UPDYLAGBDDGIAI-KRWDZBQOSA-N 455.584 2.824 30 10 JFEE CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1302815793 BEYZAAIJSWMRSJ-OAQYLSRUSA-N 479.608 2.992 30 10 JFEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1305242424 AFZJOTVXUBGTKB-GESALYCCSA-N 468.302 2.829 30 10 JFEE CC[C@@H](Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C)N1CCCC1 1305849784 HIQLDXCLBZBMCY-IBGZPJMESA-N 453.639 2.690 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1306497177 GCECMMNICMCUMC-NRFANRHFSA-N 467.643 2.751 30 10 JFEE Cn1cc(C(=O)NCC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)CC2)cn1 1314894637 DKYIZPGZVGMRCS-UHFFFAOYSA-N 472.475 2.759 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2c(CC)nn(C)c2CC)c1 1358902045 CZOMZDMFRLRNBF-UHFFFAOYSA-N 485.596 2.641 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358958440 NVXLTZUEBWMWQH-JXFKEZNVSA-N 483.594 2.989 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1358989456 CHFOCLRVLUQAHF-UHFFFAOYSA-N 482.548 2.839 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1359082258 DEESUAYJYQQWIP-MRXNPFEDSA-N 467.412 2.613 30 10 JFEE C=C(Br)Cn1c(N2CCN(CCOC)[C@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359088112 BOBQJNCBAAXWKR-WIYYLYMNSA-N 486.455 2.774 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1359103872 UVVUXMPKIRDXMT-CVDCTZTESA-N 484.601 2.698 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)OCCc3sccc32)CC1 1359173409 FQETUPDGSFLIJY-YCRPNKLZSA-N 465.645 2.840 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1359174724 NDFPVBQHQHHITO-XMMPIXPASA-N 490.626 2.815 30 10 JFEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359283258 FYHDTIXVSDOBKS-LEWJYISDSA-N 489.642 2.852 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359283829 XDCBSHKWWKEPFR-TZMCWYRMSA-N 458.510 2.889 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359284101 PWHZPFWPUQHMJE-UHFFFAOYSA-N 456.348 2.647 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359295066 OTPWCAJUBOGXLW-GOSISDBHSA-N 489.418 2.895 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1359306347 DDMHQOQUQQMUSH-DYESRHJHSA-N 470.574 2.530 30 10 JFEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CC1 1360412944 GQNSNPRAGMENSV-UHFFFAOYSA-N 467.599 2.781 30 10 JFEE Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OCC(F)(F)F)c1 1361281348 CJLURPCNPAUWMK-SJORKVTESA-N 451.449 2.809 30 10 JFEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Oc3c(C)nn(CCC#N)c3C)CC2)c1 1439962853 GUIJXLVKGLCOLJ-UHFFFAOYSA-N 458.540 2.623 30 10 JFEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C 1442628923 BWSIBQXZTABOBP-JOCHJYFZSA-N 451.571 2.979 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@](C)(CO)OC)c1 1452656872 RHVYOQFYWMKLDD-OAQYLSRUSA-N 452.960 2.849 30 10 JFEE C=CCn1c(SCC(=O)N2C[C@@H](CO)[C@H](CO)C2)nnc1-c1ccc(Cl)cc1Cl 1454048887 LCNQJEDIXOLILG-STQMWFEESA-N 457.383 2.589 30 10 JFEE COc1cc(C#N)ccc1OCC(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 1465276711 DQFSOFWFELKXPE-UHFFFAOYSA-N 453.930 2.981 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)c1ccco1 1495721675 CXHLSYGTZAQJSV-WAIKUNEKSA-N 452.563 2.533 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCC(OC)CC2)C1 1503872130 FIGPJJMOFFSXNY-FQEVSTJZSA-N 496.612 2.617 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1504749858 CUZIBFBNQBQISY-MOPGFXCFSA-N 451.369 2.953 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1507628859 YULAIMVMNCYGCU-HOTGVXAUSA-N 475.571 2.689 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1507677801 KHUGWYQDIQCXCD-FQEVSTJZSA-N 460.538 2.909 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CCSC2)CC1 1507728265 WRQQBWSJJFQVOR-VWLOTQADSA-N 469.655 2.912 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCSCCCO 1507766092 ZHIKQKILPDJKPF-XMMPIXPASA-N 466.611 2.783 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507810826 YKKOLGCRZVWNIK-BVAGGSTKSA-N 480.657 2.645 30 10 JFEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1507830081 ROFJCEBHHMFJNC-IBGZPJMESA-N 465.602 2.969 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1507842990 PIKZXJBYTBDWRD-UHFFFAOYSA-N 453.572 2.788 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507856759 KQHABGWLRSKIEX-HNNXBMFYSA-N 466.876 2.772 30 10 JFEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507943290 HWTQVQYQIJNYMY-IRXDYDNUSA-N 451.568 2.994 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1508002922 PTHXWRIGCSHCFP-PMACEKPBSA-N 477.656 2.557 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1508118417 XEBKPZXFMASAJS-OXJNMPFZSA-N 466.517 2.881 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1508145026 WAIZRBHONCWKGJ-OAQYLSRUSA-N 489.548 2.721 30 10 JFEE C=CCSCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508169252 ZCFDIFJLCLKPID-ZACQAIPSSA-N 464.636 2.635 30 10 JFEE CC(C)CN1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)C1 1509403202 FZTFBJJZTDZOPQ-UGKGYDQZSA-N 487.674 2.764 30 10 JFEE C[C@@](O)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1510233749 HZAOAPLLOUBZMR-YADHBBJMSA-N 472.908 2.804 30 10 JFEE Cc1ccc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCCS(C)(=O)=O)o1 1510812217 HGICSDKLFHCWIP-UHFFFAOYSA-N 482.610 2.865 30 10 JFEE CCOC1CC(O)(Cn2c(N3CCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1 1516400519 FABRMNXKSYZBEA-UHFFFAOYSA-N 452.603 2.699 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1539071882 GPDWQGVRKGZZDL-UNMCSNQZSA-N 485.654 2.876 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1cccc(C)n1 1539154375 PIKBLIXVPPAIAW-UHFFFAOYSA-N 451.600 2.952 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1539306581 JGJOZKIXXLDVBF-IBGZPJMESA-N 464.932 2.940 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1539359692 OHFFYIVLDXRIIL-SFHVURJKSA-N 479.589 2.883 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539392500 QYIXOHSRMBYNPJ-AZUAARDMSA-N 481.494 2.824 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNC(=O)OC(C)(C)C)CC1 1539434186 BZCPMTQYABBEFS-UHFFFAOYSA-N 454.575 2.624 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)CC1 1539462412 GNDPSWKDPTVGJF-KDURUIRLSA-N 454.575 2.754 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(C)cc(C)cc2C)CC1 1539469961 VVPTZIYIDTWOEG-HHHXNRCGSA-N 479.625 2.870 30 10 JFEE C#CCSCCn1c(C(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1539491223 NNUAJIPPLCHYFG-OAQYLSRUSA-N 452.628 2.695 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNC(=O)C(C)C 1539620725 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C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N5C[C@@H](O)C[C@H]5C(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2O 1614465175 YTQVCBMLJUWKIU-AVUKJONUSA-N 474.598 2.729 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1617562472 GNLSNWHGSHZZDA-UXHICEINSA-N 468.558 2.678 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCOCC1 1619899546 AOHVGFYNIOIXLB-UHFFFAOYSA-N 477.613 2.919 30 10 JFEE CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)CC2 1623740449 AGLWOCOFPOFZDE-SFHVURJKSA-N 459.554 2.791 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689979445 BFJZIYXCBAGNAS-IRLDBZIGSA-N 496.637 2.752 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689991811 CRVLFLWAGDDSAM-LJQANCHMSA-N 492.592 2.981 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689994209 UDEXZURPNCVAEO-GMAHTHKFSA-N 469.655 2.564 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCCO[C@@H](C)C1 1690036004 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1690634732 QPBWZLKGSAIRNZ-UHFFFAOYSA-N 456.978 2.725 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1690675940 KIGNILLPGFXMLP-GOSISDBHSA-N 489.418 2.596 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690681018 CTQIPSQZVIHGBB-FQEVSTJZSA-N 480.613 2.820 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCO[C@H](c2ccccc2)C1 1690722436 JHRWKJPQWWKVNG-NRFANRHFSA-N 453.568 2.909 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690731863 RYNOMWVQOPFOOJ-HDICACEKSA-N 467.636 2.886 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1691002989 AFBCMDYRBBXROX-RYUDHWBXSA-N 458.407 2.648 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CS(C)(=O)=O)CC1 1692656470 AUTRJKSJQLMSJQ-KRWDZBQOSA-N 453.572 2.694 30 10 JFEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C 1695884930 DPZWOMGVYKZBKM-IBGZPJMESA-N 486.642 2.617 30 10 JFEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)OC(C)(C)C 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1705645699 ASELJHZTKHZCMZ-DEOSSOPVSA-N 471.989 2.734 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705649182 NJWDQGZBNLNEGW-NRFANRHFSA-N 495.628 2.855 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705655057 BVTQQDIMJYRDPA-IBGZPJMESA-N 460.003 2.793 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705660759 FUHXTJFHBZBCPQ-SFHVURJKSA-N 461.582 2.672 30 10 JFEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705722669 DDGOBEOIMGZRBS-LJQANCHMSA-N 466.007 2.805 30 10 JFEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1705737150 LAADQGPRCWBQRY-OXJNMPFZSA-N 499.584 2.679 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1705747010 CIHGANQUOUFAEK-UHFFFAOYSA-N 462.945 2.872 30 10 JFEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1705798404 RHBWCGGJNKGDGC-DNVJHFABSA-N 461.566 2.984 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1705820028 ZEALFDLROHHMPG-JKPODABLSA-N 495.671 2.512 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C(N)=O)CCCC2)C1 1705916114 ZCRRUYCSZIPSGP-FQEVSTJZSA-N 466.586 2.974 30 10 JFEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CCN1CCOC 1709548767 CYKRYSVVZPAZHO-HSZRJFAPSA-N 462.602 2.730 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722281309 UOPBLQGOCKUOFO-DOTOQJQBSA-N 497.591 2.889 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722326702 UHMOGJPUKFWUGL-UHFFFAOYSA-N 467.599 2.609 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOCC1CCOCC1 1722378824 ROELVQKPMDLFIG-UHFFFAOYSA-N 450.539 2.622 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccco1)N(C)C 1722393903 KKDZJYUQROEOSW-FQEVSTJZSA-N 479.610 2.597 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNc1ccccn1 1722413769 RHYBICAQIHDRNH-LJQANCHMSA-N 469.590 2.943 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cc(C)nn2C)CC1 1722433446 VPWKPHVTTBRKDU-UHFFFAOYSA-N 454.376 2.553 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1722466538 YNXSNCGADOOVJN-FGZHOGPDSA-N 460.003 2.722 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(OC2CCOCC2)c1 1722631984 CKPRRHXOSNXSKW-UHFFFAOYSA-N 483.594 2.972 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N1CCOCC1 1722678287 NXIZCLHCEAGUCU-UHFFFAOYSA-N 451.930 2.625 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CCCO1 1722727297 KAGBYJWFOMHHMV-GOSISDBHSA-N 457.556 2.816 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1722729980 DEEDDTWDQJJGMU-FPOVZHCZSA-N 460.600 2.506 30 10 JFEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722738120 BJDMLMLOZHMYBF-LPHOPBHVSA-N 464.613 2.723 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(=O)NCC1CC1 1723329795 DVPOSPWAPCZSNC-UHFFFAOYSA-N 455.994 2.854 30 10 JFEE CCN(CC)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 1728383459 BEGINDOSMQBCPQ-LJQANCHMSA-N 488.596 2.685 30 10 JFEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1729297614 BHQHDSUGUZWNSS-UHFFFAOYSA-N 492.672 2.537 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740556568 IPIAZUPVPSCDBY-UXHICEINSA-N 476.581 2.992 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740581617 CCKAFXNXSYYLMO-QGZVFWFLSA-N 498.575 2.682 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740591659 QFSDJIBIXNGFDI-UQBPGWFLSA-N 489.617 2.774 30 10 JFEE C#CCCCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740597130 PPENRNSULSYHTN-DEOSSOPVSA-N 456.591 2.659 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccc(N(C)C)cc1 1740602680 YSNFKLWLUZBUMX-UHFFFAOYSA-N 465.627 2.925 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1740615675 IWDRUNXYMXZPAO-LFALDJFMSA-N 459.591 2.846 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740628285 PBAOJOGMSNFIEP-SFHLNBCPSA-N 474.652 2.931 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740640350 LGAGWSSALNSVKI-VIZSFHNOSA-N 463.582 2.751 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC[C@@H]1C 1740659696 ZJIYXZUQXVLCJT-IBGZPJMESA-N 486.414 2.803 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(C)(F)F 1740679761 JHSHGYLOUPTSHW-UHFFFAOYSA-N 454.547 2.678 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCc2nccn2C1 1740680615 IVQMDSNAZAVMDC-GOSISDBHSA-N 450.543 2.507 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCSC2)CC1 1740703134 HJGAJCWFQSUKNV-OAHLLOKOSA-N 491.459 2.765 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCC)CC1 1740753687 MRVRIBHGXPWCJW-UGKGYDQZSA-N 473.021 2.838 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740754952 HPQYTJDKXLDEBR-ACRUOGEOSA-N 455.584 2.811 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1C(C)(C)C 1740765597 AOOCVMMOELVYKG-MJGOQNOKSA-N 453.653 2.855 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740800536 FNSVKYRBNNCSHL-UHFFFAOYSA-N 460.966 2.617 30 10 JFEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1CCOC(C)(C)C1 1740875366 BFXFDAFANYNIJQ-UHFFFAOYSA-N 468.650 2.965 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1740877264 ZLJDCBQNQACCSA-RTBURBONSA-N 459.616 2.870 30 10 JFEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740930894 SZHXBDVNIMFBIN-SFHVURJKSA-N 482.507 2.837 30 10 JFEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740944640 BQJYHZILMFOGSC-INIZCTEOSA-N 473.419 2.991 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1740967155 YGPDLCPBORMBPI-UHFFFAOYSA-N 470.599 2.794 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1740989609 SFYBTVBKOOMGCE-NRFANRHFSA-N 453.568 2.989 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1740994770 WKYLDPAPQMIECI-MRXNPFEDSA-N 455.625 2.527 30 10 JFEE CC(C)(C)OC(=O)N(CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1)C1CC1 1741210949 BDYYCCJFHVAQSL-SFHVURJKSA-N 457.579 2.759 30 10 JFEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CCN1CCOC 1745335320 FLGCAIBGXRWZNT-HSZRJFAPSA-N 483.686 2.803 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2nc(C)cc2C)cc1OC 1746800626 DFJOCLLQLXCNME-HXUWFJFHSA-N 465.558 2.985 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(O)CCS(=O)(=O)CC1 1748654749 KSHLSFIZPRVRDM-SFHVURJKSA-N 484.578 2.515 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748811390 FVJLVVPVIWUROX-DENIHFKCSA-N 479.606 2.854 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1748817512 LOZSABMNOHFOFJ-MSOLQXFVSA-N 479.002 2.509 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCS1(=O)=O 1748828603 HRUFHUBHNHXIIL-GOSISDBHSA-N 461.385 2.748 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 1748830447 WONLISWVGGUJBX-HXUWFJFHSA-N 474.540 2.910 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc(CC)s1 1748858959 MYCCDMLDDVTNLN-IYBDPMFKSA-N 455.588 2.584 30 10 JFEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc1 1748870587 FJCOJXIKZIXGFY-NBGIEHNGSA-N 468.602 2.964 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccsc1 1748887156 VUCIGEUXKHCZEP-VWLOTQADSA-N 472.574 2.624 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc([C@H]2CCOC2)cn1 1748917203 PTYOJWZZIIJRTE-SFHVURJKSA-N 450.543 2.822 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCC[C@@H]1C 1748961185 WWMIVFAVTBADDO-IBGZPJMESA-N 463.586 2.944 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1749016331 AUULJBNKUXXDAW-LJQANCHMSA-N 476.556 2.836 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749133290 KDXURBZVQIHASW-BKMJKUGQSA-N 498.647 2.980 30 10 JFEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749195733 ZFYWXGNGXAHALF-UHFFFAOYSA-N 453.497 2.544 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccccc1 1749384548 CWRFFXXNMVYOOU-HMXCVIKNSA-N 471.627 2.632 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1749573188 AFLZWZNRCQBZOW-INIZCTEOSA-N 454.556 2.597 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1749574761 DTGXPNOHGPVFFP-JOCHJYFZSA-N 455.628 2.807 30 10 JFEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1749640846 JURDDNXJGHZSHY-UHFFFAOYSA-N 460.542 2.820 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749678023 SMCSEIZTBJPIGA-MAUKXSAKSA-N 478.391 2.783 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749750191 XTKMPGPOZUUKSM-FQEVSTJZSA-N 487.626 2.709 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1749760213 FULINXBXMLBHGV-LJQANCHMSA-N 474.675 2.795 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1760097310 CUGLJOUNURLTPR-HOTGVXAUSA-N 451.980 2.565 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1760144082 CHEJMQYJTRBSIW-LJQANCHMSA-N 472.553 2.897 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760165515 VCHMZENHNQMZHA-QZTJIDSGSA-N 487.674 2.504 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760181404 UWVPEIJAYJVJON-QPPBQGQZSA-N 478.659 2.916 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1760181720 AQKFGSROAKVMKS-INIZCTEOSA-N 498.074 2.781 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190105 OEFIJLRJRMOMMD-IFMALSPDSA-N 487.645 2.755 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190111 OEFIJLRJRMOMMD-IRLDBZIGSA-N 487.645 2.755 30 10 JFEE 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C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286536632 QUQMBGOSKUJFOA-MRXNPFEDSA-N 496.381 2.899 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1286541167 HQDTVLSKPLNNJK-OAHLLOKOSA-N 484.395 2.555 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1286542078 HJCUTAKIGFHYGR-UHFFFAOYSA-N 455.378 2.617 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286584929 VZBPRECQEOEXSE-HNNXBMFYSA-N 485.452 2.730 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1286749450 SLGQICJXVNQFQA-UHFFFAOYSA-N 498.634 2.881 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(-c3ccccc3)c2C)C1 1286800505 MAAKVIGJBALGLV-RXVVDRJESA-N 499.641 2.520 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286814993 JVDVHUIRDTYVGA-QGZVFWFLSA-N 458.540 2.682 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286821932 AKSGWRNIIVQKJC-KRWDZBQOSA-N 452.588 2.647 30 10 JFEE 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C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1300915351 NPOFLYBJJDGYKL-NRFANRHFSA-N 477.631 2.849 30 10 JFEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301225900 MMDMFVZOCITGHN-UHFFFAOYSA-N 453.587 2.919 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1301363058 NMJBVPHOWDEZTR-UXHICEINSA-N 493.699 2.935 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCOC(C)(C)C 1301482977 GTDKAVROMJHSPN-UHFFFAOYSA-N 453.385 2.600 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cncn2)C1 1301618802 ZHVNJNXKAXXSLC-MRXNPFEDSA-N 458.617 2.622 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1303458679 CRXNANXQJAJPNO-LJQANCHMSA-N 471.556 2.899 30 10 JFEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1 1312484991 FUNVXMHEDYDWFN-GCJKJVERSA-N 451.571 2.734 30 10 JFEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCOC1 1314110841 AYABWRACIQAUSN-VXKWHMMOSA-N 466.558 2.675 30 10 JFEE 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2.636 30 10 JFEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)CCO1 1299154495 GGBAJEFXORHRQY-UYAOXDASSA-N 452.559 2.506 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C(N)=O)CC1 1300363255 XLXKGGHXJQJFSO-UHFFFAOYSA-N 458.607 2.898 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1300491962 KJOBZSGDDRGSQP-KRWDZBQOSA-N 493.427 2.992 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300563813 NGEDDNZUPCSFBN-RBBKRZOGSA-N 496.593 2.520 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(C)CN(C)C1=O 1300654062 RXYNYDOFXMJWKC-DEOSSOPVSA-N 464.595 2.941 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1300697641 FXOAPKLRKRAUEA-HXUWFJFHSA-N 469.586 2.739 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300768188 MBBQSKNBWIHYOF-DHLKQENFSA-N 494.709 2.809 30 10 JFEE C#CCSCCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300775856 BHDQEJAHVZVEBS-INDMIFKZSA-N 479.647 2.655 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1300902059 ZUZGSTWJPPUCNR-UHFFFAOYSA-N 460.373 2.798 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCS(=O)(=O)NC(C)C)CC1 1301075076 SGTCDUIHSDKZCO-UHFFFAOYSA-N 463.604 2.837 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1301162962 FPRCQIIKDUJEAH-PMACEKPBSA-N 459.554 2.987 30 10 JFEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301453844 DELVFCNKPCCLJI-UHFFFAOYSA-N 479.482 2.883 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301529902 SRJKKIFXIWGRIN-FQEVSTJZSA-N 470.599 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCCCCC[C@H]21 1301566694 AVBLIFLYBPCMBY-IEBWSBKVSA-N 451.637 2.956 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C2CCCC2)CC1=O 1303198501 CKAQYOHROLUWOV-UHFFFAOYSA-N 479.629 2.908 30 10 JFEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H](c3cccc(Cl)c3)N3CCOCC3)C2)nc1 1311827964 AJDVCTKLUPMHSO-RTWAWAEBSA-N 455.946 2.843 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1358167452 BKMCBLBYYOMOAR-RDJZCZTQSA-N 454.308 2.557 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358966961 AMAXKNIFQSACGF-SFHLNBCPSA-N 476.574 2.753 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccc(OC)cc1 1358979210 GMRFEUFNYSAAFK-QFIPXVFZSA-N 479.581 2.911 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(SC)CCN(C)CC2)n1 1359027413 IPBVQIGDRFVVLQ-UHFFFAOYSA-N 473.691 2.886 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSCC(F)(F)F)CC1 1359032880 HLXYYAXTRXNVNO-UHFFFAOYSA-N 453.490 2.725 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1359046676 BEQZBKZGXTXWTO-UHFFFAOYSA-N 460.504 2.853 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(=O)(=O)CC 1359067529 RNTCVXAXGTUBBB-HXUWFJFHSA-N 451.980 2.539 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1359094873 HASJXNTYKIHAAT-HTAPYJJXSA-N 490.004 2.883 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1359107138 DHCZXWAWSHPQBB-OAHLLOKOSA-N 450.565 2.517 30 10 JFEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1359120668 RGGTWTXSXJAPME-NRFANRHFSA-N 470.599 2.737 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1359132979 IXKYJLCLKZEVDQ-LJQANCHMSA-N 459.978 2.991 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359198639 WKLFNRZJAVNAIE-RDTXWAMCSA-N 467.558 2.774 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1359292419 ORMHGZUUGQBBSM-SJORKVTESA-N 474.993 2.657 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1359331718 GOCFFDRPCCILPI-IPMKNSEASA-N 452.621 2.904 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)s1 1464735519 DXKFDSRSQPCICR-UHFFFAOYSA-N 457.618 2.518 30 10 JFEE CCc1nnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)s1 1498551688 DPJREOJEZIBIAM-MRXNPFEDSA-N 451.329 2.940 30 10 JFEE CCN(CC)CCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1501951642 CROJGRBSXMBFAN-UHFFFAOYSA-N 463.565 2.804 30 10 JFEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C[C@H]1C 1502330872 DQLKIJUEKRKSTL-ZUQCGGBESA-N 458.632 2.806 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)s1 1504887839 FMIIRSAKQXMZCN-AWEZNQCLSA-N 458.009 2.504 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1507572185 BARUQUYJTKOJLY-UHFFFAOYSA-N 457.538 2.691 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCCCC1 1507606869 ZZLLLXQLAQDHQR-UHFFFAOYSA-N 458.632 2.529 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1507627576 KHZCFSBXDBUEBF-VWPQPMDRSA-N 472.611 2.642 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1507635663 YLNMLCXSYBENDU-NRFANRHFSA-N 457.644 2.916 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1507687269 MHAAWKHDCZIFAB-UHFFFAOYSA-N 479.654 2.962 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507824987 KMEXYEFTJHMWAT-QGZVFWFLSA-N 489.374 2.765 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1C 1507868001 CPEWIIYYIJGNQS-SJLPKXTDSA-N 453.996 2.869 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CC1)CNC(=O)C2 1507958192 QUTFDMSBPKXUCP-UHFFFAOYSA-N 477.407 2.745 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1ccco1 1508087055 NEVSJZWCPLWEJI-INIZCTEOSA-N 461.526 2.768 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1508090508 ODMPSKWRHFZYMF-QZTJIDSGSA-N 474.556 2.636 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCCN(C(C)=O)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1508106828 XORABYDPUFLNLK-RUZDIDTESA-N 469.586 2.602 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1508111210 XIEXLYQNJZXVOQ-SFHVURJKSA-N 462.595 2.597 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1508138984 BMNVVFJMGFMSQE-APWZRJJASA-N 488.589 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1508141128 LKPQFLFNKSCUSP-UHFFFAOYSA-N 462.601 2.883 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1508144224 NYNIGZYDDNIIEP-SFHVURJKSA-N 483.516 2.719 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1508791463 BSUKEPQSATXVFR-ASPBEGMCSA-N 468.627 2.716 30 10 JFEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1511939318 CMIHISYSBJQIPD-UHFFFAOYSA-N 484.582 2.795 30 10 JFEE CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)c1 1514993488 BUVYSEUZAFARMD-UHFFFAOYSA-N 451.575 2.734 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)c2c(Cl)ccc(S(=O)(=O)CC)c2Cl)n1 1520238562 GDDJGCALNUUOBT-UHFFFAOYSA-N 458.367 2.906 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(-c4nc[nH]n4)c3)CC2)cc1 1524729612 HKWJSIQTVRCQAC-UHFFFAOYSA-N 454.487 2.522 30 10 JFEE C=C(Cl)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)C(=O)OCC 1531936175 AGFZVHYFTPQIBX-SFHVURJKSA-N 456.992 2.895 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCO[C@H](C)C1 1538983407 RCEPUJOVLAYFBN-OTWHNJEPSA-N 459.616 2.859 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1539030292 PQJIIEALEGHGLV-CTNGQTDRSA-N 478.622 2.629 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1539231407 RUUMGVXVHJBWGP-PZJWPPBQSA-N 458.584 2.593 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCO[C@H](C)C1 1539320160 POWWORHDHBSAAW-OAQYLSRUSA-N 463.582 2.680 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1539461760 KXAKWZSRRUBMMP-RDPSFJRHSA-N 453.587 2.682 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1539599705 CDHDMBWGUWWCNF-SFHVURJKSA-N 476.419 2.945 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539635446 GJJKFWKDRADRQO-URXFXBBRSA-N 452.603 2.940 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCOCC2)c1 1539646724 ZQYBRZIUBVZKTL-UHFFFAOYSA-N 452.603 2.797 30 10 JFEE N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1Cl 1539755144 DSCQHJPYXBAGIS-UHFFFAOYSA-N 454.335 2.816 30 10 JFEE CN(C)S(=O)(=O)C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(F)(F)F 1539838254 AJPVFXNQRSJAGK-SFHVURJKSA-N 455.458 2.689 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1540865810 SPWXXOZQJPPARX-JKSUJKDBSA-N 461.408 2.929 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2C1 1540903333 BLXLZEHUPYMYLB-UHFFFAOYSA-N 459.522 2.706 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)C[C@@H]2COc3ccccc3O2)s1 1541107440 ICLFUBCONRRCJF-MRXNPFEDSA-N 450.582 2.834 30 10 JFEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)NC(=O)OC(C)(C)C 1545794483 DZZMKMNBAOVOAQ-UHFFFAOYSA-N 497.600 2.748 30 10 JFEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2)OC 1546917532 AMPPHUFJFFTDRA-HXUWFJFHSA-N 452.559 2.650 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCn2cc(Br)cn2)c1 1587697185 LEOACOSAXHHIIV-UHFFFAOYSA-N 482.386 2.946 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1587879081 OCGZKIPAUMPIJJ-UHFFFAOYSA-N 483.686 2.678 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1588054597 OHCKBAXVOJERPV-ROUUACIJSA-N 491.683 2.796 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(N2CCOCC2)n1 1588193523 GMFUVLIQTXIVQK-UHFFFAOYSA-N 471.521 2.596 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588612487 HFIAKFUUQAQUKG-UHFFFAOYSA-N 450.543 2.770 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1588858041 XESOSBQFXDTUHJ-JOCHJYFZSA-N 455.676 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC2CCOCC2)CC1 1588913239 DDKPLPVYDNKCEX-UHFFFAOYSA-N 451.571 2.736 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1594559840 RFSOPMGCLGNFTO-UHFFFAOYSA-N 455.563 2.566 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC)C1CC1 1595058554 PELSQGCWDUGLMD-LJQANCHMSA-N 474.562 2.924 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC=CO1 1595100140 NENIPTPCWFGERT-NHCUHLMSSA-N 453.568 2.937 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1595170919 MRWCSHIONPHRHJ-YTFSRNRJSA-N 458.651 2.739 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595561861 DZGCWBUVOQCQAY-KRWDZBQOSA-N 460.604 2.678 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCc3ccccc32)C1 1595674160 NJAFFKLGYCRFKM-DFQSSKMNSA-N 459.616 2.790 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1595723378 VOIYNLUVKOLWJW-PZJWPPBQSA-N 460.600 2.947 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)CN2CCOCC2)C1 1595730089 TZCDSXZGZQIEBO-RBUKOAKNSA-N 461.557 2.897 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)n1 1612492067 HHAXYNVWUZWOFB-UHFFFAOYSA-N 496.641 2.568 30 10 JFEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1612680334 HKOWLTLDJFSNPL-IPMKNSEASA-N 452.559 2.601 30 10 JFEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCCC1 1613744979 FQSXAVWKHBDONP-IBGZPJMESA-N 464.636 2.711 30 10 JFEE Cc1c(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(O)n(C)c(=O)c1C#N 1614794564 OVDWKGJMSPBDKV-CXUHLZMHSA-N 457.508 2.884 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\NCCc3ccncc3)C(=O)C[C@H]1C)C2=O 1615248668 VLYHYHHXRPLIAY-DAADBCEPSA-N 470.909 2.960 30 10 JFEE C#CC[C@H](CCOC)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1623648858 DSGYZSWSVLJJNS-UHOSZYNNSA-N 456.402 2.587 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3cccc(S(=O)(=O)N(C)C)c3)n[nH]2)c1C 1627888203 CBYNKUQVKYQQEN-AWEZNQCLSA-N 456.572 2.817 30 10 JFEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)OC(C)(C)C 1628220451 WDXINKOMHOUPCX-UHFFFAOYSA-N 455.964 2.933 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)cc1 1629686096 CNSVMERBQADSRW-XZOQPEGZSA-N 457.596 2.560 30 10 JFEE C=CCCOCCNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1632294754 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C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@@H]1C 1690266674 FJBNUHIWLCYIID-UFYCRDLUSA-N 469.652 2.609 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1690271185 HJTQZVYKBAHKIY-SFHVURJKSA-N 482.651 2.788 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690375418 KQBVQQCBRNLKNA-ROUUACIJSA-N 474.606 2.658 30 10 JFEE C=C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1690377569 IBBNLRUFDIXXLM-UHFFFAOYSA-N 452.584 2.719 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690660605 KYUYVOGUUVIKQJ-HXUWFJFHSA-N 467.618 2.752 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1 1690670883 LJRSKVHGUMLIHV-LXPRWKDFSA-N 464.586 2.879 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690676932 IWCUESHXCJGPDG-HNNXBMFYSA-N 471.455 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)C1 1690717804 RDTRUSFDMNLAMI-SFHVURJKSA-N 472.409 2.642 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C=C)CC1 1690724328 MKRKVBXADASJBU-IBGZPJMESA-N 495.646 2.590 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)nnc1C(C)(C)C 1690731606 NPESFANQSORTSW-GOSISDBHSA-N 474.631 2.735 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690737317 IFBOLFKKNYOOND-MRXNPFEDSA-N 452.602 2.505 30 10 JFEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)Oc1cccc(F)c1 1692691315 BFARCJZRYZTQKR-JKSUJKDBSA-N 464.567 2.625 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1692782177 DYLPXPACWQEKCH-KXBFYZLASA-N 495.600 2.599 30 10 JFEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1694738627 DQOFWDHNFOVNBP-LJQANCHMSA-N 468.606 2.983 30 10 JFEE CNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1697009612 DYSRWFXDTAWOIP-XMSQKQJNSA-N 483.592 2.670 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCCCCC2)nc1 1698060460 FZNZMOPJVLBXGV-UHFFFAOYSA-N 461.574 2.925 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1698484010 CQIKFTGSUCMSGZ-GOSISDBHSA-N 475.519 2.793 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1705478389 ARGKDCDAGSNHKB-CLOONOSVSA-N 453.587 2.918 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1705478929 HBZHFJIKIZJQIQ-YYDVJCTNSA-N 459.616 2.523 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCC[C@H](C)C2)c1 1705505719 SAVQAAZIWJOAPZ-UGKGYDQZSA-N 491.640 2.796 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566223 ZZHPGMKPZNYRGR-MOPGFXCFSA-N 461.607 2.687 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1705569481 HODPCNMJZCPFSA-NHCUHLMSSA-N 475.684 2.822 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705569717 JMVXPNOPAQKEPP-LJQANCHMSA-N 485.997 2.601 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1705570413 MYSWQYOCNILXNI-IBGZPJMESA-N 455.609 2.617 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1705587885 MXSKSHJTBUQDDO-QFIPXVFZSA-N 461.566 2.501 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCNS(C)(=O)=O 1705591119 GLPPVQJYAFUPEP-UHFFFAOYSA-N 498.834 2.763 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCO[C@@H](C)C1 1705591518 RFQBYTJYEMELJP-FQEVSTJZSA-N 450.543 2.817 30 10 JFEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(CC)(CC)SC)CC1 1705638733 VPFOAWXKMLDIRA-UHFFFAOYSA-N 489.715 2.915 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)CC1 1705639579 RNTZWYLEEPVYOX-RTWAWAEBSA-N 472.634 2.717 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705667479 MKJOFZIYZJKYNV-BDTNDASRSA-N 467.595 2.818 30 10 JFEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705756886 RHVODLHYEOYDHI-MRXNPFEDSA-N 464.039 2.519 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNC(=O)c2ccco2)CC1 1705778531 ZDPHYTZTEXWTJI-UHFFFAOYSA-N 498.609 2.621 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705819506 NCSZXNCNNJTFNA-QRQLOZEOSA-N 481.644 2.605 30 10 JFEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1705829703 ALOYKDXUHMTCJC-FGZHOGPDSA-N 489.642 2.854 30 10 JFEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705834749 QYOGWOGWMIMAMP-KKSFZXQISA-N 469.007 2.860 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(F)(F)C1(OC)CCOCC1 1705835242 FDLIDOJIATWOPS-UHFFFAOYSA-N 498.600 3.000 30 10 JFEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1705885657 ZUTCQNCYLZDIQO-INIZCTEOSA-N 454.543 2.611 30 10 JFEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705892831 LCNMVECQUDJGLK-IBGZPJMESA-N 452.559 2.813 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)OC)CC1 1705931606 VEPKMHXBKFUTIS-UHFFFAOYSA-N 458.540 2.682 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705932925 OFNNYOBBKCTQGL-UKRRQHHQSA-N 472.489 2.909 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1706746819 FAJGRMXFUHNXBG-VXGBXAGGSA-N 462.523 2.637 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1710015859 DIKAXZRKEKLYBM-GHTZIAJQSA-N 453.591 2.564 30 10 JFEE CN(C)c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@](C)(C#N)C2)cn1 1711003357 DQPOVJZOWFBORR-XMMPIXPASA-N 479.610 2.988 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)C1CC1 1711073696 DUYCVNODHKNFMG-HSZRJFAPSA-N 450.568 2.939 30 10 JFEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1711881017 DDSGBHCZJCGAEW-FDDCHVKYSA-N 473.599 2.821 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1722277525 LZBLLHLMXNHGQT-GBQFQWDFSA-N 452.490 2.542 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)N1CCOCC1 1722298267 AOXLJWXLJSDJSL-SJORKVTESA-N 462.392 2.798 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2c(CC)nn(C)c2OC)c1 1722305885 WFFIKTNSHARTCJ-UHFFFAOYSA-N 472.553 2.682 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722312074 TWCBEOHSEGCULT-UHFFFAOYSA-N 464.961 2.618 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722360033 RGFHCVFHKDFKOW-FUHWJXTLSA-N 480.537 2.600 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1722370834 QTTPWJCAWZKCTO-LJQANCHMSA-N 484.578 2.751 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(OC)c1 1722410229 XKMFQSLXBLYJFG-UHFFFAOYSA-N 452.584 2.949 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2csc(CC)n2)CC1 1722435650 LZLCAAZYMGEYOW-UHFFFAOYSA-N 452.584 2.785 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(C)c(OC)c2)CC1 1722445292 ONJIBTAAPSSZIL-UHFFFAOYSA-N 458.566 2.866 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722468771 PTFFVNYLIPVROZ-BBTUJRGHSA-N 473.540 2.647 30 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476.526 2.534 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)Nc3ccccc3OCC)cc21 586326206 JRGAQZRILOWWTI-RCUPCANXSA-N 470.547 2.955 30 10 JFEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729669891 VDZYEMMNUUWXGK-UHFFFAOYSA-N 497.605 2.951 30 10 JFEE CC#CC[C@H](NC(=O)c1n[nH]c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1)C(=O)O 757211804 OIWDOLXZFTWPKJ-IBGZPJMESA-N 459.462 2.762 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cn(C)nc1C(=O)O 757518076 VTHYPMWXLSUGTK-FQEVSTJZSA-N 458.474 2.987 30 10 JFEE CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 916948795 HZGDUXGCDOYKMX-JOCHJYFZSA-N 482.562 2.710 30 10 JFEE COc1cccc(C=NNc2nc(SCC(=O)NCc3cc(OC)cc(OC)c3)n[nH]2)c1 1084105242 MOBFRAYRFIAVBS-UHFFFAOYSA-N 456.528 2.685 30 10 JFEE Cn1cc(C=NNc2nc(SCC(=O)Nc3nnc(SCc4ccccc4)s3)n[nH]2)cn1 1084551641 QVFGGYKEYQNUEZ-UHFFFAOYSA-N 486.612 2.859 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCN(C(C)=O)C3=O)c2C)c1 1140593881 BITYGRUGAGPEFK-UHFFFAOYSA-N 453.520 2.833 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1 1159127131 VYBDZNHMPMMYAH-KKSFZXQISA-N 459.543 2.772 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)c1 1179754199 XDFPXIZFWXFLFZ-GOSISDBHSA-N 457.552 2.650 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1286393933 MGSWGIBELDKJRM-JLAWEPINSA-N 492.592 2.979 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1286396848 IVTQDDMAGHVJQI-WMLDXEAASA-N 471.480 2.582 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1286435764 IPBXMMJIJAONLG-GOSISDBHSA-N 457.962 2.864 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1286444976 DLXYXQHKSOVNSH-FQEVSTJZSA-N 474.650 2.963 30 10 JFEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1286454023 YUJPRQMBSMCISQ-IBGZPJMESA-N 467.492 2.588 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(CC)CCC(F)(F)F)CC1 1286475731 HNHDPMGVMGIICZ-UHFFFAOYSA-N 478.519 2.703 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286499559 IZIUOTVKSOFIRY-MSOLQXFVSA-N 480.432 2.797 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286557667 XDNFQLIMDJGYDS-UNEWFSDZSA-N 467.496 2.599 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1286568648 XCAWRFRHVJIGKB-HYBUGGRVSA-N 464.570 2.802 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1286582295 VUKGXIRBRZNVRT-LJQANCHMSA-N 484.022 2.724 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1286652511 XYMQAUZKMMUGAV-IRXDYDNUSA-N 463.604 2.767 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCOC1 1286745129 PYLSHEMWCLZTKE-HSZRJFAPSA-N 471.558 2.753 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CC 1286766788 WMQSCFPIOKZFAW-UXHICEINSA-N 461.632 2.883 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300384489 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C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2OCC)CC1 1300728723 DUUNBYRTTFAFLF-UHFFFAOYSA-N 489.624 2.861 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)NCCOC)CC1 1300851304 OTOAPMNEPJYVLS-UHFFFAOYSA-N 492.418 2.765 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1300915235 KOSULXFTEFGFDP-KRWDZBQOSA-N 453.634 2.923 30 10 JFEE COCC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCC1 1301116416 GTOOOYNVDYTHEP-HSZRJFAPSA-N 452.559 2.637 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1)C1CC1 1301327747 WEPBCAHKGHLLFG-HXUWFJFHSA-N 467.636 2.505 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1)C1CC1 1301327781 XBPPQEMUUBVQEF-FUHWJXTLSA-N 473.590 2.981 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1301402598 ODKMGMYRUATKDW-XMMPIXPASA-N 466.630 2.571 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2nnc(C)s2)C1 1301544529 XYJHGOFYOJQXTI-QGZVFWFLSA-N 474.612 2.533 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1301569174 RVWHXVLAYFFHMC-RTBURBONSA-N 465.664 2.867 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCCO[C@H](C)C1 1301575137 BXFFQTUEYPAJLM-OAHLLOKOSA-N 469.405 2.924 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1301589431 RUJDYHNFVRBZDE-UHFFFAOYSA-N 465.664 2.552 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1301610165 SKEFUWRMVRVHSD-HXUWFJFHSA-N 456.616 2.621 30 10 JFEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)cs1 1306016802 BSXXFJULZPUTFI-UHFFFAOYSA-N 451.556 2.967 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 1358900391 JEATUJBCOXUBLK-SIKLNZKXSA-N 466.586 2.534 30 10 JFEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1358906245 ARZFTEZOIBMHKY-UHFFFAOYSA-N 491.409 2.860 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358958743 VEGUJTPNIWLYBP-HXUWFJFHSA-N 459.616 2.595 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1358960613 ILGYXWLTQTVIEG-LJQANCHMSA-N 468.608 2.522 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1358960864 NCOXQMBWSOVLPT-FQEVSTJZSA-N 469.636 2.822 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc(Br)cn1 1358972099 TWYFVOMNNKZLSY-UHFFFAOYSA-N 469.343 2.694 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359026899 NWSZRROXLKSICE-HXUWFJFHSA-N 471.606 2.625 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H](C)N2CCCCC2)CC1 1359032970 KXPYIGDOZFJKPH-NRFANRHFSA-N 466.630 2.982 30 10 JFEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359060748 GTTIDJZYQFYHHY-JTHBVZDNSA-N 469.655 2.997 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCCC2=O)CC1 1359077933 OPDUPJNOILKCAB-OAHLLOKOSA-N 456.385 2.502 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 1359228032 RTDYBFLJCIIUGU-LJQANCHMSA-N 473.578 2.606 30 10 JFEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1359236700 VVJGEESBHUQKTE-HTXNQAPBSA-N 457.332 2.856 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCOC1 1359255193 RDOHDNQHTQFNFO-HSZRJFAPSA-N 455.584 2.986 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2ccc(Br)cc2C1 1359302360 DXHANDNAWJTDQT-UHFFFAOYSA-N 467.371 2.891 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359331776 HYKUSQZAXPPGRO-GUDVDZBRSA-N 497.662 2.512 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(Cc2ccccc2)CC1 1440672445 IIEFJWDFXWLHOO-HXUWFJFHSA-N 451.011 2.956 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 1445964908 CPMGSKCGHJOCEW-UHFFFAOYSA-N 456.351 2.555 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C)C[C@@H]3CC(C)C)nnc12 1472623679 GKXBDPOMSMBLJD-KRWDZBQOSA-N 454.600 2.511 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1501748453 CMXUSJMQQKPTIU-FGZHOGPDSA-N 466.586 2.850 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](C)C2)CC1 1502340228 FHWGZUGWZWAXFZ-PCCBWWKXSA-N 451.619 2.704 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)C)C1 1504873024 APSYZMSJSAZZMZ-GOTSBHOMSA-N 479.629 2.874 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507576663 YXNAPXVXQWTRGZ-SANMLTNESA-N 481.597 2.790 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1507603019 SHUPMWSHIGAXQO-OZXSUGGESA-N 467.614 2.770 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(CC(F)(F)F)CC1 1507618162 IOKOPSVOBJIFQD-UHFFFAOYSA-N 454.522 2.613 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507625813 BAKAMJKDXIEUFY-OAQYLSRUSA-N 466.611 2.651 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1507629024 ZHTBAZSCGJUALO-KRWDZBQOSA-N 498.447 2.725 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(C)=O)cc1 1507669148 HWLPHBKLHMZVSL-UHFFFAOYSA-N 482.592 2.922 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507713956 CWIVPNCZNRULKE-DHLKQENFSA-N 454.571 2.980 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC(=C)C)CC1 1507731695 OOQYNTWSVJXRCZ-NRFANRHFSA-N 472.634 2.741 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNc2ccccn2)CC1 1507735114 KQGFBVPLSCPWCY-UHFFFAOYSA-N 473.581 2.817 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[C@H]2CC)CC1 1507740527 NLVLKIFYMMRNLB-IFMALSPDSA-N 451.619 2.932 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1507841047 VUWIWUWCCYVSPK-UHFFFAOYSA-N 455.651 2.871 30 10 JFEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507930927 LZWYWWQPCKNBOI-HXUWFJFHSA-N 454.623 2.558 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1507936263 ZWCAZNIPYPDQDV-ZWKOTPCHSA-N 457.666 2.545 30 10 JFEE C=CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC)C1CC1 1507993954 LCPITOBXTCLIGF-UHFFFAOYSA-N 470.599 2.825 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(CCC)CC2)C1 1508109070 KJALROZSZBRHSC-FQEVSTJZSA-N 453.591 2.829 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)C1 1508123692 NOSPCLWGJFCILM-CLOONOSVSA-N 488.633 2.652 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN2CCOC2=O)C1 1508127468 LGYZUNAASMEYKU-CEXWTWQISA-N 490.605 2.672 30 10 JFEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1510011756 HIXJWTNPJZGITJ-MRXNPFEDSA-N 468.562 2.921 30 10 JFEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)sc1C 1510421024 FERLHCJEVXFFEM-UHFFFAOYSA-N 451.600 2.901 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1515009268 FLJTYDULEUAXGJ-QHCPKHFHSA-N 477.613 2.818 30 10 JFEE CN(C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)CCSC1 1516987754 DNBNTPFJLNDDIE-DEOSSOPVSA-N 467.643 2.736 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(C(F)(F)F)cc3)cc2C1=O 1527648140 BPEUVUAHWMHJGQ-SFHVURJKSA-N 457.408 2.801 30 10 JFEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1539067372 DCKDGFDMZGFGOO-UHFFFAOYSA-N 475.597 2.927 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1539089456 NCZCTFUYPGBGMQ-UHFFFAOYSA-N 468.989 2.724 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1539212639 WRVLRNPVBOFTKI-SFHVURJKSA-N 473.986 2.643 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC(OCC)C1 1539268060 DFYMLHKBNNCNND-XVAXZDLZSA-N 471.602 2.865 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCSC1 1539423189 TZDABSRYAPIERP-HXUWFJFHSA-N 481.416 2.574 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1539468323 DMIOSYPXSJRTIK-LJQANCHMSA-N 482.604 2.781 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCSC2)CC1 1539470468 QUJUITMLZLYRNU-CQSZACIVSA-N 477.432 2.755 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cc(C)on2)CC1 1539474137 KGWZYZFGBIBSSZ-UHFFFAOYSA-N 468.945 2.918 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1539519810 KLODLERCXUDSEA-UHFFFAOYSA-N 451.581 2.977 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(COC)CC1 1539751598 QATARISPNRPTLH-UHFFFAOYSA-N 455.607 2.908 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1C 1540133455 GHQLPBUWNUINCP-KRWDZBQOSA-N 458.563 2.972 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 1540243467 SZPFOVAEYWDOIR-MRXNPFEDSA-N 459.572 2.749 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1540854600 SGPKKYWTVNUUAW-OXQOHEQNSA-N 490.450 2.611 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540854982 RGRQVRKWPWZSGY-HDICACEKSA-N 473.599 2.838 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CCc2cccs2)CC1 1540872538 RZHYYDSNARHDIL-UHFFFAOYSA-N 468.602 2.736 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2OCCC2(C)C)C1 1540885166 CSUCHLZUPQQIFS-AZUAARDMSA-N 460.600 2.945 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1540895967 CODGUMBJFGATCM-QFIPXVFZSA-N 465.554 2.702 30 10 JFEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)=O)CC1 1540916421 WXRCUGDGCHEGRA-IBGZPJMESA-N 478.663 2.980 30 10 JFEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1541771844 HUPQZWQFEBJDOU-LJQANCHMSA-N 469.615 2.911 30 10 JFEE CNC(=O)[C@H]1CN(C(=O)c2cc(C)[nH]n2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375296 HSXGLNSIEJCMAW-GOSISDBHSA-N 474.487 2.713 30 10 JFEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cc[nH]n1)CC2 1548379472 SESLOLHDTRCSBR-SFHVURJKSA-N 474.487 2.747 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccnc2OCC(F)(F)F)c1 1555987407 GRXXZAVWGWNZPV-GOSISDBHSA-N 469.427 2.930 30 10 JFEE COc1cccc(C[C@H](O)C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 1565661450 DLEUHDKMLCYMFZ-SFTDATJTSA-N 458.356 2.770 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)c1 1570769828 LAEPVHKNBDDWMH-LJQANCHMSA-N 453.358 2.551 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2csc([C@@H](C)OC)n2)c1 1587683322 HJXRXLLFVDXVDF-MRXNPFEDSA-N 495.609 2.685 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCCC2)c1 1587689584 MKBODGRMSQNELE-MHZLTWQESA-N 494.640 2.861 30 10 JFEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1587831887 VWCPYOFFQCVUFO-HNNXBMFYSA-N 484.395 2.778 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588040179 IYHBHUKWSGBXJE-PMACEKPBSA-N 491.061 2.741 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588040774 QIBYNKVCZKYJPP-LSDHHAIUSA-N 499.456 2.822 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNS(=O)(=O)CC 1588099396 LZYSWFGYTGCRHM-UHFFFAOYSA-N 459.641 2.678 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1588205213 HBUYLRXOKXIQIL-FQEVSTJZSA-N 451.571 2.536 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)Nc1c(C)cccc1C 1588219622 WXRNUMFIFUKZRY-UHFFFAOYSA-N 458.522 2.724 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nccs1 1588245380 AYGWJPPHBYXKSE-UHFFFAOYSA-N 459.623 2.611 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCCC(C)(C)C2)CC1 1588947700 TXCQSDCJNGSHQM-UHFFFAOYSA-N 492.668 2.965 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1588994273 UCTCWVYWHNBUOG-MRXNPFEDSA-N 477.432 2.614 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589347357 OBXXEIPKKHBHSC-ZDUSSCGKSA-N 460.785 2.916 30 10 JFEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1589421537 QCBVWZJACXBHIW-UHFFFAOYSA-N 450.385 2.901 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1589493120 GBPCAYCJWCYEKQ-WWMYMODYSA-N 468.558 2.518 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1 1589663135 IQHACMBECPZYQG-SIKLNZKXSA-N 498.049 2.575 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C(C)C)C(C)C)CC1 1594240880 BVPAUZRNSGGKMF-OAQYLSRUSA-N 482.695 2.522 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1594520608 ARVLEACBEKVJSK-UHFFFAOYSA-N 472.619 2.709 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1594913001 CORZHXCBKYJXGN-HNNXBMFYSA-N 478.391 2.833 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1595562173 PNADTGSXQHYPBN-LJQANCHMSA-N 474.537 2.792 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1595577515 VRHOWHXDFYOTSZ-AZUAARDMSA-N 484.601 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595831305 OWYAULJPOPHPCJ-GCJKJVERSA-N 454.637 2.792 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1595871668 WAZUGAOUPMPYGK-UHFFFAOYSA-N 495.653 2.995 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)[C@@H](C)C1=O 1607493259 GZSKWGKYQZCMOR-SFHVURJKSA-N 463.586 2.569 30 10 JFEE Cc1ncc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CC2)s1 1612438943 BRFMPERMWMZQJC-QGZVFWFLSA-N 450.616 2.854 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCS1 1612977465 DJDXNIWGXRXOGN-SFHVURJKSA-N 456.616 2.781 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCCC2)n1 1619794473 HJCPKNFDMTXQME-UHFFFAOYSA-N 464.574 2.901 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 1627937744 FEFHHNZWHBQRMX-UHFFFAOYSA-N 456.351 2.819 30 10 JFEE C=CCN(CCC#N)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1628429730 ICZJQAIMJGXSCT-UHFFFAOYSA-N 453.337 2.677 30 10 JFEE C#C[C@H](NC(=O)[C@H](CCC)NC(=O)NCc1ccc(Br)cc1)C1CCOCC1 1633417396 FFTVQDOVYYGYMM-OALUTQOASA-N 450.377 2.962 30 10 JFEE CC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCN(c2ccc(Cl)cc2C#N)CC1 1635378105 DKOVOENLFYSXMZ-UHFFFAOYSA-N 453.934 2.888 30 10 JFEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc(Br)c(C#N)c3)cc2)[nH]1 1639394033 BUMWCSPNNONYTE-UHFFFAOYSA-N 455.268 2.768 30 10 JFEE C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1645924725 FUEBXNRXIJDTDW-YLJYHZDGSA-N 459.506 2.957 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCn2ccnc21 1690036998 IPIYNLXZTYZDHM-HXUWFJFHSA-N 462.579 2.586 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1690092883 ZTWSPAYFSWXMBT-PMACEKPBSA-N 467.618 2.768 30 10 JFEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(I)cc2)CC1 1690130843 OIEFQXXXBALSLK-UHFFFAOYSA-N 461.351 2.639 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCN2CC)CC1 1690152589 QKVLQJASZYCKKD-QHCPKHFHSA-N 478.641 2.924 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN2CCOC[C@@H]2C1 1690165988 PUTGTNVWFBBNHX-INIZCTEOSA-N 462.417 2.595 30 10 JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690167861 PBVBLUVIZDXRLG-UHFFFAOYSA-N 452.559 2.752 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1 1690185049 RRLWJLZGRJKTAH-ZDUSSCGKSA-N 454.383 2.842 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690188091 DMPAVQHTCDWZBY-SFTDATJTSA-N 475.659 2.597 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1690202764 DMNNMUBNKGMECG-RUZDIDTESA-N 461.570 2.582 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690232327 HMWRBCALDBGKKG-KRWDZBQOSA-N 486.330 2.907 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690242716 BRYRHPSLBRLPCB-ONTIZHBOSA-N 489.642 2.660 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1690432477 DXNCLXUIVALZBK-KRWDZBQOSA-N 459.620 2.653 30 10 JFEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690508672 MYMGOBQKDBARIM-RBBKRZOGSA-N 460.667 2.838 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1690648210 PCVCLOGORBHSAY-UHFFFAOYSA-N 452.584 2.929 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690664147 KQVCGPWOXMXHIP-ZWKOTPCHSA-N 487.402 2.566 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCN(C)C2)C1 1690691886 MZUKDNKJXOAUFB-IERDGZPVSA-N 480.382 2.695 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCN2CCOCC2)C1 1690714497 NGZSLXCHFFERKM-SFTDATJTSA-N 490.649 2.854 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1694211333 CEMNXNACXYTZSR-GOSISDBHSA-N 465.602 2.816 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C1 1695412446 DEFZBFFKNAVPFA-CJFMBICVSA-N 468.602 2.878 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(OC)ccc1OC(F)F 1705556322 PKZSIGMKANWOKG-UHFFFAOYSA-N 461.494 2.997 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1705619798 BTHUPJOFHWTZIH-UHFFFAOYSA-N 490.587 2.709 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CCCCC1 1705623303 NBWNTODSFCMPGS-UHFFFAOYSA-N 482.585 2.974 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(OCC)c2)CC1 1705652957 TXTBSGQRHDJEAI-JOCHJYFZSA-N 451.571 2.737 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705661042 PIYMHSARLBOXAN-INIZCTEOSA-N 469.508 2.879 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1705730476 JXWNBAONIWZEIE-FQEVSTJZSA-N 477.631 2.649 30 10 JFEE C=CCCCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1705824158 IFWMYALYIUJTEE-JPYJTQIMSA-N 465.595 2.626 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCn2cncn2)C1 1705919366 COOFTZINVCBDOX-MRXNPFEDSA-N 474.363 2.789 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 1705924016 SCUDLACIGFDUIZ-SFHVURJKSA-N 458.607 2.903 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1705926385 CJQMESQRFSFDBL-RTWAWAEBSA-N 453.587 2.768 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccc(C)s1 1705931006 BRLNVZJGQUPHEJ-UHFFFAOYSA-N 494.664 2.956 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705932341 BYNHBXJKVDKNFZ-UHFFFAOYSA-N 489.617 2.914 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(Cl)ccn1 1705937397 SIYJKOBEJHPRFU-UHFFFAOYSA-N 486.001 2.802 30 10 JFEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OC)CCN1CCOC 1709335091 FDGNVVVGYHFYBP-JOCHJYFZSA-N 461.570 2.816 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1709819789 CVNWPYKUJQGEES-HXUWFJFHSA-N 466.586 2.776 30 10 JFEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)OC 1712152551 DXINJXWUXSHEOP-PZJWPPBQSA-N 468.602 2.857 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1722277520 LZBLLHLMXNHGQT-AZBNOLQMSA-N 452.490 2.542 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722278501 PIOFBULBHQBWSX-YWZLYKJASA-N 457.522 2.548 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1722279512 HJKZGTGZNOWZIV-HUUCEWRRSA-N 451.390 2.990 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(F)(F)F 1722291067 OBKGXQGLZTVYRT-LSDHHAIUSA-N 461.485 2.971 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccccc1)N1CCOCC1 1722399757 SDWOXPFXNRAQIG-VWLOTQADSA-N 454.578 2.800 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)CN1CCOCC1 1722419586 BYECOWURSSJRIR-IRLDBZIGSA-N 455.578 2.919 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)cc2F)n1 1722429928 VAXDGCVWHRVFBG-IBGZPJMESA-N 470.524 2.981 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)CCCO1 1722450169 ZCSQLECDYWNCAS-RUZDIDTESA-N 464.570 2.891 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCSC2)C1 1722454065 IJJXXTYDGGHNLY-JOCHJYFZSA-N 491.708 2.895 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722461696 UIHOUAYYUVXJRT-UHFFFAOYSA-N 482.654 2.972 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 1722495446 RUSTWKQCVUWOOL-PZJWPPBQSA-N 470.599 2.700 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1722519174 MVVXIEIRNLZVFE-MRXNPFEDSA-N 479.603 2.529 30 10 JFEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)N2CCOCC2)CC1 1722561202 PFVWUPFGSWJFPQ-UHFFFAOYSA-N 464.339 2.862 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1722580628 FFZMDMVOZZIAPX-VXKWHMMOSA-N 479.691 2.720 30 10 JFEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCS(C)(=O)=O)CC1 1722580721 FVKLIEWUYMXEIL-UHFFFAOYSA-N 467.636 2.840 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722683637 SADVGVHNKAFKME-UHFFFAOYSA-N 486.374 2.951 30 10 JFEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 1722706312 QXLDGRACJPCBKA-IBGZPJMESA-N 459.616 2.876 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ncccc2C)C1 1722715837 RSQLWFOUMHJUIP-HXUWFJFHSA-N 482.610 2.728 30 10 JFEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722730843 FGTHWUBRGPOVBY-LJQANCHMSA-N 452.603 2.769 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CS(C)(=O)=O)CC1 1740604912 JEGOQBOJPULXHQ-UHFFFAOYSA-N 455.353 2.741 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1740627472 HQINLJCMKDSPPF-SFHVURJKSA-N 474.583 2.927 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740627658 RSFQTPCUMUEDDJ-SFTDATJTSA-N 461.607 2.545 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)SC 1740647539 QGTPYLYTDFQBTN-UHFFFAOYSA-N 459.641 2.800 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)NCCC)CC1 1740691123 VASSATYFDIUHIT-OAQYLSRUSA-N 452.603 2.706 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCSC2)CC1 1740691276 YJKSGHCBWSHAMX-HTAPYJJXSA-N 462.019 2.695 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCc2c(C)noc2C)CC1 1740704102 KGIZOZXBCBCCMP-UHFFFAOYSA-N 450.518 2.898 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC(F)F)cc2)CC1 1740707164 RHTRWWBXPFBSMO-UHFFFAOYSA-N 480.519 2.879 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1740711254 KYHTZYKIBHYLRY-UHFFFAOYSA-N 491.459 2.908 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1740721792 UCRWTUAJXCMKON-UHFFFAOYSA-N 451.600 2.592 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1740759977 NDPYTOBWGQQGMK-ZHRMCQFGSA-N 453.587 2.916 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740785756 ZYXSXDMAZGAYGC-UHFFFAOYSA-N 453.547 2.846 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](C)C1 1740792796 MNEDHNMIVATWED-OTWHNJEPSA-N 465.595 2.793 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740843993 AYBKQAMRFBTJKX-SFHVURJKSA-N 488.658 2.890 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740953744 PONCESBGJFPULN-UZLBHIALSA-N 498.436 2.671 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1740991670 BDCZLKFJBSCGJW-RBBKRZOGSA-N 479.691 2.864 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1740993777 IORJXBGFDWNBIP-IBGZPJMESA-N 478.590 2.850 30 10 JFEE CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1741179492 FQRXJGAVQWRTKU-HXUWFJFHSA-N 457.600 2.893 30 10 JFEE CC1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1743124037 BUGJHQMHFYZZEM-OALUTQOASA-N 453.591 2.549 30 10 JFEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)cn1 1747568606 CTOLFFQPRLDKJR-UHFFFAOYSA-N 458.570 2.808 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C\c1ccccc1 1748751780 MCINVEYUOHFXAG-XBXLIOEISA-N 457.600 2.564 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1748765858 WZFVKFOXNDTIEY-UGKGYDQZSA-N 471.989 2.918 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1sc(C)nc1C 1748790346 XIZMFJFJZMMOEG-KRWDZBQOSA-N 460.604 2.972 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1748810100 RXQPWDBSBGUEIN-UNMCSNQZSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1C[C@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1748820618 FWVXMWXMUANGFI-PMACEKPBSA-N 460.575 2.854 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCOCC1 1748926311 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2.737 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)C1 1749792340 QFYSVVCUJQTMPI-VXKWHMMOSA-N 466.586 2.565 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1749878256 DMTQTBTZNIZGMV-UHFFFAOYSA-N 495.628 2.985 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1752565311 CPAMOTBWQPHIEZ-JEYPMZLKSA-N 495.672 2.742 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1760111059 JUCXYYUIWNRGAQ-ZWKOTPCHSA-N 463.586 2.685 30 10 JFEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760131922 DXBAQOPAKJPQFE-SFHVURJKSA-N 460.376 2.771 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760186408 NDVDTPNTWPEREX-CRAIPNDOSA-N 453.033 2.901 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760190851 ZXVTXTHZWZIDOE-JOCHJYFZSA-N 482.610 2.573 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1nnc(C)s1 1760201843 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1760554323 ZSQFXLRXQHVDOS-UHFFFAOYSA-N 496.637 2.722 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1761729017 HFMIZSYSYPDMRD-YADHBBJMSA-N 468.602 2.560 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1765216085 HGRLIFFZZXIZOY-QFIPXVFZSA-N 455.588 2.618 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1766641763 GCWMADPTSZOVCF-UHFFFAOYSA-N 484.557 2.715 30 10 JFEE CN(C)CCOc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1766927506 ACFNRSJLGSCAOL-AREMUKBSSA-N 479.629 2.827 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1768658668 DGYMPBZQRZPMPD-UHFFFAOYSA-N 479.585 2.889 30 10 JFEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1769032808 GCEGMVGUTOQTCG-UHFFFAOYSA-N 454.556 2.506 30 10 JFEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(N2CCOCC2)CCSC1 1770427829 AFICPUOOUHWYKZ-DVECYGJZSA-N 470.643 2.681 30 10 JFEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 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O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1543636864 AAGSTZCHBYXJKV-JMSVASOKSA-N 458.374 2.871 30 10 JFEE Cc1cc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@H]2C(N)=O)no1 1548380021 OIUNNWASWHJWFJ-SFHVURJKSA-N 461.444 2.860 30 10 JFEE CN(CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)CC(F)(F)F 1554291461 CXWVNKYQMJZJNM-GOSISDBHSA-N 478.523 2.607 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 1556249231 BWNFCWODQLDMEU-ZDUSSCGKSA-N 452.458 2.742 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCCC2)c1 1587684027 RBWGWOWPHDJJEB-HSZRJFAPSA-N 491.640 2.691 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)n(C)c2=O)c1 1587692399 DFTASEIRQMGJFO-JOCHJYFZSA-N 474.565 2.631 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1587783139 KWBPWLNLDFRAIT-IBGZPJMESA-N 483.642 2.655 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1588040713 PIGSAJZLFPPUFL-HNNXBMFYSA-N 455.367 2.986 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588054662 PIWKOQLOSQCGCE-WOJBJXKFSA-N 464.632 2.538 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C 1588159244 SSDWAWVKIXMMFF-NDEPHWFRSA-N 474.653 2.657 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN(C)C(=O)OC(C)(C)C 1588251729 XFNJSRRQJOMTOT-UHFFFAOYSA-N 453.591 2.860 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCN2CC)CC1 1588813584 ZGPRHUAWDLXSPH-JOCHJYFZSA-N 485.677 2.632 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1588871476 FEPCMCSFLNJAHW-HYBUGGRVSA-N 451.571 2.602 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1588930081 NCWZKSVCABLGMZ-VSKRKVRLSA-N 457.619 2.589 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN2CCC)CC1 1588946327 BKIWVCUFRNITOF-QHCPKHFHSA-N 466.605 2.848 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CC=CCO2)CC1 1588961616 GMMMMELZNPRLOA-HSZRJFAPSA-N 463.582 2.785 30 10 JFEE C=CCCCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1594774633 LZVQQBWNPRYIFL-XMMPIXPASA-N 457.550 2.884 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1595496738 FRWCIIZYXBRQTL-BPQIPLTHSA-N 460.376 2.871 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1595593483 FGLJBUUBUZSKHJ-UHFFFAOYSA-N 492.653 2.914 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1595659406 XUPUGADQQQCAOM-QFIPXVFZSA-N 487.626 2.627 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1595824042 VSUJJFWFHQUZTN-RTWAWAEBSA-N 475.659 2.994 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2COC[C@H]2OC)ccc1Cl 1596629656 DLUAHPOSDMVBNI-RBUKOAKNSA-N 450.944 2.865 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1596821319 CHNPTCIJTQUEOH-IBGZPJMESA-N 487.612 2.798 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CCN1CC(F)(F)F 1612977062 ANOUARWVEQFXPZ-SJLPKXTDSA-N 464.492 2.838 30 10 JFEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)C1 1618859537 DAQAYTGDYWEVJR-SFHLNBCPSA-N 453.543 2.933 30 10 JFEE CO[C@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619488730 FKINVHHTWUIKEO-ICSRJNTNSA-N 454.623 2.922 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 1622563081 FMSDWWFKBCVZOM-UHFFFAOYSA-N 451.545 2.802 30 10 JFEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1)[C@H]1CCCO1 1657701626 NBINXNNOCSPUJE-PZJWPPBQSA-N 455.536 2.953 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 1667321735 DYRYHRYAZRUMIE-NRFANRHFSA-N 456.568 2.806 30 10 JFEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689908182 YUVSDAMCBXHTRU-TZIWHRDSSA-N 453.591 2.587 30 10 JFEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1689938870 ZIRGTJKNERIZTL-UHFFFAOYSA-N 465.533 2.843 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689988514 QTDIZVPGUXFJIO-VQTJNVASSA-N 482.654 2.794 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689993821 MDZPICFEJNLJLT-DHIUTWEWSA-N 469.655 2.940 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689994385 XGFYWZNUPDZMLO-XUZZJYLKSA-N 474.602 2.684 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689997188 XNQRGEATJHGSRZ-OAQYLSRUSA-N 487.695 2.991 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)c2cccs2)CC1 1690115666 OPJHDXZWGCFPCT-UHFFFAOYSA-N 499.438 2.954 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)N(C)C)CC1 1690139630 VEJJKGXDAMGZQV-CQSZACIVSA-N 479.448 2.685 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1690142992 ZDCOJPZGEBFPBW-RUZDIDTESA-N 478.984 2.867 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690240608 IEMJDGBJKLGMKS-HOKHCIIBSA-N 496.656 2.972 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 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1705540761 MENVGHIKTZLJAV-UHFFFAOYSA-N 459.432 2.574 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1705562939 NEAMHBNOIYIPOD-AWEZNQCLSA-N 453.337 2.808 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2s1 1705588320 CFHWZOYLTOXAJG-KRWDZBQOSA-N 455.609 2.809 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1705588601 CHXIHPOJWFUTJO-QFIPXVFZSA-N 460.582 2.869 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1N1CCOCC1 1705600270 RVHKVVNGXQUUNQ-UHFFFAOYSA-N 454.578 2.920 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1705620446 TZUZBTCXEHFXDK-MRXNPFEDSA-N 478.500 2.599 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCn2ccnc2C)CC1 1705646393 DUQUNZZJIYOSCF-UHFFFAOYSA-N 483.523 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCOC)CC1 1705651150 MACXGXVPWBTSIZ-UHFFFAOYSA-N 453.587 2.901 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1705859940 KJWINAVSSNAZQL-DHIUTWEWSA-N 477.613 2.650 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705899348 PVDMSUQZJUCEOY-UHFFFAOYSA-N 450.568 2.580 30 10 JFEE CCO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 1710412702 GLXVUNGMDGJAFC-QFIPXVFZSA-N 488.596 2.787 30 10 JFEE CN(CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C 1711209100 DIANENCELLRLOA-UHFFFAOYSA-N 477.573 2.733 30 10 JFEE CO[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1711518022 BORJWZOBLDFXPC-NRFANRHFSA-N 462.602 2.759 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCN(CC)CC1 1722296427 PURDSPLVZFEAFK-QTEQDKRBSA-N 452.603 2.522 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2Cc2ccc(-n3cncn3)nc2)c1 1722305321 PDDCCHPUORQTKH-GOSISDBHSA-N 469.553 2.872 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCCn2ccnc2C)c1 1722308659 CQHHDNMSBCHJFO-UHFFFAOYSA-N 471.569 2.720 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 1722316318 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C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540864197 SGEXVWPKLQDZHT-QHCPKHFHSA-N 476.629 2.568 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1540875616 ROAHVWVKUAITDF-UHFFFAOYSA-N 466.611 2.851 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1540895124 MAKDEJLSORZYSH-IAGOWNOFSA-N 490.630 2.964 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)CN2CCOCC2)C1 1540895983 CULHXKDJNXPQAW-DXBBTUNJSA-N 461.651 2.946 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540913832 VAWRGBKAEITTQV-IBGZPJMESA-N 495.653 2.947 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCC2(CCCCC2)O1 1541917675 HHWDHVLBCZNEGE-HKUYNNGSSA-N 464.636 2.900 30 10 JFEE C#CC[C@H]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)cc2)C1 1542600792 ZYPYQSVHBVQLIG-PXNSSMCTSA-N 452.580 2.985 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2cc(C)[nH]n2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375299 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RLXSIGNQIVOEAL-UHFFFAOYSA-N 483.418 2.533 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)CN2CCCC2)CC1 1588871778 PVEQZBUNSBNFNE-UHFFFAOYSA-N 454.594 2.873 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1589053514 PWWJIJXYGOKGRV-MRXNPFEDSA-N 481.582 2.675 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1589570860 WVDGBWIGYHUODB-MZKRTTBSSA-N 464.570 2.672 30 10 JFEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 1593782851 WWFPPQKWDDVQFV-IQGLISFBSA-N 482.585 2.530 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1594192502 JRYUZFLPCGGMDK-XMMPIXPASA-N 489.642 2.678 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1595219493 VBXIJUGLTUKOOW-RTWAWAEBSA-N 490.649 2.733 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1595399328 XSBZMMZOTSHZQW-GOSISDBHSA-N 468.606 2.989 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CCN(C)CC2)C1 1595681522 SEJOCRWBFVIFPE-YKSBVNFPSA-N 479.691 2.927 30 10 JFEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1cccs1 1617632522 GGDDWWDATCXLPJ-MOPGFXCFSA-N 470.624 2.804 30 10 JFEE C=CCCn1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)nn1 1618706604 RPVLPAFUIHQHFW-UHFFFAOYSA-N 457.512 2.925 30 10 JFEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)cc1 1670147234 APWMKSCBLUQNNH-KRWDZBQOSA-N 458.540 2.915 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 1670845357 NYVCYFVKCKPZLO-ZDUSSCGKSA-N 450.293 2.871 30 10 JFEE C#CCN(C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12)[C@H]1CCS(=O)(=O)C1 1676389631 VFMOYVHJYXXVNG-IBGZPJMESA-N 454.527 2.781 30 10 JFEE C#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)c1ccccc1 1685764402 RAQOEUIDFIDZCR-HXUWFJFHSA-N 456.524 2.684 30 10 JFEE N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 1686168833 CCJHGACFKVUVLQ-NRFANRHFSA-N 453.493 2.859 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](CC(C)C)NC(=O)OCC 1689964402 NJVQZRZMMKCFEC-HXUWFJFHSA-N 468.606 2.682 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689982114 IFIARGZBFLDLSD-RTBURBONSA-N 450.992 2.896 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1689993456 DWJFJLNVLAUPCG-LJQANCHMSA-N 470.620 2.808 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCN1CC 1690025602 XOUOXLUWHFQYDL-AREMUKBSSA-N 473.669 2.590 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C(C)C)CC1 1690137852 KLLAMMIGGZYTKH-IBGZPJMESA-N 491.434 2.683 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCSCC2)CC1 1690139690 XPELRAUOKMPIKQ-UHFFFAOYSA-N 473.046 2.613 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690174924 MEIMTZKCGCMEAY-MRXNPFEDSA-N 458.600 2.952 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690228850 HFWJBCHCKXHHQF-CUYAVPTFSA-N 495.466 2.508 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCn1cccn1 1690251627 XCJSDNIXNYXDQF-XLIONFOSSA-N 455.588 2.584 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1690299469 SGVYSHQBIQCKHR-UHFFFAOYSA-N 450.547 2.636 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690311039 BMJNYDGOQRKSLT-KBMIEXCESA-N 488.633 2.702 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690328099 FANFFDFDEQRYFE-OAHLLOKOSA-N 464.979 2.560 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(CC)nn(C)c1CC 1690523276 YCGFNEATHZZKTA-UHFFFAOYSA-N 456.620 2.767 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2)C1CC1 1690537162 LDVZSFDOYDELDO-CQSZACIVSA-N 450.634 2.621 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1)C(C)C 1690581748 XWWVDKBFMDXXHV-HSALFYBXSA-N 467.705 2.821 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1690664572 XUMZLAXZUGFNIK-UHFFFAOYSA-N 468.945 2.651 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN([C@H](C)c3nc(C)no3)CC2)cc1 1690678119 LORRKSNCNKBQSC-GOSISDBHSA-N 494.600 2.604 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2nccs2)C1 1690729293 LBRYOVXLOUGFTM-IBGZPJMESA-N 489.623 2.801 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)c1nccs1 1705482325 WZCGAAXHDVQMRD-HZPDHXFCSA-N 458.613 2.914 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2nc(C)cs2)c1 1705504135 NYQCBDZTESVLHP-DEOSSOPVSA-N 480.594 2.800 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@]2(N(C)C)CCSC2)c1 1705505764 SPCUUNDHGNRYOQ-VWLOTQADSA-N 475.622 2.834 30 10 JFEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705550382 XQOBTOCTXALYGM-MRXNPFEDSA-N 456.547 2.722 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705568377 MRBGYDDRADKMLD-GOSISDBHSA-N 471.608 2.605 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)OCCc2sccc21 1705574568 HLAAQYLOCSCRCO-BJKOFHAPSA-N 454.596 2.941 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CC(=O)N(CCOC)C1 1705576074 FEAMXNYIWZFALG-IBGZPJMESA-N 465.623 2.843 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705664634 WETUKKDMSVPEKO-XUZZJYLKSA-N 495.701 2.759 30 10 JFEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OC)CC1 1705826929 NRFXFKDKPUPSLY-UHFFFAOYSA-N 451.531 2.816 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705906757 NRVXRHJHMQSUMA-FQEVSTJZSA-N 482.629 2.846 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1706072815 HWHGFMPVQPEWBR-IRXDYDNUSA-N 494.600 2.949 30 10 JFEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1708609181 HQTBTKVBROEIKE-FNZWTVRRSA-N 492.628 2.945 30 10 JFEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCn2cc(Cl)cn2)c1 1712877125 BFSHMULECVEEKN-MRXNPFEDSA-N 492.893 2.872 30 10 JFEE N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1712885888 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453.934 2.625 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 1722570027 SOVHVERXPSPPPO-UHFFFAOYSA-N 451.980 2.702 30 10 JFEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722579545 HVXWZMNIFCJWCR-ZWKOTPCHSA-N 471.993 2.637 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722584622 GOHMOQYVTHDWAQ-DEOSSOPVSA-N 489.642 2.793 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722603574 YCZWMMTUBSIFBG-QGZVFWFLSA-N 460.604 2.984 30 10 JFEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1722622308 MCAHNNPHLIMXPP-UHFFFAOYSA-N 452.603 2.706 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722700982 BFLYXZRFGKIWAP-MRXNPFEDSA-N 460.604 2.678 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CSCCS2)C1 1722720314 KBDXMXDYFCDFAM-JKSUJKDBSA-N 465.670 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722728006 SJMQXXWOWQMOBJ-WMZOPIPTSA-N 467.636 2.886 30 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C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722596935 BVBOFGNQEICCLM-PZJWPPBQSA-N 486.642 2.609 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCCCC2)C1 1722709659 VGBJPNGYPJTTSS-VQTJNVASSA-N 453.591 2.829 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1722732226 ITLXNRDRJIINPK-CVEARBPZSA-N 451.618 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](C)C1 1722748849 BXNGBOVHOPTIKC-BETUJISGSA-N 475.434 2.984 30 10 JFEE Cc1c(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccc(C#N)cc2)cnn1C 1724147906 HPLWWTJXVLYZOO-UHFFFAOYSA-N 460.567 2.868 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740603868 IWBBDFCVEWUJDO-IBGZPJMESA-N 476.585 2.923 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1740616968 JVOBXRCBTPLIOZ-FXAWDEMLSA-N 460.600 2.758 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1740622460 YKRFKJBIRQKXLI-QGZVFWFLSA-N 484.651 2.964 30 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C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740893279 DMBICLJIGIQMNW-UTKZUKDTSA-N 475.615 2.789 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1740950782 HNHOTZIURPGXJG-QGZVFWFLSA-N 478.601 2.759 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[S@](=O)C(C)(C)C)C1 1740983751 PDPUQIIOCRJIII-MKTHODDLSA-N 465.645 2.598 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740993878 JNZVLYWDPCGGOX-NHCUHLMSSA-N 473.643 2.748 30 10 JFEE CC(=O)N1CCC(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1741021627 KGEZEZLTNKKXGO-HXUWFJFHSA-N 478.370 2.747 30 10 JFEE C[C@](O)(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1)C(F)(F)F 1741947314 AJHRGMFQKCOJCC-FQEVSTJZSA-N 485.532 2.781 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1743508838 GUFXVRJYVOMLKJ-CYFREDJKSA-N 469.586 2.912 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1748667006 LQKYGJSNWZVJOB-FQEVSTJZSA-N 477.613 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CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1291388732 BRRCOKAIMMYOKH-QYXIYQDXSA-N 452.603 2.772 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)ccc1F 1293298537 FKKUPYXVWYJFRE-UHFFFAOYSA-N 454.487 2.819 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(C)cn2)cc1OC 1294939926 HTXWKUGAADJGMM-IBGZPJMESA-N 451.531 2.676 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2(C(N)=O)CCCC2)c1 1300332441 FYTHIDNNCJGLEW-HXUWFJFHSA-N 464.570 2.622 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1300364232 JKEQWQSUHDZIJU-FPOVZHCZSA-N 475.590 2.548 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300485438 WKHUSYYVJRLQAN-IXFSTUDKSA-N 478.590 2.735 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)C(C)(C)C 1300559182 LEIPBCHVIIUTHV-XIFFEERXSA-N 488.683 2.557 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)OC)c1 1300559503 RAQZKNSDBCUYNW-XMMPIXPASA-N 451.527 2.620 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)C2CC2)CC1 1300718583 TVAKHPIVIJGTCY-HSZRJFAPSA-N 486.414 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)cc2F)CC1 1300723252 QPWFSUXDPXQSCR-UHFFFAOYSA-N 462.529 2.810 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1300837657 UKYXTSJNCANAEE-UHFFFAOYSA-N 456.348 2.979 30 10 JFEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300925401 UTIHEEQIOVXCBJ-KRWDZBQOSA-N 451.568 2.680 30 10 JFEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300936922 AEAVHMMFJONWQT-OAQYLSRUSA-N 459.616 2.714 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1301140027 YVZUGXOBRBOVAJ-UHFFFAOYSA-N 456.410 2.883 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1301359246 JCSKSXRAHSOUMF-UHFFFAOYSA-N 456.597 2.962 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1301420650 HKDIUNHQQKTLHB-SFHVURJKSA-N 455.584 2.957 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1301423873 CLWZWNGFDUESFI-RBUKOAKNSA-N 465.595 2.652 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCSC2)C1 1301483793 WSBLMPOXLYPTES-GOSISDBHSA-N 451.394 2.671 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1301509350 GJUHQLQVMIDZQJ-FQEVSTJZSA-N 464.545 2.947 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1301524979 FIWGNONZXFJWCR-WIYYLYMNSA-N 483.594 2.607 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CCC(F)(F)CC1 1303404914 DRGFBBCDELMURN-MRXNPFEDSA-N 487.559 2.619 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 1303557860 VKWCAULNHZDZRY-HNNXBMFYSA-N 457.618 2.613 30 10 JFEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 1310841996 ICVYVEPSRDAUJN-UHFFFAOYSA-N 452.895 2.898 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCn1cc(Br)cn1 1358880624 PMQBEOKUZSHXKK-INIZCTEOSA-N 495.389 2.818 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358952394 JQRBYZOEFMRIGZ-UHFFFAOYSA-N 464.570 2.798 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1358958065 GXSBSEODAKIKFU-RTBURBONSA-N 491.614 2.634 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358962511 QZHWQJSGHITVRE-DVECYGJZSA-N 483.594 2.634 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1359019480 WHZRSUHEOTXOTO-JOCHJYFZSA-N 472.387 2.805 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)N2CCCCC2)CC1 1359030659 AWOFXDNOISASEV-UHFFFAOYSA-N 496.656 2.991 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCC(F)(F)C(F)F)CC1 1359032587 UFCBZWXRNPVAOD-UHFFFAOYSA-N 460.863 2.666 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OC)c2OC)CC1 1359044320 CADOKRSCGDUBDP-NRFANRHFSA-N 467.570 2.551 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccsc2Br)CC1 1359047894 XPYBZIRRGPSZSW-UHFFFAOYSA-N 466.405 2.653 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359098967 IFBRLJJRIBVEHM-JTAQYXEDSA-N 460.667 2.885 30 10 JFEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1359125546 JBXTYEPGQCVUKO-UGKGYDQZSA-N 457.550 2.609 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359132822 GHUYLXZHIPIIBC-JOCHJYFZSA-N 488.654 2.655 30 10 JFEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNC(=O)c2cccc(O)c2)CC1 1359169473 JHLBGYCXJVAGKH-FPOVZHCZSA-N 455.559 2.684 30 10 JFEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359203563 QZEBIVMYCMQCBV-GOTSBHOMSA-N 460.667 2.760 30 10 JFEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359218573 NLZOIUGAJBTFFX-QHCPKHFHSA-N 466.630 2.781 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359283057 MBFWQXSTTQAKTH-FQEVSTJZSA-N 451.575 2.915 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1359292416 ORMHGZUUGQBBSM-DLBZAZTESA-N 474.993 2.657 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1359324976 VTVWFFHUOGYRRQ-LEWJYISDSA-N 489.642 2.537 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1359339837 SBOXEMJMWALXMF-UHFFFAOYSA-N 466.629 2.895 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1359340961 HFQZHZFQLKJWPQ-HNNXBMFYSA-N 454.556 2.903 30 10 JFEE CC(C)NC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1360285501 HHTLMYHXMXPBFH-GOSISDBHSA-N 492.559 2.675 30 10 JFEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(Cl)cc1 1436648242 IRMTWPJXXZZHER-PKOBYXMFSA-N 458.923 2.768 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)c1 1463502648 TWFINYABFPIHKS-XMMPIXPASA-N 456.564 2.932 30 10 JFEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1478806004 FWFBXSWEPJQREU-IBGZPJMESA-N 458.540 2.798 30 10 JFEE CCC(O)(CC)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1497436546 HDKICLAPCNSMJF-UHFFFAOYSA-N 450.522 2.624 30 10 JFEE COCCn1cc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@H](C#N)C2)cn1 1504898135 GLQAABDYJUVZFJ-TZIWHRDSSA-N 465.558 2.655 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)Nc1ccc(F)cc1 1507515966 ADCJXQPTRJZACJ-OAHLLOKOSA-N 483.573 2.782 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)c1 1507549262 YYWPIVZPOLREBZ-OAQYLSRUSA-N 487.612 2.958 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507626648 GLDWFOIKNDXRRT-SJORKVTESA-N 466.966 2.933 30 10 JFEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1507638811 GZBXKQMTARKNPJ-QILLFSRXSA-N 497.390 2.777 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cccs1 1507703883 HSSARGDUAVPWMW-UHFFFAOYSA-N 477.388 2.613 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1507722079 YMVUJAQPDCEXIV-UHFFFAOYSA-N 498.628 2.975 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2([S@@](C)=O)CCC2)CC1 1507735978 CGDDIOCLHAXPNK-JGCGQSQUSA-N 453.612 2.521 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507936517 FLZREJRMVPYWBL-KRWDZBQOSA-N 464.526 2.962 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1508018144 OFDPTTGDQXAWTO-UHFFFAOYSA-N 456.554 2.880 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1508091490 UYRLHCMQWRXBTJ-FQEVSTJZSA-N 454.575 2.550 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1508094668 IKKFQAWSOURIJA-UHFFFAOYSA-N 485.654 2.693 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1539032152 TZMJOADODPHEAL-APWZRJJASA-N 451.493 2.810 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCN1CCOCC1 1539097762 VBUXDCCYJNYGSI-UHFFFAOYSA-N 462.392 2.898 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1539126104 RYEHSOLCAKTERF-LPHOPBHVSA-N 466.966 2.964 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC2(CCCCC2)O1)[C@H]1CCS(=O)(=O)C1 1539205365 HEYJCJTYQQDTMK-PCCBWWKXSA-N 494.658 2.511 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CC(OCC)C1 1539246624 UQODRXSIRLKZRA-UHFFFAOYSA-N 473.371 2.719 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCN(C2CC2)C1 1539291671 VVGSFTICLRDYAK-HXUWFJFHSA-N 465.001 2.809 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1539298965 BSIQRZBUVXSTES-LXFBAYGMSA-N 491.636 2.662 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCC[C@@H](C)C1 1539306143 DEYIVXLMDGAAIU-JOCHJYFZSA-N 471.613 2.896 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCC(C)C)CC1 1539452684 YLIFKQKEBVGNDE-DHLKQENFSA-N 453.587 2.733 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN(C)C2CCCC2)CC1 1539481559 BBMAXTNPKFWQHS-UHFFFAOYSA-N 484.595 2.987 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2nccs2)C1 1539525890 DXXSMJUMZRIBMP-HNNXBMFYSA-N 474.637 2.670 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1539669332 OOYCJHODAHUZTP-LJQANCHMSA-N 468.023 2.910 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Br)cc2C1 1539683123 AVVQYRGLJPBIIO-ZDUSSCGKSA-N 454.394 2.790 30 10 JFEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1539779803 GXICDWVDESBMAT-AWEZNQCLSA-N 458.719 2.550 30 10 JFEE C=C(Cl)Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539820956 TUNRUHFPSOQJBO-IYBDPMFKSA-N 452.987 2.860 30 10 JFEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(=O)N1CCOCC1 1540021619 XAPBIYNXJDPMBB-UHFFFAOYSA-N 496.381 2.734 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1540171173 WHZXXZGJQJRMRY-DFBJGRDBSA-N 486.617 2.776 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1540858339 RTCLTNGPDQTTRQ-MOPGFXCFSA-N 474.606 2.515 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@]2(CCOC2)C1 1540866103 CGKYXFAHBSQXOQ-HXUWFJFHSA-N 464.339 2.766 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1540894539 ZVGWKOOQXPXROS-LJQANCHMSA-N 473.624 2.668 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)C1CCCC1 1540898836 WLMXZQFZRYFMHS-UHFFFAOYSA-N 494.687 2.916 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540913199 PIGZNMZZOOGZNI-UHFFFAOYSA-N 454.648 2.875 30 10 JFEE C=CCSCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540922611 SYYXRQGPOQEVDN-QHCPKHFHSA-N 463.648 2.829 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CC2(S(C)(=O)=O)CCCC2)n1 1543041628 GJAYCADRJDKTJA-UHFFFAOYSA-N 459.620 2.627 30 10 JFEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCCO[C@H](C)C1 1546528888 GURKCPYMLFLDTL-LJQANCHMSA-N 455.582 2.679 30 10 JFEE CO[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1554666049 AMXIPTAJQLSIIQ-NRFANRHFSA-N 465.602 2.660 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1587706274 OIMXTNVSKCCPCF-FQEVSTJZSA-N 458.632 2.635 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCCC1 1588194105 OXFRJGZCPGDGRY-QFIPXVFZSA-N 496.681 2.780 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1588254032 NIHDTLUQKGIXQX-UHFFFAOYSA-N 453.974 2.838 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1588993771 MRNWIDNURHYJQC-OAQYLSRUSA-N 468.583 2.640 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1589150460 GEPRXNLKRGRAPM-ZUOKHONESA-N 471.505 2.669 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 1589544536 IFYYSKVOTAEPNJ-GIVPXCGWSA-N 499.616 2.994 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C#N)CC1 1594760450 IHUONIJHMBQFTR-UHFFFAOYSA-N 462.583 2.829 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1595161534 CXNPHBYPPKXHEV-QGZVFWFLSA-N 451.618 2.665 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccc(O)cc2)CC1 1595760186 LEVBFWNCGWYYDD-UHFFFAOYSA-N 496.593 2.616 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C1 1614924282 DGSBNAKCJUXUPD-LJQANCHMSA-N 463.542 2.816 30 10 JFEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)C1 1618859536 DAQAYTGDYWEVJR-SBHAEUEKSA-N 453.543 2.933 30 10 JFEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1625963799 HJHPZTXIWYVHBX-MGPUTAFESA-N 452.536 2.885 30 10 JFEE C=CCN1CCC(NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 1628375830 PLDXHSMDQZNOGB-UHFFFAOYSA-N 457.552 2.639 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)cc1 1633967177 ZZMWYDFNWPBHCS-XMMPIXPASA-N 456.564 2.932 30 10 JFEE C#CC[C@@]1(C(=O)NCC(=O)c2ccc(Br)cn2)CCCN1C(=O)OC(C)(C)C 1651849610 GLZYACGGYOIPJE-FQEVSTJZSA-N 450.333 2.936 30 10 JFEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3cc4c(cc3OC(F)F)OCO4)C2=O)cc1 1680549004 GYSMPVQSWGIFQY-INIZCTEOSA-N 458.421 2.883 30 10 JFEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)s1 1680946078 GXMSRERYPMGDQL-ZIAGYGMSSA-N 459.551 2.606 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)n1 1687270529 GXYAJPRLINJQKM-NRDMVMEKSA-N 459.591 2.851 30 10 JFEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689882505 CBEQUYPEMFVNJH-LJQANCHMSA-N 452.584 2.815 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2nc(C)ns2)CC1 1689901133 CDLZVDUVASLFFZ-UHFFFAOYSA-N 453.620 2.820 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689996373 HUKURIDUAUNGAR-HYBUGGRVSA-N 472.611 2.607 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1689996960 SBYZQJXCRFOIIB-HXUWFJFHSA-N 497.646 2.957 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1690137232 QYEVNOPAWMGOOU-HXUWFJFHSA-N 491.640 2.596 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1690139800 AIIMGQBKNTZATP-WIYYLYMNSA-N 481.597 2.601 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690234953 SGWHDELZTMUXHR-ULQDDVLXSA-N 470.412 2.604 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(OCC(N)=O)CC1 1690280013 SKDUXWKRTWEVND-UHFFFAOYSA-N 452.328 2.894 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1690334363 MOSSPHPLFCKLNU-UHFFFAOYSA-N 474.812 2.850 30 10 JFEE C=C(Cl)Cn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1[C@]1(OCC)CCOC1 1690358847 MFMBIUNTABUHDH-IBGZPJMESA-N 451.915 2.629 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)CC1 1690375870 VZNZFPJXZURKIQ-HXUWFJFHSA-N 463.579 2.539 30 10 JFEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690488962 VXWGOTNJGPXWHC-FQEVSTJZSA-N 451.619 2.799 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1690577273 FIUUNCLNEWIRHF-RTBURBONSA-N 495.671 2.680 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1690578087 QOIHRDCGUQWGPK-MRXNPFEDSA-N 475.644 2.829 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](CC(N)=O)C1 1690663514 ZESYXJWUZVUEBI-JKSUJKDBSA-N 456.616 2.525 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1690724608 SGNDBTBQURPRGV-FPOVZHCZSA-N 459.616 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1690725722 ZUIZSVZVFZOBGT-SIKLNZKXSA-N 467.595 2.831 30 10 JFEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690747214 WFWJJVNGMWKAHK-UHFFFAOYSA-N 470.064 2.960 30 10 JFEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1695203082 DZZCXJFQQKQHMM-UHFFFAOYSA-N 479.629 2.909 30 10 JFEE COc1ccc(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1697394247 HXGXFPWFGDCUEQ-WIYYLYMNSA-N 462.554 2.889 30 10 JFEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1697736542 AKNAALQTYQQAPV-WMLDXEAASA-N 450.465 2.604 30 10 JFEE COCC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1697810054 ICEFBMCUNXVSAH-OAQYLSRUSA-N 455.559 2.646 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)c1 1705504491 XWBOEMDAPZFZMI-QGZVFWFLSA-N 474.631 2.627 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccn(C)n2)c1 1705505255 JZBCSIIJJXGFPZ-UHFFFAOYSA-N 493.369 2.874 30 10 JFEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(=O)NCC)CC1 1705527347 VKBAEWNBPIJLCW-SFHVURJKSA-N 454.644 2.803 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705562791 KKQAFYISUQEKHC-GOSISDBHSA-N 478.018 2.827 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1705564094 LDFZMOCQYYORGT-QFIPXVFZSA-N 484.670 2.725 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564661 DMVVEHFYAHWPEV-IEBWSBKVSA-N 479.647 2.723 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1705567214 UPXWKQYVFAQSFK-QGZVFWFLSA-N 463.401 2.983 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncccc1N(C)C 1705575467 LGEMXAFCBQGUIN-UHFFFAOYSA-N 460.538 2.553 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@@H]1OC 1705621180 UZJMFUPHYKOICM-SQOUVECCSA-N 472.561 2.833 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 1705633422 QUSJEPFITSNCSY-CVCYQNGTSA-N 459.591 2.614 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](OCC)c2ccccc2)CC1 1705635354 WPFMBGXNJICBJT-ZEQKJWHPSA-N 467.614 2.852 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705636139 ZNBHBHSVCIUMBX-AZUAARDMSA-N 474.403 2.514 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCN(CC)CC2)CC1 1705645945 KZTYOXPAALAXQQ-UHFFFAOYSA-N 491.684 2.637 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705684283 LBTPKHPYUWZPCA-LJQANCHMSA-N 463.336 2.570 30 10 JFEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705727500 IYIQOAVKYGROJT-KRWDZBQOSA-N 451.568 2.680 30 10 JFEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1705727946 KVCUASQFBMKISD-UHFFFAOYSA-N 456.978 2.983 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705732155 PNLNATRNUCSCRT-JOCHJYFZSA-N 469.590 2.662 30 10 JFEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1)c1ccccc1 1705741140 HCYAKETUNZXJNQ-UHFFFAOYSA-N 452.603 2.775 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1705754795 GDGZVTAEGNMXJQ-CYBMUJFWSA-N 456.952 2.726 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1705805188 BALABCZSQSFVQI-QFIPXVFZSA-N 457.644 2.901 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)=C(Br)C1 1705905789 HEMNYTJXIJJQJR-UHFFFAOYSA-N 451.394 2.815 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 1705935265 LSCADCKGUUNXIY-UHFFFAOYSA-N 490.630 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705937058 HCJUJVWIIOEOIG-IRLDBZIGSA-N 474.627 2.678 30 10 JFEE C[C@@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1706818937 BDTSIEYHARQKQN-OALUTQOASA-N 458.632 2.808 30 10 JFEE CCCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1709841819 CUEPCKBRVXLVDB-IBGZPJMESA-N 465.327 2.684 30 10 JFEE CCN(CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710062359 HFQVDUFFPYIWQF-UHFFFAOYSA-N 476.633 2.621 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCOC[C@H]1C 1722281080 ZCDZABHTSHAZNH-HZPDHXFCSA-N 462.392 2.895 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722370078 LFBSRPOUQUQYAJ-QFIPXVFZSA-N 485.654 2.532 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)CN1CCCC1 1722426417 HVWMAIIPYZNCLK-JOCHJYFZSA-N 453.587 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOCC(F)F)CC1 1722442773 BWEGAVXMXZURSP-UHFFFAOYSA-N 451.905 2.846 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1722458080 WCRGAPZYDFOTEY-KRWDZBQOSA-N 452.584 2.657 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722488215 CMSNLKLNOIXCQY-UHFFFAOYSA-N 458.364 2.791 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722494438 PYGZBADDPYRZHN-QYZOEREBSA-N 476.622 2.891 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722581180 BDWYKPDFPUMQAS-KRWDZBQOSA-N 494.637 2.965 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C(C)C)N1CCCC1 1722632418 SLAMTPMULXRPQL-NRFANRHFSA-N 460.648 2.938 30 10 JFEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1722634180 MPRWIDAYHAYHIW-XMMPIXPASA-N 457.575 2.942 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C 1722657019 OCLRSVPHDOTLQD-NRFANRHFSA-N 470.643 2.832 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722672590 UVDYLJXXVVSOGF-DLBZAZTESA-N 453.609 2.519 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1722680592 RMQANFLSEMJEEV-OALUTQOASA-N 497.662 2.956 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCOc1ccccc1 1722688606 HDLKIQUOGYIRIL-UHFFFAOYSA-N 473.375 2.864 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722696453 ODOCLZYFNCKVJW-UHFFFAOYSA-N 451.531 2.505 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722699207 SETOZNASJXFBDK-SLFFLAALSA-N 455.559 2.733 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2nccnc2C)C1 1722708931 GSWWPPPCJVSPAI-FQEVSTJZSA-N 481.988 2.984 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)C(C)(C)C)C1 1722718611 LZXKAHADCJVLNT-XLIONFOSSA-N 476.599 2.785 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CSCCS1 1740538206 FHAGGWYYZJBMMV-RDJZCZTQSA-N 465.670 2.502 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1740542873 DCFOLUAEKCMLON-PMACEKPBSA-N 454.619 2.836 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2ccncc2)c1 1740565345 SIQJZWXPBZMALH-UHFFFAOYSA-N 468.565 2.834 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740575703 UWQXCJJXZCYOBD-FQEVSTJZSA-N 454.575 2.797 30 10 JFEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1740627199 FHGIFLUDITXITM-GOSISDBHSA-N 491.042 2.816 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1740628095 NGGJNJWJMUOQIR-FQEVSTJZSA-N 453.568 2.712 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[S@](=O)C(C)(C)C)CC1 1740700043 DDLLUSQPDZWAIC-YTTGMZPUSA-N 475.684 2.881 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1C(C)(C)C 1740765650 BGVPUJPLCRVGMP-WIYYLYMNSA-N 471.606 2.614 30 10 JFEE C=C(Cl)Cn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1740815560 CXRYWPOOKYHMSN-IIBYNOLFSA-N 484.022 2.916 30 10 JFEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1740854124 LIWAKDBUZSTYMP-OAQYLSRUSA-N 452.584 2.782 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1740937959 UJZBPRHXRFMTFB-UHFFFAOYSA-N 475.553 2.545 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1740942519 TURBCVLGPJUEJJ-ZWKOTPCHSA-N 476.622 2.904 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ncc(CC)s2)C1 1740971141 UGEXNXNQBWPINR-INIZCTEOSA-N 453.572 2.968 30 10 JFEE C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1743029938 FXALBPPSKVTIIH-FYINFDKHSA-N 476.375 2.899 30 10 JFEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)OC 1743962086 DWFDFQDEEUSSTA-UHFFFAOYSA-N 474.631 2.882 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1748663884 AXKKTRKSEQZHTJ-QGZVFWFLSA-N 482.610 2.519 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCC(=O)N1CCOCC1 1748945333 QQYVDRQDKGOHTQ-UHFFFAOYSA-N 462.529 2.676 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(O)cc1 1748970681 NSDSTKFQWCVTLZ-KDURUIRLSA-N 455.559 2.889 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2snnc2C)CC1 1749003981 BKBGCXBRMIDTBQ-FQEVSTJZSA-N 463.611 2.994 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(COC)CCOCC2)CC1 1749015832 OYIUYJSQTNZLDJ-UHFFFAOYSA-N 495.624 2.575 30 10 JFEE C#CCSCCn1c(N2CC[C@@H](CN3CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749049110 XPMSVUPMOODJON-XUZZJYLKSA-N 461.676 2.997 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749103327 UDKHUOYGZDKSAG-CHWSQXEVSA-N 466.302 2.586 30 10 JFEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1749104271 OKXGGTUKQOPKKL-LSDHHAIUSA-N 472.384 2.720 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1749230297 WOFSDLSEGNPDAU-YADHBBJMSA-N 489.642 2.854 30 10 JFEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1749277465 CGZMMQNDGMXMTM-UHFFFAOYSA-N 493.996 2.542 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1749363935 LEBKLCKSVTYQHI-KRWDZBQOSA-N 463.586 2.944 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1749547364 PGPPLHQTCNRTLJ-GOSISDBHSA-N 471.558 2.964 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1749676559 UYUIALHFRLSYIK-PKOBYXMFSA-N 484.601 2.529 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)C1 1749712881 MWBASOYRIBJKGN-AZUAARDMSA-N 452.621 2.701 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1750065748 BRKMEZAGEPWKOM-SLFFLAALSA-N 462.606 2.885 30 10 JFEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CCOCC1 1750258099 FAZBZXFKSOCAGO-IRXDYDNUSA-N 477.656 2.987 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@H](C(F)(F)F)O1 1752317830 BYIRZLRIJMRICB-RHSMWYFYSA-N 483.516 2.940 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Br)ccc2C1 1760145775 VFUVNSFBKFFCGC-CQSZACIVSA-N 466.405 2.627 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760172664 WDQLPBSOBLCWHS-PMACEKPBSA-N 498.603 2.945 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1760191434 HFCWHZUUURFJIT-IBGZPJMESA-N 477.428 2.989 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCc2ccccc21 1760208803 KBLMDUNHEGGMKC-HXUWFJFHSA-N 453.550 2.840 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)OC(C)(C)C 1760212240 RQIVABUFLFZRGB-XMMPIXPASA-N 459.591 2.696 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(S(C)(=O)=O)CC1 1760215098 OPUZPCHHIBQZKY-UHFFFAOYSA-N 479.375 2.887 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@@H](C)C1 1760218866 ORCDXXWRZSJVOF-JOCHJYFZSA-N 460.630 2.647 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1760223136 LXRYIPCECCCOEK-AREMUKBSSA-N 495.649 2.537 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(F)c(F)c1 1760244262 OWYCBJCERSQNFX-UHFFFAOYSA-N 488.564 2.959 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1760294779 GMVXWYMNVUMTER-NBGIEHNGSA-N 483.617 2.977 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2C)CC1 1760402188 JCGPJEQKBFUSLA-QFIPXVFZSA-N 473.643 2.873 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760450565 NTQKPNDZBFCYPB-OALUTQOASA-N 497.662 2.609 30 10 JFEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760452763 IZORERASYBIALV-OALUTQOASA-N 478.663 2.598 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1760495182 HKWZQABSNWAESE-VXKWHMMOSA-N 484.670 2.569 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1760503468 JITAULRTTPAAFN-SQNIBIBYSA-N 462.595 2.514 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760548592 LIOIAFFFSYWEOR-UHFFFAOYSA-N 451.637 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCSC[C@@H]1C 1760552987 IOSSOQPEFOALHI-HNNXBMFYSA-N 452.602 2.505 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760560115 YFPVRHAJZLQRST-UHFFFAOYSA-N 469.615 2.826 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Br)cn2)CC1 1760597734 GOXNVYQMRAXHEU-UHFFFAOYSA-N 483.374 2.535 30 10 JFEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1)OC 1762416778 FCFJGVRWXCNYFV-OAQYLSRUSA-N 481.601 2.880 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1767173866 FDEVBTFYZVGISX-UHFFFAOYSA-N 474.613 2.640 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1767301603 GOZCCUFYNLDWIL-AVRDEDQJSA-N 460.558 2.743 30 10 JFEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1767552510 DMOXVJBCYQJBGD-IRXDYDNUSA-N 461.611 2.761 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1768231272 DPNAEKZDCPCLKG-UHFFFAOYSA-N 474.974 2.815 30 10 JFEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)ccc1OC(C)C 1769798226 GZHOGKBVKOMJOU-IAGOWNOFSA-N 461.588 2.914 30 10 JFEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1770332341 FSNXYFLQWMRQGX-INIZCTEOSA-N 471.505 2.942 30 10 JFEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1ccccc1 1861514496 YJFMGVZDDUYWFW-QFIPXVFZSA-N 454.486 2.651 30 10 JFEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(=O)O)cc2)ccc1F 1862503631 BQNJIMHDTPPWCK-OAQYLSRUSA-N 468.481 2.743 30 10 JFEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)CCCN2C 1862632436 ORZZDKHJNRTQQX-HSZRJFAPSA-N 477.517 2.512 30 10 JFEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1863277097 PERYRLIRDDYSJK-UHFFFAOYSA-N 472.526 2.906 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864889530 DDZLHPJGLSAPDD-NRFANRHFSA-N 489.488 2.857 30 10 JFEE CC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(C#N)cc1 1867249520 ASQSLAAUVQOSAU-ROUUACIJSA-N 482.342 2.889 30 10 JFEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1c(F)cccc1Cl)N1C(=O)c2ccccc2C1=O 1870107132 UNEGYVUPRBYNHC-NSHDSACASA-N 452.833 2.614 30 10 JFEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1870143036 SLQSTZUPZRGIBZ-GFCCVEGCSA-N 479.294 2.833 30 10 JFEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCN(CCO)CC1 1870517844 YKWVNGHNCDNPCA-UHFFFAOYSA-N 478.678 2.614 30 10 JFEE COc1cccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)c1OC 1874261509 JKIPXLBOUDULMP-PGGKNCGUSA-N 463.466 2.612 30 10 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O=C(Nc1ccc(OC(F)F)cc1OC(F)F)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 589010946 HVKLIUOTDLIDJS-UHFFFAOYSA-N 489.344 2.888 30 10 JFEE C#CCC[C@@H](O)CNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757474312 IMCPFSTVHCBERZ-HXOBKFHXSA-N 464.518 2.649 30 10 JFEE CN1CCC(CC(=O)NCC#CC(=O)O)(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757488604 ZZLSDBDQATYORZ-UHFFFAOYSA-N 475.545 2.584 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)nnc1-c1ccco1 856703640 BWGWBJZIZFAKMN-QFIPXVFZSA-N 472.571 2.748 30 10 JFEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])cc1O 1083984080 BFCAQXVPAQXJHA-UHFFFAOYSA-N 491.917 2.935 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084105948 YFGAJMNWKPGBKP-UHFFFAOYSA-N 455.887 2.519 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC(C)CC2)c1 1286310647 XCDLWUAPKWTGPK-HSZRJFAPSA-N 491.640 2.798 30 10 JFEE C#CCCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286334187 FWOSNRAVOAKXLD-BVAGGSTKSA-N 472.678 2.727 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286347109 HPPLHFYQBFOOMK-ZBFHGGJFSA-N 470.521 2.808 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286394084 NELJIBCVLQAJAJ-HXUWFJFHSA-N 491.658 2.962 30 10 JFEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1286395153 QYSSWDSCBOWTOY-NRFANRHFSA-N 497.669 2.681 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1286396473 UYMJLPHASOUBQR-NZQKXSOJSA-N 483.682 2.940 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(CC)CC 1286430656 IPSYZMVPCISGIJ-DHIUTWEWSA-N 467.639 2.726 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286540002 HTXZAAIWFYBKIK-INIZCTEOSA-N 491.409 2.706 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1286568859 YTUZNAGSSYZDBY-NFBKMPQASA-N 489.642 2.537 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286592041 FCTBGQILHQLUHU-SFHVURJKSA-N 463.586 2.901 30 10 JFEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286597481 OLWUHYREMFJKDF-NQIIRXRSSA-N 456.566 2.561 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1286683273 NQJMESHSGZJXNR-QGZVFWFLSA-N 476.651 2.556 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1286699590 FECGNPTUKQXPOP-HXUWFJFHSA-N 459.616 2.619 30 10 JFEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286771213 BWXLQLYIPFLHJA-UHFFFAOYSA-N 489.418 2.647 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)C1 1286809990 MTVRELHJCGOFCS-CIAFKFPVSA-N 479.691 2.720 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1Br 1286818160 CHFJMWVNCCIAPY-UHFFFAOYSA-N 477.388 2.735 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)CC1 1286827199 GUUJNWOHFHUBED-UHFFFAOYSA-N 466.405 2.962 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1300302737 DKSPXTDGKPYVFW-OAQYLSRUSA-N 490.656 2.551 30 10 JFEE COc1ccc2c(c1)CCC[C@H]2Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1300318243 CTOSVEYBMBILQG-LPHOPBHVSA-N 472.615 2.757 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(N(C)C)CCCC2)c1 1300332382 CVLNXHCFIIFOBJ-UHFFFAOYSA-N 460.586 2.609 30 10 JFEE Cc1ccc(CCC(=O)NCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1300414031 DAECGDJLQIQEDR-UHFFFAOYSA-N 456.550 2.654 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1300488845 HCTQMNCTQUVQLS-INIZCTEOSA-N 468.982 2.915 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300488951 XSISGXRNDRTYAJ-MRXNPFEDSA-N 459.934 2.808 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CN(C2CC2)C1=O 1300521537 YLQBGVNTPNJBQQ-QFIPXVFZSA-N 470.346 2.930 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1300537895 LKQIYYLRPRVNBE-JYEBCORGSA-N 483.613 2.601 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)c(Br)c1 1300553318 CZQBNEPFNBEUJK-PXNSSMCTSA-N 473.371 2.894 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccc(F)cc1)N(C)C 1300579908 ZUPUMEFMHLYZIZ-OAQYLSRUSA-N 462.529 2.911 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(C)nn2C)n1 1300680468 CLOPUYOYAXROQO-DHIUTWEWSA-N 494.644 2.770 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCN2C2CCCCC2)CC1 1300730987 JLXBMNSZAJUXNU-JOCHJYFZSA-N 456.635 2.578 30 10 JFEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300829781 AMFGITKOTABAKL-CYBMUJFWSA-N 466.384 2.757 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1300886513 YHULUYLEGOTWIW-FYQPLNBISA-N 488.633 2.685 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1300915260 LEAZSOWUIIDAJZ-NRFANRHFSA-N 472.615 2.851 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1300950346 ASGFDVODMDCKJT-LJQANCHMSA-N 451.637 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301568378 FWHCVUFBIVUMKA-KSFYIVLOSA-N 496.033 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCc2sccc2C1 1301596593 TVATVMRIGNKGBV-HKUYNNGSSA-N 466.629 2.617 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 1301611591 NZQGVCZGECTUBK-QZTJIDSGSA-N 483.685 2.933 30 10 JFEE CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1cccnc1 1302527219 AVVFMNFVGUMYJM-MOPGFXCFSA-N 465.583 2.833 30 10 JFEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1303262195 ALVALHAZOKHRMP-JOCHJYFZSA-N 485.658 2.551 30 10 JFEE CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312468424 GBETYBQQGMYADQ-VQIMIIECSA-N 451.518 2.797 30 10 JFEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1nccs1 1315746540 HMKTXPXZXHSNMO-ICSRJNTNSA-N 468.583 2.916 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358961907 GYEGIHYVRRNEJW-FKBYEOEOSA-N 477.675 2.801 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1358962924 ZDQKTCNOPJSEAP-RBUKOAKNSA-N 475.615 2.739 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358964459 ZGPJGOIVCADBRO-QHCPKHFHSA-N 471.671 2.992 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(F)c2F)CC1 1359044827 PMMVCNWZGCWWFP-LJQANCHMSA-N 457.525 2.659 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359049563 RWJMKDHUHFRKIU-NVXWUHKLSA-N 460.991 2.652 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1ccco1 1359063326 OZKCKARRSKHEQR-XMMPIXPASA-N 480.956 2.877 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1359064829 AZGWMGBBJVFHLX-NQHRYMMQSA-N 459.635 2.668 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCCCOC)CC1 1359076943 PUMUOIDNEMUBLW-UHFFFAOYSA-N 479.379 2.856 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359098813 GLTBURLDSHPOLF-NRSPTQNISA-N 481.663 2.751 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1359132653 BKBLLHRDYAVZCM-YPAWHYETSA-N 479.691 2.864 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1359300580 GDRKNCGAWAZXAN-QZTJIDSGSA-N 462.595 2.515 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC(F)C1 1359300693 INDSYXQBBYAXGM-UHFFFAOYSA-N 464.586 2.879 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1359314607 DXXGCDIVADGFTH-YBOAYWMSSA-N 450.486 2.868 30 10 JFEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1360128314 GBQVJQBVXYPPBY-UHFFFAOYSA-N 460.586 2.592 30 10 JFEE C[C@](O)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1360730906 AOXQDOPFSGDPNR-FCHUYYIVSA-N 454.531 2.619 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2COCCO2)C1 1360784268 BHLPOKOWTXPDPN-AXHZCLLHSA-N 474.606 2.938 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CC2)c1 1361129817 DXVXFCAQMLBFSB-HYHKQLJDSA-N 457.600 2.929 30 10 JFEE C=CCn1c(SCC(=O)NCC[C@H]2CCCS2(=O)=O)nnc1-c1ccc(Cl)cc1 1462494749 JTBMZWLSQGJCLS-MRXNPFEDSA-N 455.005 2.960 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 1502867395 CXPOMJBPBJRHMW-QDSKXPNFSA-N 498.628 2.902 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CN(C2CC2)C1=O 1507643075 GPFQMAFWDPVZSB-JOCHJYFZSA-N 470.346 2.930 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ncccc1Cl 1507661222 PPOARPMJTKKEEE-HSZRJFAPSA-N 457.962 2.909 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1507701491 IWDOWSCQYSJGAM-FDDCHVKYSA-N 488.610 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1507737481 ADMSUAYFDGVPCP-UHFFFAOYSA-N 473.581 2.687 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H]2CCOC2)CC1 1507740288 KSFZJJRNSHKZLD-OAQYLSRUSA-N 465.598 2.866 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507743392 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496.637 2.542 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCCC1=O 1588251148 MJVPJWDVAUDLQT-UHFFFAOYSA-N 458.566 2.984 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(=O)(=O)CC 1589544135 FDXBXNNDJIPJCM-UIFIKXQLSA-N 476.599 2.643 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1589700929 FVEUPTRUYMQREG-UHFFFAOYSA-N 451.506 2.976 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 1593636867 UDZCHZNFDUWVGR-HZPDHXFCSA-N 452.581 2.509 30 10 JFEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1594626299 MDAVOLIGQZHNJB-GOSISDBHSA-N 480.660 2.804 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(=O)OC(C)(C)C 1594943141 LCEQPQNKYGGXLI-UHFFFAOYSA-N 453.547 2.681 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1595020585 KEZNGNJOJDLCIZ-SOLBZPMBSA-N 482.651 2.689 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1595219504 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N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)c2)cc1 1666950602 HKQZNMPQZRLTPX-UHFFFAOYSA-N 452.496 2.612 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCCC1 1689850797 HPSCYWIFZPBVBH-DENIHFKCSA-N 455.628 2.672 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCCC2=O)c1 1689860795 HNYQJHZQBVNDAC-QGZVFWFLSA-N 462.579 2.903 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1689928695 UYNZAQSGKQGORE-NHCUHLMSSA-N 474.650 2.963 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689984993 ZSVULSBMMCEQQM-HXUWFJFHSA-N 451.577 2.748 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1690048977 VFROVDHBBNTJQP-LJQANCHMSA-N 487.992 2.600 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 1690090980 FQIAWSJJNYRZKC-FPOVZHCZSA-N 473.618 2.691 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1690237456 ZDTNJSKUDCUDPT-WOZUAGRISA-N 474.650 2.919 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690253501 RHDOMIQNMCMOJF-GJZUVCINSA-N 496.656 2.611 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690253502 RHDOMIQNMCMOJF-NVQXNPDNSA-N 496.656 2.611 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CCc3ccccc3)C2)CC1 1690364731 WKRZMDDROWEKGT-IRLDBZIGSA-N 472.659 2.609 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1690572322 ZCEWFMVMKQCGJD-UHFFFAOYSA-N 499.616 2.828 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690672908 HJNAFOKPJJXAMS-OYRHEFFESA-N 480.613 2.783 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1690673058 MYOQWMLPCIHXPZ-FQEVSTJZSA-N 497.397 2.907 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690673549 XQFOWDIQLSIOKP-KRWDZBQOSA-N 455.950 2.900 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1690675711 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C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1722581174 HYGMJSYIDMCFAI-DYESRHJHSA-N 493.605 2.620 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1722616700 BOHNPBOMVWKJAB-INIZCTEOSA-N 496.008 2.901 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722695609 JPTZYOMSAMLZAA-NRFANRHFSA-N 450.587 2.552 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C(=O)NC)CC2)cc1 1722702477 LGBOSFZHFIPYHD-UHFFFAOYSA-N 475.553 2.501 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1722730834 DVDFAAIYMNYLFE-UHFFFAOYSA-N 459.959 2.841 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC[C@H]1CCCO1 1740538453 MKWIZSPXZVFZEC-PKOBYXMFSA-N 474.631 2.590 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1740620255 CUGHZDZCUWXTDI-IOJLRTSASA-N 471.627 2.951 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740622242 BCQTWBRSVZUZJK-FCHUYYIVSA-N 455.628 2.865 30 10 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450.992 2.920 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS[C@@H](CC)C1 1760551136 UVXTXYYDIMXUAP-KRWDZBQOSA-N 451.574 2.786 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N2CCOCC2)C1 1761542457 IBHQEMRBFUZKMG-LJQANCHMSA-N 479.404 2.758 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCS1 1763089134 GAVFMLGPBWIHCP-RXVVDRJESA-N 467.643 2.701 30 10 JFEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CCOC1(C)C 1763258122 AAAKXDXWLSYANR-LJQANCHMSA-N 451.619 2.846 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1766509881 AJGOZKXMKCXPKW-GOSISDBHSA-N 457.581 2.852 30 10 JFEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1770896851 CWXJQLWBIGZJIE-FPGHNAPASA-N 455.559 2.522 30 10 JFEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Br)cc2)cc1 1859012670 AMYOHLDEBIBOCX-UHFFFAOYSA-N 481.368 2.951 30 10 JFEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1F 1862512085 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478.416 2.735 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1359082328 FUOIUYBETOQEGD-HOTGVXAUSA-N 468.302 2.994 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1359126795 ZESRKBVPBUXSGN-UHFFFAOYSA-N 495.559 2.992 30 10 JFEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1359172234 PCBJZSAHCQIQOF-UHFFFAOYSA-N 454.550 2.794 30 10 JFEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359181539 VVJWUKGPQFYBEM-LJQANCHMSA-N 467.540 2.805 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359197751 ZANPEUABUFEGGB-UHFFFAOYSA-N 467.618 2.714 30 10 JFEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359213166 LWZNPKOCTKOKQU-FQEVSTJZSA-N 455.588 2.615 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1359228163 VMAHELAQYZHRBS-LJQANCHMSA-N 497.662 2.514 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(C)ccc12 1359281480 BEGFUXJNGVWFHN-LJQANCHMSA-N 457.600 2.851 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359283446 QZAATOCOFMXLKR-SJORKVTESA-N 451.568 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1359330401 QKUSCWVSESWKMY-QGZVFWFLSA-N 495.531 2.998 30 10 JFEE CCOC(=O)[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H](O)c1ccc(Cl)cc1 1453805725 BLPSBLDUOQGEQL-MAODMQOUSA-N 459.905 2.959 30 10 JFEE COC1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN(C(=O)OC(C)(C)C)CC1 1458879535 HIHHGQQAYLASAQ-LJQANCHMSA-N 456.543 2.586 30 10 JFEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C)(O)C2)c1 1467708828 KZZCFCWJGXMKKK-UHFFFAOYSA-N 450.944 2.937 30 10 JFEE C#CCOc1ccc(CNC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 1478235014 FGTNBSWMHKLOLK-UHFFFAOYSA-N 456.442 2.870 30 10 JFEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1493559047 AQQVXQXZUPKPRE-IQGLISFBSA-N 465.602 2.998 30 10 JFEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 1503844079 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C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1508098411 OSJWIKXZXFXSQU-UYAOXDASSA-N 476.622 2.556 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1508132380 XQLSYPXJGIBJIC-NRFANRHFSA-N 453.008 2.840 30 10 JFEE CC(C)NC(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)C#N 1508420553 ADMDVOXJGIUOHG-QGZVFWFLSA-N 461.611 2.903 30 10 JFEE COc1cccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)c1 1518347781 FPCIQKHWIMXPDQ-NTKDMRAZSA-N 478.532 2.679 30 10 JFEE Cn1cc(CNC(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 1521696540 HWVNMBINLIGANG-FQEVSTJZSA-N 453.543 2.991 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539104893 SGQGOOYFMBMSOS-NRFANRHFSA-N 452.603 2.592 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539211893 PXJYVXBCLAPAPE-NTKDMRAZSA-N 474.627 2.768 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1539213022 UAVBBTNAYXCXSM-AWEZNQCLSA-N 496.412 2.741 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1539219311 BSWYADWDKLFKCD-RBUKOAKNSA-N 463.003 2.809 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539220484 SPWBIVPFUHQZDA-HXUWFJFHSA-N 460.648 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(C)c(OC)c2)CC1 1539484455 PTHYOSOBUBAGEY-UHFFFAOYSA-N 472.593 2.789 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1539539178 RJWZXLGBGXBZTP-UQBPGWFLSA-N 467.570 2.668 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1539595876 GXBKWCALHIJRKZ-WBVHZDCISA-N 488.452 2.521 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539731310 ZTXYAGPAEJCRBS-QFBILLFUSA-N 452.552 2.773 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1539779731 DTEFWVDKYUBQPR-GOSISDBHSA-N 465.023 2.622 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(C)C)CC1 1540904263 LAUGYARPCONPTF-UHFFFAOYSA-N 456.616 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1540906982 IJMRAKPDCUWQBM-OALUTQOASA-N 481.663 2.961 30 10 JFEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2)OC 1546917531 AMPPHUFJFFTDRA-FQEVSTJZSA-N 452.559 2.650 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 1587683218 FEOFDYVHGAKYPC-RTBURBONSA-N 478.597 2.774 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccco2)c1 1587697549 SHAKAHBJDRMCKC-SANMLTNESA-N 470.533 2.821 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588040901 RNFCGSDNWASYAD-ZHRRBRCNSA-N 492.960 2.865 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSCCCO 1588134033 RRZQNMKPEWWLOP-IBGZPJMESA-N 461.632 2.581 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC(F)(F)CO1 1588434110 VVFUTZWDXWTMOU-OAQYLSRUSA-N 458.557 2.527 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(OC)C2CC2)CC1 1588913605 OBEAAPOCCPGTEU-RUZDIDTESA-N 451.571 2.735 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1589068429 BSTLDNWHXYIDSD-KRWDZBQOSA-N 475.596 2.624 30 10 JFEE C#CCSCCn1c(N2CCC[C@H](Oc3ncccc3F)C2)nnc1[C@]1(OCC)CCOC1 1589125925 RXLHWDXCZFLFEQ-MBSDFSHPSA-N 475.590 2.879 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1593806965 GXYXKMYPCOPODR-KRWDZBQOSA-N 468.023 2.523 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1594497135 APXQANXAVGNWCG-NHCUHLMSSA-N 494.706 2.526 30 10 JFEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)CC1 1594573310 RGEIEQRGZBBSBP-UHFFFAOYSA-N 459.620 2.571 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1594807123 FGJZCZIHWBDSFE-GOSISDBHSA-N 487.992 2.725 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CN(C)C)c1 1594942949 HZBTYTOBEQWGMX-UHFFFAOYSA-N 453.616 2.970 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1595165270 DMPGXYYYLVKEPW-HSZRJFAPSA-N 474.613 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)C1 1595761196 YTOMLWSVMPHDPN-QHCPKHFHSA-N 475.615 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595798830 UMAVAIABDWPVRZ-UHFFFAOYSA-N 463.648 2.765 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C1 1596576002 DYHOLSAEPXQTIK-QFIPXVFZSA-N 465.602 2.567 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)C1 1598026798 FSEONYHRWOBKBE-CLOONOSVSA-N 450.587 2.966 30 10 JFEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1608066741 DAAOSEALFOACTL-CTNGQTDRSA-N 456.616 2.560 30 10 JFEE CC1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 1612868660 HLLJTYQSVSWENL-UHFFFAOYSA-N 492.672 2.585 30 10 JFEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1618879562 BOIHACBQZMJKTR-UHFFFAOYSA-N 453.543 2.813 30 10 JFEE Cc1cc(C(C)(C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1Br 1637033618 CLFNAHVIHGGWMJ-UHFFFAOYSA-N 450.358 2.959 30 10 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C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN([C@@H](C)C(=O)NCc1ccco1)C2=O 96279613 RKFGJOUBZNSTOD-XOBRGWDASA-N 454.914 2.987 30 10 JFEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1 111277405 RWYZCLZZTCFHLS-RKKARLDVSA-N 452.507 2.927 30 10 JFEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 111831642 SVFDIAICNJTVCZ-FMFFHWJCSA-N 467.478 2.888 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1cccc(OC)c1OC 169950358 HJQXWMKZZQEQBB-FQEVSTJZSA-N 457.479 2.946 30 10 JFEE CCN(C)C(=O)[C@H](C)Sc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253573209 RDYODWPQIXEKQU-NSMHLIOHSA-N 455.592 2.770 30 10 JFEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCCCC3)c2I)OC1(C)C 725437992 IPAFCAYVPVJJJV-UHFFFAOYSA-N 477.173 2.765 30 10 JFEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)O)cc1C 777292073 WAXKLVAYMFXMQV-HOYKHHGWSA-N 497.573 2.626 30 10 JFEE CCOc1cc(/C=C2\S/C(=N\C)N(C)C2=O)cc(I)c1OCC(=O)OC 1084348463 OISUVTZNSLBCRC-HEOMYIDWSA-N 490.319 2.774 30 10 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492.564 2.534 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1358960709 KAPGUVDGKBWTPS-LJQANCHMSA-N 453.568 2.596 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358961198 TVODFHVSZCKCGT-HSZRJFAPSA-N 494.665 2.799 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(F)c(COC)c1 1358971307 PUIQSLDDRFIZCQ-UHFFFAOYSA-N 494.596 2.953 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1358990127 BWZBCLCCQGBFNK-QHCPKHFHSA-N 454.534 2.969 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[S@](=O)C(C)(C)C 1359018032 APAWCLXOIAZAAJ-YTTGMZPUSA-N 459.616 2.780 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1359030750 DQJMDBCIGIADAT-BWKNWUBXSA-N 471.577 2.682 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCOC2CCOCC2)CC1 1359039128 XWMDWRYBGHSWRR-UHFFFAOYSA-N 474.005 2.851 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)Cc2ccc(F)cc2)CC1 1359044602 JZXIRRSBTRODRT-HSZRJFAPSA-N 482.604 2.757 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2nc(C)c(C)s2)CC1 1359046178 HNACGLNURISOHS-UHFFFAOYSA-N 483.667 2.916 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1359047936 ZDZGNUSBFMXVKD-UHFFFAOYSA-N 467.467 2.987 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)CC1 1359077412 BKZYFEDICSNICO-UHFFFAOYSA-N 488.228 2.723 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C)c1ccccc1 1359194893 CXFGGGFTRJZAPG-QIJUGHKUSA-N 471.627 2.597 30 10 JFEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359220854 LDXDOYCPHQQIAO-NVQXNPDNSA-N 488.677 2.808 30 10 JFEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359283261 FYHDTIXVSDOBKS-SFTDATJTSA-N 489.642 2.852 30 10 JFEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)Cc1ccco1 1359287466 FSODHZULPIYLDH-HXUWFJFHSA-N 457.556 2.597 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359295741 MICBKVCUEXSRBZ-NRFANRHFSA-N 462.602 2.935 30 10 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C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)NCC)CCC1 1507999410 KHLSUPLAIONPCR-HXUWFJFHSA-N 461.570 2.600 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1508040129 SYOCWTSMRFERPA-INIZCTEOSA-N 488.532 2.895 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](COC)C1 1508086393 KYFPPHLZDRVXGU-IBGZPJMESA-N 493.612 2.791 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(C)=O)cc2)C1 1508110853 UXPVDBHEPBYASV-FQEVSTJZSA-N 461.526 2.713 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1508118124 PNYOQQNLUFPRCB-HXUWFJFHSA-N 469.567 2.604 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1508152850 SGSZIVBKELAHJL-IEBWSBKVSA-N 465.645 2.694 30 10 JFEE C[C@H]1CCCN(C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)C1 1512172641 GCIMJJXEWLSZIQ-RBUKOAKNSA-N 487.674 2.907 30 10 JFEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 1532724721 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UICDUCHLFHLJIV-UHFFFAOYSA-N 473.624 2.806 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 1540917572 ZUJXWTAJDSLFEP-FPOVZHCZSA-N 491.683 2.833 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)Cc1cccc(F)c1 1541117358 DTYJUMBAWIKYEV-GOSISDBHSA-N 474.544 2.610 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(Cl)cc1F 1541675201 CTBPSVCYORWMBJ-HNNXBMFYSA-N 497.966 2.634 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2cccn2)C1 1541987748 DVAZKYGXSBKCQY-QFIPXVFZSA-N 453.572 2.765 30 10 JFEE N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2)c1 1543062723 HFMWQGLXXZKCMW-HXUWFJFHSA-N 457.527 2.503 30 10 JFEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccc(C(F)(F)F)n2)C1 1555796476 FQNRHYZNVPKJQU-KRWDZBQOSA-N 476.484 2.902 30 10 JFEE CN(Cc1nc(O)c2sccc2n1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561104880 BTJRZQMGNOXVCV-UHFFFAOYSA-N 457.306 2.991 30 10 JFEE C#CCN1CCCN(C(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 1565814928 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C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCOC(C)(C)C)CC1 1286491809 CFDNHTYTOSCLIG-UHFFFAOYSA-N 453.587 2.946 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286498791 ANNHYLWXVVESGD-YKSBVNFPSA-N 496.681 2.699 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286499643 NPSHZCGWDRZYTK-UHFFFAOYSA-N 463.611 2.911 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCN1CCOCC1 1286551731 IWZVFJRWBFBEDG-AUSIDOKSSA-N 471.602 2.712 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286701159 WBGCUOJRYYCLGH-SJORKVTESA-N 453.609 2.640 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1)C1CC1 1286735140 OTPZPFCYTFBJFG-UHFFFAOYSA-N 468.583 2.802 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286792633 DMOLGJPTENWAOY-UHFFFAOYSA-N 481.626 2.800 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1286821789 VESZUXNRRDCPNZ-GOSISDBHSA-N 479.597 2.813 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1286822387 DIMRUAGPEGKRPG-CYBMUJFWSA-N 464.455 2.687 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@H]1C 1286823123 KFWIVDLIJACUFQ-GOSISDBHSA-N 462.616 2.981 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1286823223 LEQHDFIAJNHWLC-UHFFFAOYSA-N 462.595 2.810 30 10 JFEE C[C@@H](NC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1288766107 CXDBPVMNDQLNER-QUCCMNQESA-N 474.569 2.784 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)[C@H](C#N)C1 1296165529 BNYURVNGJDQJQG-CRAIPNDOSA-N 459.524 2.742 30 10 JFEE CCOC1CC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1296909848 HAEMXPDIEOKRDR-QRFVXNFXSA-N 461.563 2.996 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300314702 IAMMIGFVCSJMQI-YOEHRIQHSA-N 456.538 2.745 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(=C)C 1300578406 CIDITDDAPWYURA-AUSIDOKSSA-N 456.550 2.636 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(C(N)=O)CCCC2)CC1 1300684091 XDHXNSVCPZYLDL-OAQYLSRUSA-N 464.614 2.836 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1300695746 ICSWMMNNODUBDH-XMMPIXPASA-N 459.598 2.715 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)CC1 1300711958 KYPXKZCOYVEUFO-UHFFFAOYSA-N 476.625 2.712 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1300830577 ZPHQSPQLJFYHPU-NRFANRHFSA-N 495.374 2.875 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1300868709 GZLIUBPXYDTZFS-VKDGWMQASA-N 464.607 2.758 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1300930505 FSCKLFPKOHYCCC-GOSISDBHSA-N 473.647 2.864 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1300971951 CQKNFBOIBPTFMU-GOSISDBHSA-N 464.611 2.702 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1301222403 WKAPDLCJZCGLAM-AWEZNQCLSA-N 462.601 2.883 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1301367451 OLSPQXNDTHOHBL-IRLDBZIGSA-N 465.602 2.988 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1301483623 RHMCBNKPKCNWBN-PMACEKPBSA-N 486.064 2.896 30 10 JFEE C=CCn1c(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccccn1 1307314314 KERARAJTOQBWOD-INIZCTEOSA-N 452.540 2.584 30 10 JFEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)c2c(C#N)sc3ccccc23)CC1 1309129088 ADYAFDSOEROVSC-UHFFFAOYSA-N 454.577 2.920 30 10 JFEE N#Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1309460868 BKDVKXXHNWOOME-IRLDBZIGSA-N 455.536 2.503 30 10 JFEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2)CC1 1315978930 FTFLFDSXDKQKCP-AREMUKBSSA-N 482.629 2.971 30 10 JFEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1358906589 MWJHBGQPAOULAR-UHFFFAOYSA-N 473.419 2.769 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1358924400 VPWLWDVZVKNMIL-UHFFFAOYSA-N 467.936 2.972 30 10 JFEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1358932162 ANUVMLHUFDVWCT-UHFFFAOYSA-N 454.600 2.672 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1358934560 FTYIJPDDUMRFHP-JOCHJYFZSA-N 494.640 2.802 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358945958 BNKDCECNCGFRPT-KRWDZBQOSA-N 479.585 2.764 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1358957799 AMIOKEQQAUEMEB-OAHLLOKOSA-N 494.408 2.538 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1358985743 GOCFQLFLAZWKNV-MYGLTJDJSA-N 485.629 2.968 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1359031673 LIGWOYNOWKQKRT-UHFFFAOYSA-N 498.628 2.975 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nnc(CC)s2)CC1 1359041536 ZYZDZUPRWFIWEM-INIZCTEOSA-N 497.600 2.985 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359056547 HAMZTSWLCZPRQI-LJQANCHMSA-N 458.588 2.581 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359077677 IRAZOCNRWDXIFL-GJZGRUSLSA-N 485.383 2.995 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359090256 XTFDTPFFZWLBDK-PGRDOPGGSA-N 469.586 2.977 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1359122527 ZQOJXXZPCPCXOR-GOSISDBHSA-N 462.595 2.611 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1359128142 LERMWNAZIIGALP-UHFFFAOYSA-N 491.434 2.558 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCOCC2)CC1 1359128192 MIZKBWYSIGSRKR-UHFFFAOYSA-N 456.547 2.747 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1359173992 UKSOBSMTKMYUCZ-GHTZIAJQSA-N 460.648 2.902 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1)c1ccccc1 1359193598 GTBRRTPGUZEINU-SVFBPWRDSA-N 460.648 2.779 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359210368 RIWGSUBURHLFAB-HXUWFJFHSA-N 453.547 2.562 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359225478 ADTKVZFIXHTLBH-QFIPXVFZSA-N 481.645 2.764 30 10 JFEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1359226062 VNTGTAMQFKCEBD-LJQANCHMSA-N 465.602 2.798 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1359237865 PKIMTLYNVMPMQU-KRWDZBQOSA-N 470.599 2.683 30 10 JFEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1359282870 VOCROLZPVJYOTO-FDFHNCONSA-N 498.628 2.927 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1Cc2cccc(Br)c2C1 1359302356 DPLGDIPYBVKZOJ-UHFFFAOYSA-N 453.344 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(F)F)C1 1359333534 ARIXHKYWCQPIFT-MRXNPFEDSA-N 464.542 2.599 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1359342109 PFXAEOMOCZUWRP-DLBZAZTESA-N 464.636 2.623 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1 1448353967 LAFYLDAUXNOOJU-UHFFFAOYSA-N 457.527 2.537 30 10 JFEE CCCCn1c(CCC(=O)N(C)c2cc(C#N)ccn2)nc2c1c(O)nc(=O)n2CCCC 1459108519 BOMDLBSOGSXGKX-UHFFFAOYSA-N 451.531 2.761 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 1464793186 NZANPWGSOFGRBX-AWEZNQCLSA-N 453.337 2.548 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)s1 1465238752 PPAWUFBPKWTBSH-UHFFFAOYSA-N 452.945 2.775 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1465545933 YSBCADFXGXVYJW-UHFFFAOYSA-N 455.305 2.907 30 10 JFEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)cs1 1492691373 HDGJXZUFIUHCRE-GOSISDBHSA-N 465.583 2.828 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1498508951 CZPVDVLLQGOWHH-INIZCTEOSA-N 453.522 2.632 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN(C)CC(F)(F)F)c1 1507549953 CNASNOPAVLBRDD-SFHVURJKSA-N 478.519 2.722 30 10 JFEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507555595 TXSVGMCGQMIHCN-LJQANCHMSA-N 481.626 2.904 30 10 JFEE 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467.595 2.687 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507749045 VQAOKGBNTJNUGZ-RDPSFJRHSA-N 496.681 2.699 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507756809 MYGQKAHZSNHERA-UHFFFAOYSA-N 462.641 2.935 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(C(C)C)n2)CC1 1507885340 XSJPUYCLBHLWMM-SFHVURJKSA-N 480.660 2.590 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1507899008 YWVUHBSOHYMVNV-DEOSSOPVSA-N 457.550 2.902 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1507910192 IRSUOYCZCYOUKJ-UHFFFAOYSA-N 494.648 2.872 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507954209 LKTKEOLZDHXIHP-OTWHNJEPSA-N 465.595 2.793 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CC[S@@](=O)CC 1507999100 JADFAFMVJFYFOE-XIFFEERXSA-N 466.567 2.839 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1508038049 OCTWGMSGNLTOAQ-RBUKOAKNSA-N 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2.878 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1540119729 MBFLBOBOIYJGRV-UHFFFAOYSA-N 454.619 2.941 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1540169647 GUHKZFNWNYQNJB-OAQYLSRUSA-N 488.589 2.653 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1540198590 MVHXKXGYOFZIIX-VQTJNVASSA-N 479.622 2.837 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccc(F)cc2)CCOCC1 1540198950 UJRYRSNLNWGUQB-HXUWFJFHSA-N 457.550 2.756 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1540854801 FCMPZEKMSCFQDH-HKUYNNGSSA-N 457.575 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1540902494 KYOLEFASTBCDQX-SFTDATJTSA-N 482.647 2.675 30 10 JFEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1)OC 1545962616 GPYUCNKZZDKEQN-UZLBHIALSA-N 450.547 2.816 30 10 JFEE CNC(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1nccn1C 1548380544 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2.911 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690185894 IDXZZNQXRYGWQI-MXEMCNAFSA-N 461.676 2.720 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690254599 DQZKROLVOQBUKP-HAGHYFMRSA-N 477.606 2.841 30 10 JFEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1690257962 ZSBGCFQFMMUMBA-ZEQRLZLVSA-N 479.691 2.929 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1 1690561419 PPEGRSMEROCMNG-QFIPXVFZSA-N 462.579 2.763 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C 1690622311 MVNLWSWCRRMORA-MOPGFXCFSA-N 450.628 2.982 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1690632587 DTOIUOSMJNKQTE-PMACEKPBSA-N 472.659 2.529 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)c1cccs1 1690662994 IVAHVYHDYQIBSR-HNNXBMFYSA-N 459.597 2.910 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1690679128 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C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705567067 SYNBXXGALVAHQA-RTWAWAEBSA-N 456.612 2.772 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705570055 MBUCSEZDFRIGRK-AKIFATBCSA-N 470.639 2.753 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCc1ccco1 1705598959 SSFBPTLJFSYJRS-UHFFFAOYSA-N 494.596 2.765 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1705627638 MKDWRGRVRITMJR-FQEVSTJZSA-N 464.501 2.690 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(C)(C)O)CC1 1705646323 WHTGULHWKFPXCP-UHFFFAOYSA-N 483.613 2.868 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCc2ccn(C)n2)CC1 1705649281 RQZVQXZQRJMYCT-UHFFFAOYSA-N 451.962 2.541 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1705655540 GODBCHFHGRUMKU-MRXNPFEDSA-N 496.406 2.554 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1705780322 FDGBBXKZDPBEDS-MRXNPFEDSA-N 482.651 2.690 30 10 JFEE 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30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722363896 CLVDXWDLCODKIY-JTHBVZDNSA-N 487.645 2.755 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1722365787 NWIALHILKQZTLG-HXUWFJFHSA-N 469.636 2.926 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1722369426 ZBJULGHUEXVEJG-VXKWHMMOSA-N 472.611 2.731 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc([C@H](C)O)cc1 1722427805 ZRXUWHLQSVBRJO-SIKLNZKXSA-N 499.612 2.774 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1722430492 CTYSPQOLVPCFEY-NAKRPHOHSA-N 494.684 2.939 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCOCC(F)(F)C(F)F)CC1 1722439130 PQYYAARICBNELK-UHFFFAOYSA-N 453.484 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1722440274 BNOZEOQDYZOFDM-QGZVFWFLSA-N 460.623 2.797 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)CC1 1722442211 PQJYTSAEENCRRK-UHFFFAOYSA-N 453.978 2.779 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncc(CC)s1 1722446679 IGTINERALHYEBH-UHFFFAOYSA-N 477.594 2.828 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)cs1 1722490943 FYSVENWPCOWKHK-NUJGCVRESA-N 453.634 2.876 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722510408 RTBIAWCLQVDUNC-XLIONFOSSA-N 450.630 2.925 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722606501 AHRZNWYVPPWYKZ-UHFFFAOYSA-N 474.631 2.945 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1722671824 CSSZGPFCVLUFNQ-PXNSSMCTSA-N 463.579 2.732 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cc(CO)nn2)C1 1722713309 AIBMUCLTTIKMNG-KRWDZBQOSA-N 488.390 2.663 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1722731564 NTZMIBHOPONZER-OFNKIYASSA-N 460.600 2.525 30 10 JFEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1 1729738803 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460.542 2.711 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286353478 XNJACDPNPLSHCE-ZDQHKECQSA-N 489.617 2.773 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286418984 VBRSHCZIYGIXGH-UTKZUKDTSA-N 458.360 2.837 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)c2nccs2)CC1 1286473909 VGQRIWIEJOHOHE-QGZVFWFLSA-N 452.584 2.978 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1286516562 JEVGBZMIKUAFAB-FDDCHVKYSA-N 454.600 2.925 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1286517144 ONKILSDMXXKQPI-UZUQRXQVSA-N 459.616 2.867 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1286565706 KHLFLJANICORGB-IIBYNOLFSA-N 490.402 2.879 30 10 JFEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1286649560 JCACPVXWRFEKFS-FHWLQOOXSA-N 455.550 2.515 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286687640 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450.631 2.653 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCC(F)(F)F 1359024861 XEMPTGVKBUCJCV-KRWDZBQOSA-N 453.465 2.643 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2ccc(F)c(F)c2)CC1 1359043697 DZCVMJRVONXBAN-UHFFFAOYSA-N 454.481 2.596 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359052383 CZJSSPDHDZJGKG-TZIWHRDSSA-N 458.584 2.713 30 10 JFEE C#CCSCCn1c(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1359061916 PPBOXMSNWMWUFA-RUZDIDTESA-N 498.653 2.855 30 10 JFEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359085637 UYWUFEPSOHOGLS-RBUKOAKNSA-N 461.408 2.720 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359090120 VFSZPVICECKVTH-AVRDEDQJSA-N 481.576 2.735 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359091701 QTGMMVQVEZNNGI-DYXWJJEUSA-N 481.601 2.649 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1C(C)(C)C 1359105969 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C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689986392 OMLWVBTZKVWBHM-NRFANRHFSA-N 483.638 2.719 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689994126 RKWYWBDMHKFRRC-OAQYLSRUSA-N 467.595 2.733 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1689998553 POCMRTGATNMWLY-MSOLQXFVSA-N 465.620 2.777 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690008286 CLNQJSPFHJOGII-WOJBJXKFSA-N 465.598 2.923 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCCC2)CC1 1690111650 GSQDLPPCINMGHB-HXUWFJFHSA-N 453.587 2.877 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690159742 LCCGAACBCQGBCJ-INIZCTEOSA-N 468.048 2.731 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690174441 DIHPICLUAQSTHF-KRWDZBQOSA-N 451.637 2.963 30 10 JFEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1690184476 JOTUXKXFBIYGBP-UHFFFAOYSA-N 461.613 2.834 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690299400 QFRPSEXJHKEJKM-GOSISDBHSA-N 485.589 2.964 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690334139 FOTNLANNUKNXCK-GOSISDBHSA-N 478.018 2.844 30 10 JFEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1690343676 ANHVLODRSPSBNG-UHFFFAOYSA-N 466.977 2.940 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690358837 LURWGFOPZOZDFQ-BTYIYWSLSA-N 450.971 2.962 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690434694 DBEATGHIAVNMID-NZQKXSOJSA-N 465.646 2.855 30 10 JFEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1690454102 URTNIJPNLTYBHX-UHFFFAOYSA-N 485.452 2.920 30 10 JFEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690467899 LWYSUZPLBCESQF-JOCHJYFZSA-N 464.570 2.913 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1690568048 YVMCAWHKPQNODH-MRXNPFEDSA-N 451.568 2.525 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1690571638 FCDYXIGRGYEHEH-UHFFFAOYSA-N 475.590 2.700 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCO1 1690624445 RJHNCTGHGVENAM-MOPGFXCFSA-N 465.595 2.794 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCN(C)C(C)(C)C2)C1 1690707348 TYKMOISUCFXPIT-JOCHJYFZSA-N 468.646 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1690714229 HUDGMYWPBCOYPC-QUCCMNQESA-N 480.594 2.909 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)C1 1690714537 ODJDQHNMCWYPIB-UAFMIMERSA-N 466.648 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C2CCC1(C)CC2 1690724866 XUGUWUQYFPONPJ-FRIYVGAWSA-N 495.646 2.709 30 10 JFEE CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1694653012 ATOJKANQIQCTEJ-DEOSSOPVSA-N 470.643 2.573 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1696173397 GGVKLRSLROKLGI-DEOSSOPVSA-N 482.585 2.668 30 10 JFEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1696763112 GIKPBIJNCZYNEM-HKUYNNGSSA-N 464.492 2.553 30 10 JFEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705511808 HFLUUNTZWQUYMZ-HXUWFJFHSA-N 475.601 2.713 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1705561419 QBRSSMZBFJEHDU-REWPJTCUSA-N 493.029 2.647 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N1CCOCC1 1705591651 USMBYWGAJBJZAT-IBGZPJMESA-N 465.623 2.843 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCCN1CCOC1=O 1705616628 LMQACOBXRBUAPL-UHFFFAOYSA-N 462.348 2.921 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705690661 DGHHRFQGIQKTJX-HZPDHXFCSA-N 476.375 2.879 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705703948 PSOQDCCCNCCZSQ-AOIWGVFYSA-N 455.563 2.820 30 10 JFEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705808950 FHGIIBVIHPHICE-UHFFFAOYSA-N 484.576 2.624 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1705902629 ISZMFHDFOIMISI-OAQYLSRUSA-N 455.559 2.878 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1706228010 BZGMPWNYJYTRLI-OTASCSKISA-N 498.653 2.628 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 1706867960 IFAUGMNILUZZBX-MJGOQNOKSA-N 489.621 2.684 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1710336138 DBBDVRSSZIOMNR-FQEVSTJZSA-N 464.618 2.933 30 10 JFEE COc1ccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1711817832 FCHZQJPHAHJKGO-QHCPKHFHSA-N 453.522 2.842 30 10 JFEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C[C@@H](C)O1 1712303342 GDRFVQBTAFRHCJ-UZKOGDIHSA-N 455.559 2.928 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(-n2ccnc2C)nc1 1722347073 YSMFIVFETSZHQS-UHFFFAOYSA-N 473.537 2.978 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1722360378 UHBBYKVKRPLLLB-OALUTQOASA-N 484.578 2.949 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722364068 DSGSHFKCWSRLID-FQEVSTJZSA-N 484.651 2.597 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722368362 QJBWIASJIYZVHZ-JXFKEZNVSA-N 480.537 2.504 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1722386205 SKIYVMOJFXZMJU-HXUWFJFHSA-N 463.973 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC(F)F)OCO2 1722387063 FSFQFQLRRZTIDK-UHFFFAOYSA-N 494.458 2.767 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1722422328 XQEGWGATWXQTFR-QHCPKHFHSA-N 476.046 2.892 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1722430587 GBAJLNVCHFTIJR-WCYRKSIYSA-N 486.705 2.830 30 10 JFEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722456943 KDJRLTUXXIHPPS-LJQANCHMSA-N 498.678 2.968 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722461553 RLFYJTIZFRJTJB-UHFFFAOYSA-N 455.609 2.670 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722483391 GSBYCSKXBMSXRH-KRWDZBQOSA-N 491.365 2.676 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722496323 KMTLACOTDNROES-UGKGYDQZSA-N 488.036 2.621 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCC)C1 1722535068 YELSDWWDXZDZTL-GOSISDBHSA-N 452.559 2.648 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1722566635 VYWMDOVXZBQMNV-OAQYLSRUSA-N 471.627 2.867 30 10 JFEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O)C1CC1 1722646034 FRFMAQSSOAOBJS-UHFFFAOYSA-N 451.980 2.797 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1OCCC1(C)C 1722655625 PAAKGEGIBGNUDZ-FXAWDEMLSA-N 472.615 2.768 30 10 JFEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722674525 HCVADHFTLLCNLR-IBGZPJMESA-N 454.600 2.741 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722684675 OEIMYKKVONOHAC-UHFFFAOYSA-N 451.575 2.984 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(CC)nn(C)c2OC)C1 1728708384 AUXTUCSTLPJGHS-LJQANCHMSA-N 492.584 2.884 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740565495 BDCIGLQDISIMDY-JOCHJYFZSA-N 482.610 2.946 30 10 JFEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740573228 NIZVUSKPBDWKQF-RDPSFJRHSA-N 466.605 2.800 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCn1cc(Br)cn1 1740643735 NBPRIKWWJSUICH-UHFFFAOYSA-N 457.307 2.728 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740652302 XGPFTGKETYDKRH-PMACEKPBSA-N 463.536 2.893 30 10 JFEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CC[C@@H](C(F)F)N1CCOCC1 1740670600 QHQSTCJRSFSJOR-IBGZPJMESA-N 453.484 2.963 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)n1 1740688287 CQRRKLHUENDYAY-TZIWHRDSSA-N 485.633 2.969 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1740707322 YDTSTCLNYVLPFI-VQTJNVASSA-N 465.598 2.658 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1740716645 WCJTUTLUDZYZNQ-IBGZPJMESA-N 455.559 2.834 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Nc2cccnn2)CC1 1740721336 GDNNRXLEVNKFGZ-UHFFFAOYSA-N 482.639 2.507 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1740737288 GVQLDWPIIOQMNW-SJORKVTESA-N 481.439 2.944 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 1740754497 TZZIURXWHKDLGW-GRDNDAEWSA-N 463.380 2.719 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740758700 AWWHTCVSWYXRAD-JXKFMYIUSA-N 454.619 2.791 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1740774345 QUXBTTOALHDACL-NRFANRHFSA-N 470.599 2.610 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740789371 KDGFFDYJIJKWNO-NRFANRHFSA-N 477.613 2.542 30 10 JFEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1740798130 ZRJQMKXAVWQOKH-UHFFFAOYSA-N 464.570 2.669 30 10 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C#CCN(CC)c1nnc(Cc2ccccc2C)n1CCNS(=O)(=O)c1ccc(C)s1 1748930169 AQELVHNBAXTXBW-UHFFFAOYSA-N 457.625 2.985 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CSCCS1 1748965966 YCJTZOZLJTZCNH-MSOLQXFVSA-N 497.687 2.521 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2Br)CC1 1748993962 SDFHSOPDJPDTNA-UHFFFAOYSA-N 451.372 2.830 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCOCCS(C)(=O)=O 1749078907 SOGBUYSYLMJAMP-HSZRJFAPSA-N 460.600 2.527 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@@H](C)C1 1749149197 VNCYVNVNVXJZDO-FQEVSTJZSA-N 465.606 2.824 30 10 JFEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749621964 JQVBYRYRWFAZLH-UHFFFAOYSA-N 457.556 2.775 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1749669831 OIFJLKAIABLOQV-UHFFFAOYSA-N 456.591 2.778 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1749731777 KCWHYYPSVPPAMP-GMAHTHKFSA-N 487.670 2.874 30 10 JFEE 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2.657 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1300345309 SPGAVIIGCMDBSK-UHFFFAOYSA-N 477.407 2.818 30 10 JFEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300373395 YDSMBDYTZSQYNP-HSZRJFAPSA-N 478.641 2.966 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1300504844 UNMFTDRQNLSIBA-NRFANRHFSA-N 495.605 2.634 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccc(F)cc1 1300539066 XIIWDAUQYLJAKE-LVXARBLLSA-N 497.571 2.706 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1300603680 WRTOJLLOVJSBFG-RUZDIDTESA-N 453.587 2.723 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(OCCOC)CCOCC2)CC1 1300688427 FCMNOMFCCMXKDI-UHFFFAOYSA-N 474.005 2.566 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCSC)CC1 1300727407 WWGHOYUUHNWKER-HXUWFJFHSA-N 455.584 2.510 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300766153 VACAJWCVCDYHLM-GJZGRUSLSA-N 456.584 2.771 30 10 JFEE 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C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301489724 ARWUXCURQVXWCY-PXAQALGRSA-N 475.977 2.682 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCCCC2 1301955843 AJYRRSLBDCOWFM-CYBMUJFWSA-N 458.368 2.998 30 10 JFEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1302005192 BKSOHLAZXJMZCM-OAQYLSRUSA-N 480.613 2.879 30 10 JFEE CC(C)c1nc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CCO2)no1 1302545295 GOWNOWUVBXDNSK-QFBILLFUSA-N 450.547 2.851 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1N(C)CCCC1(C)C 1316099487 DLPWZVARGQAPMR-NRFANRHFSA-N 488.658 2.835 30 10 JFEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1358922778 QOWDDRBEVRDEOH-UHFFFAOYSA-N 466.405 2.593 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358957964 DSPOPTGAQXZWBI-JTAQYXEDSA-N 480.638 2.564 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358958636 SMJCWSGJTMNKPO-ISKFKSNPSA-N 494.665 2.811 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1358959937 SIGQLXNTMCYYGL-MRXNPFEDSA-N 454.021 2.762 30 10 JFEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC)c(OC)c1Cl)[C@H]1CCS(=O)(=O)C1 1358962084 JYOAIAMTXMQSCK-KRWDZBQOSA-N 479.002 2.696 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1358987758 RCZDICAAYCFLEW-NLFFAJNJSA-N 450.539 2.763 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCSC1 1359015585 YIRXSTNFDYZALB-QHCPKHFHSA-N 459.591 2.843 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)CC=C)CC1 1359042226 XGIRBXCVSMQDIZ-VWLOTQADSA-N 457.619 2.887 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359061301 YDFMITVBLHNTBI-AZUAARDMSA-N 459.591 2.520 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1359093993 VRDOIJMOILPDAX-SJLPKXTDSA-N 453.996 2.565 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359135895 RCPOOSAXNVXITB-FQEVSTJZSA-N 454.575 2.623 30 10 JFEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1)c1ccccc1 1359193759 IZLLQVGLHQSXBU-SJLPKXTDSA-N 456.572 2.799 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359198638 WKLFNRZJAVNAIE-KSSFIOAISA-N 467.558 2.774 30 10 JFEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C 1359243476 SUPORHIQSMQNEZ-UHFFFAOYSA-N 453.635 2.570 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 1359260490 GFRLIZGXGBVHCK-FQEVSTJZSA-N 456.566 2.672 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359305917 QPGPNNTWTNNKAW-IBVKSMDESA-N 499.587 2.859 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1359472145 GRUISWUWOGBLRQ-IEBWSBKVSA-N 494.662 2.813 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCOC1 1360480559 BXNCDEHDTZCFRP-VXKWHMMOSA-N 451.619 2.808 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)C1 1360784377 DOPCWDUGRNZKDW-IFXJQAMLSA-N 450.469 2.833 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)CC1 1467452614 PBTOOEYALACKBL-UHFFFAOYSA-N 453.564 2.706 30 10 JFEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)c1ccc(Cl)cc1 1468721765 XWFZUBFBNOQZNM-KRWDZBQOSA-N 452.985 2.899 30 10 JFEE C=CCCONC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 1472601582 SUZVCSQWCJAXIN-UHFFFAOYSA-N 453.520 2.994 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCC[C@H]2C)c1 1507549918 BPAAHTAQKHBDCM-TZIWHRDSSA-N 450.587 2.713 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507557335 PTYNQLRXIQTTBA-DLBZAZTESA-N 463.608 2.582 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507583927 XSHMANRTWPJHPC-KRWDZBQOSA-N 487.630 2.755 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1507628018 MQTNSSPDDHUKOD-JOCHJYFZSA-N 481.622 2.973 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507632891 BHFSOGJUMHCFKC-IBGZPJMESA-N 474.627 2.753 30 10 JFEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CCC(N)=O)CC1 1507750745 DDYYSYCHQRQDJU-HXUWFJFHSA-N 455.584 2.639 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507788944 RPPRGYAFQIXPRW-CXAGYDPISA-N 467.437 2.699 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507796745 JKSTZOCLGIWKOT-DGQTTZFYSA-N 476.599 2.641 30 10 JFEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1507843744 SMXCFISEHTTZRO-UHFFFAOYSA-N 465.558 2.634 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1507985359 ACALQKOPZCSUJE-HSZRJFAPSA-N 454.600 2.559 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC 1508007307 ZOILBBJQFNBSHP-UHFFFAOYSA-N 473.628 2.628 30 10 JFEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1508047247 DLBCLADXFJDULD-QGZVFWFLSA-N 453.547 2.609 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1508051428 CCFZDQKLUUHJDX-UHFFFAOYSA-N 451.531 2.664 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1508098582 QFULWEFATLCNDF-JFIYKMOQSA-N 472.556 2.572 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1508143500 ZQKNWNQPAFQFJS-FGZHOGPDSA-N 474.627 2.913 30 10 JFEE N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 1514587753 AQMFYYLTIZZWNS-QHCPKHFHSA-N 459.502 2.930 30 10 JFEE CCN1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1515866273 HYBUTAWRAQJWOE-FQEVSTJZSA-N 456.616 2.963 30 10 JFEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1516454247 GYHJZDFRBPKYME-HXUWFJFHSA-N 461.574 2.823 30 10 JFEE CN(C)c1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1516998345 GJZSRQKXPNWVNP-SFHVURJKSA-N 455.469 2.785 30 10 JFEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H](c3ccccc3F)N3CCOCC3)CC2)c1 1529382829 HNYVRAWLXFXLPO-HSZRJFAPSA-N 450.514 2.948 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCOC[C@H]1C 1538992112 LCRVWFZPXBNYAG-HZPDHXFCSA-N 462.392 2.895 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1539015250 YAPIWDVJYOTCJI-SBUREZEXSA-N 461.582 2.813 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCCCCC1=O 1539025447 IOYYPPYGLXJNKY-DEOSSOPVSA-N 491.684 2.893 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCC[C@H]2C)c1 1539043863 VLNOSLUKLWNZSU-DENIHFKCSA-N 477.613 2.550 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCCC2)CCOCC1 1539146100 XSOJDBRWIHFLHU-UHFFFAOYSA-N 450.587 2.862 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C(C)C)N1CCCC1 1539190328 HVIKOSFVQANKGD-RUZDIDTESA-N 463.674 2.833 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC2(CCCCC2)O1)[C@H]1CCS(=O)(=O)C1 1539205363 HEYJCJTYQQDTMK-ACRUOGEOSA-N 494.658 2.511 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539213355 YGULFFHWLUKUNF-JHJVBQTASA-N 455.403 2.977 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1539424875 XNVRIGILKFDOQJ-QHCPKHFHSA-N 476.629 2.943 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(O)CCCC2)CC1 1539434592 OQNJJKVUKAAFIH-UHFFFAOYSA-N 474.403 2.777 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCC(=O)N(C)C)CC1 1539470507 SELBZSREFSYPBZ-UHFFFAOYSA-N 462.554 2.526 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1539705041 MQUVBHPQBNSPJQ-IFXJQAMLSA-N 467.542 2.589 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1539847639 IREOYDKPISFYBC-FPOVZHCZSA-N 493.605 2.764 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1540152640 ZFZHVZFXEMUVES-BHIFYINESA-N 456.635 2.682 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1540854569 QGLCPTRIQPYXIW-UHFFFAOYSA-N 455.316 2.954 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1540855024 UOKOBZKONBVVKB-UHFFFAOYSA-N 471.587 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C)C1 1540906859 DUOHWENBZHFCOM-SFHVURJKSA-N 462.616 2.981 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 1540917104 NTPMCFLPIQQNEF-UXHICEINSA-N 477.656 2.872 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ncccc1C 1545918025 CSMBXUJFHCYZMP-UHFFFAOYSA-N 473.585 2.542 30 10 JFEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCc3ccc(C#N)cc3)n2N)c1 1559328598 GQCVWRAANDFVJW-UHFFFAOYSA-N 456.597 2.896 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588035379 SVKBVYZYJVEAGU-ZWKOTPCHSA-N 478.590 2.999 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1588041617 YQBMFLAGDVZAKY-INIZCTEOSA-N 477.377 2.717 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588046064 WMPLDYCLECZHJK-IBGZPJMESA-N 461.607 2.830 30 10 JFEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1588058972 GTQOYHZVVCKAKO-QFBILLFUSA-N 476.624 2.559 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1CN(C(=O)OC(C)(C)C)C1 1588620036 MKQUFEBIONTNBV-UHFFFAOYSA-N 455.559 2.907 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCOc2ncccc2F)CC1 1588871544 HLIXJGVRBMYFDT-UHFFFAOYSA-N 464.545 2.788 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1589207862 RGZFYFBEMXUITG-WZONZLPQSA-N 454.579 2.676 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 1589421514 PHIXUTSUXXAOKO-UHFFFAOYSA-N 470.318 2.526 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1589506206 STLJRGKYFIMRMA-KJWPAHLWSA-N 496.656 2.972 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1593600564 RJZSCEQLGIPFRA-SIKLNZKXSA-N 482.629 2.917 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1594733077 MTHPGCQMCHSJSX-CTNGQTDRSA-N 460.600 2.951 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1595211655 GMRFHNAGJRSHRB-HXUWFJFHSA-N 488.633 2.820 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1595594677 NYUYWKXXFJNUAE-LJQANCHMSA-N 467.549 2.953 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1595784118 CVRJMTNKISCQMK-UHFFFAOYSA-N 497.543 2.931 30 10 JFEE CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1603222973 CCXAUKFIQKYSLZ-FCHUYYIVSA-N 451.619 2.957 30 10 JFEE COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1611188377 HWHZTVDFSJQXEH-KRWDZBQOSA-N 458.312 2.938 30 10 JFEE COc1ccc(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(C)C)cc1 1619320374 AJVSXBPPPZOFRD-GOSISDBHSA-N 462.558 2.898 30 10 JFEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 1623735889 AQBWBKCATTVIOK-XLIONFOSSA-N 454.552 2.728 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]43)ccc2c1=O 1630472218 DCZBLLXBNYDQQZ-CRAIPNDOSA-N 456.568 2.953 30 10 JFEE C#CCCN1CCC(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1634351103 MXMMYOVQTQYCRK-UHFFFAOYSA-N 457.508 2.580 30 10 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474.650 2.871 30 10 JFEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690620053 NOELDCLDOFZGJT-HDICACEKSA-N 474.606 2.532 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@@H]1CC 1690675240 TWJWFZMSTQKMQE-VXKWHMMOSA-N 465.646 2.570 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1690677992 HIOUZHRBLIPCQE-SCWSEQNSSA-N 493.967 2.675 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1690730193 ZRTGLJPDKJIWQL-INIZCTEOSA-N 498.074 2.787 30 10 JFEE CC1(C)CCCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1692857017 IAPLDXFEYHUAGP-HSZRJFAPSA-N 474.606 2.913 30 10 JFEE Cc1nccnc1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1693389763 FBSYIDLKHYKBDE-OAHLLOKOSA-N 452.950 2.941 30 10 JFEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C 1695803715 FPPYPEWPRSPBGX-VQTJNVASSA-N 451.619 2.846 30 10 JFEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1698334812 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C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1722468795 TTXCNCZNWUAJQH-MGPUTAFESA-N 480.432 2.863 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722493117 FTXZLUNBRIAJHZ-HAGHYFMRSA-N 488.633 2.701 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722500525 SDTZHUNNTGEFGO-QFIPXVFZSA-N 452.603 2.531 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2OC)CC1 1722534927 SJGDQUPYGKTXEM-UHFFFAOYSA-N 451.575 2.602 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1722588315 PTAVODWAMUAEBN-WOJBJXKFSA-N 490.649 2.710 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)C(C)(C)C 1722632807 JBIFKPAMSPRUTO-SSEXGKCCSA-N 452.650 2.716 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COc3ccccc3O2)C1 1722708800 DFZOMQZSDZDMIB-OALUTQOASA-N 455.559 2.818 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1722726844 IXLVODDDZIHYRF-LEWJYISDSA-N 460.600 2.568 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1722737603 LZUWDLJIKPKSBY-UHFFFAOYSA-N 493.559 2.796 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C(F)(F)F)c1 1723924215 CWVFQGXDQGXRGD-ZDUSSCGKSA-N 456.494 2.695 30 10 JFEE CCN(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1728377713 FMMDIXHTXAKALO-HYBUGGRVSA-N 453.566 2.926 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[S@](=O)C(C)(C)C)c2ccccc2c1=O 1728639744 FDFVVAFQDVMXHL-KXSVPLAASA-N 469.615 2.960 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1740547503 WGUSPSCWKPTBCB-MQNRADLISA-N 460.538 2.767 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C1CCCC1 1740550987 SFSCRVJTRFCMON-AZUAARDMSA-N 460.623 2.919 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1740557167 YXMVWECTXYZBIV-GOSISDBHSA-N 462.579 2.567 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740564064 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C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690504084 XUMUPECYBATARI-INIZCTEOSA-N 470.965 2.723 30 10 JFEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1690509000 UKGJNOCOALLDDT-KRWDZBQOSA-N 461.513 2.615 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCc1nccs1 1690668911 NFQASUVGPGFINJ-UHFFFAOYSA-N 492.609 2.674 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690674382 ZAKVDXUKHBNEBY-MRXNPFEDSA-N 473.624 2.834 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1690683951 ZXJQPOVKNWJUEI-QFIPXVFZSA-N 463.586 2.858 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(C)COCCO2)C1 1690700402 RWAPOTPQOCTQBO-CJFMBICVSA-N 491.633 2.979 30 10 JFEE CN(C)CCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CC1 1696618489 GEUCNSQFPYETAB-UHFFFAOYSA-N 481.645 2.618 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1scnc1C 1696913673 HXOXHRGJHTXYHO-OAHLLOKOSA-N 453.572 2.555 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705510725 XEPFFHNGAAKMBD-FQEVSTJZSA-N 496.587 2.632 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705567046 SSQHXKMFOVCDOI-SMIHKQSGSA-N 499.681 2.882 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1sccc1Br 1705580901 PSRYPJKXXGWNDJ-UHFFFAOYSA-N 458.341 2.951 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCO[C@H](C)C1 1705591519 RFQBYTJYEMELJP-HXUWFJFHSA-N 450.543 2.817 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(Cl)ccc1OC 1705627146 WVOUBQMDLCNYAQ-UHFFFAOYSA-N 457.918 2.802 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1705650803 ZQQVHTFAEZCOPI-AREMUKBSSA-N 493.011 2.791 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705684602 WMEOVJFJSXTVSU-BYICEURKSA-N 481.416 2.854 30 10 JFEE C=CCCOCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705832724 GKPIRQWXWYIRGR-VWLOTQADSA-N 490.649 2.639 30 10 JFEE 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C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740862594 YQABOUDSILYKJK-GOSISDBHSA-N 458.513 2.826 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncnn1C(C)(C)C)C1CC1 1740908082 KGANURZIZZQBAO-UHFFFAOYSA-N 484.630 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740989010 XFLWJMIDFVYGST-FQEVSTJZSA-N 484.409 2.712 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2)C1 1740990448 VAMJDUGRKBULSM-NRFANRHFSA-N 453.568 2.827 30 10 JFEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740998703 QEVINOABVZGWCA-INIZCTEOSA-N 493.563 2.913 30 10 JFEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1746511150 CKWPWZMMBDEJOB-ZBLYBZFDSA-N 492.672 2.585 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1748668038 FDUWDIBNZBSYKP-MJGOQNOKSA-N 479.647 2.675 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1748745014 KFVKCVXOAXINBU-UHFFFAOYSA-N 482.532 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C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1690577693 LKCJWVQLIFHZDV-LJQANCHMSA-N 495.671 2.824 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1690660563 KKNOHDUMFCKDLP-OALUTQOASA-N 456.566 2.924 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1690682121 FAHHYOKHQMDBIN-UHFFFAOYSA-N 471.359 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccccc1C 1690714911 YGUCDPYKXQVVKB-FQEVSTJZSA-N 457.600 2.765 30 10 JFEE CCC(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)N(C)C 1694300950 HIPUTIIFCNBMKP-IFMALSPDSA-N 481.601 2.736 30 10 JFEE CCCN1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695393834 FWWCGFOVPZRXNE-QFIPXVFZSA-N 493.660 2.664 30 10 JFEE CCN(CC)c1ccc(Cn2c(COc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)cn1 1695624736 BANPWANOHGLPSS-HXUWFJFHSA-N 477.569 2.884 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1695979790 FYMSIOYZUFGUAP-NJYVYQBISA-N 495.584 2.912 30 10 JFEE 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JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705634131 KOKDQZXBESXBCN-UHFFFAOYSA-N 486.567 2.950 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](CC)OC)CC1 1705645132 LPFSEDJZMLGPIZ-HXUWFJFHSA-N 461.570 2.726 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCC(=C)C)CC1 1705645431 UCGATCLLVQQVLD-UHFFFAOYSA-N 473.581 2.894 30 10 JFEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705654087 XJSUZNZLKLXYPP-UXHICEINSA-N 466.611 2.659 30 10 JFEE C=C(C)Cn1c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1705729661 MFLXVYUYDAOTSX-XZDHIHRUSA-N 457.623 2.759 30 10 JFEE C=C(Cl)Cn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705760202 CLDXTIDZFWWTAG-FQEVSTJZSA-N 482.010 2.778 30 10 JFEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC(=O)N(C)C)CC1 1705780017 BSVWOMYSBRAMKE-UHFFFAOYSA-N 463.586 2.946 30 10 JFEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705817840 UIALIAVHQWUBAB-OYRHEFFESA-N 468.650 2.964 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1705827008 PTERPDOSSOAKFQ-APWZRJJASA-N 451.568 2.582 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN(CC)S(C)(=O)=O 1705842937 VQTORJHEUXQSNG-GOSISDBHSA-N 484.667 2.686 30 10 JFEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705892654 VZHKIVAZHLDOOI-UHFFFAOYSA-N 451.550 2.746 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705904864 AQKKWJWCXIGZGX-LJQANCHMSA-N 468.583 2.523 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705912213 CRDDMEMURMRDLJ-UHFFFAOYSA-N 482.610 2.719 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Br)cs2)C1 1705922215 IOTBUFDWQPWULO-DZGCQCFKSA-N 452.378 2.883 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1705946769 QIKUVVGZASEBKH-NRSPTQNISA-N 491.683 2.913 30 10 JFEE CC(C)(C)OC(=O)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CC1 1706155260 BQSNCFHFJOVHJL-RUZDIDTESA-N 479.585 2.918 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(NC(N)=O)cc1 1706997029 DMWNHNUKRQPACR-OAHLLOKOSA-N 495.613 2.824 30 10 JFEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1709453719 HKAGVQAAMJPPHN-HYBUGGRVSA-N 454.575 2.632 30 10 JFEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CCC1 1712205368 HBILSSADHLYEKL-NRFANRHFSA-N 466.586 2.898 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1722283300 RQVIGHCMJLUVQE-FUHWJXTLSA-N 465.562 2.682 30 10 JFEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1722318243 XTGDRBQYRGPOBS-UPVQGACJSA-N 477.657 2.884 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1722363444 UCEDQSSPEXLBEV-SPEDKVCISA-N 478.018 2.968 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722435397 IANZMZAVKIMRCV-NFBKMPQASA-N 451.571 2.699 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1722439588 ICYMPVVVICOGEF-QHCPKHFHSA-N 457.626 2.930 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722445290 OMMGDSVHPFNGBP-HSZRJFAPSA-N 478.641 2.576 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722506682 VEXNKDWNIOKGGW-JTJYXVOQSA-N 464.570 2.672 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722520139 VKHJGDCTHQSBIQ-NRFANRHFSA-N 480.613 2.882 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1722523946 BZKRHCZRPITMAX-SFHVURJKSA-N 463.579 2.548 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1722634034 IORHWZJIKRKGGD-OAHLLOKOSA-N 484.420 2.762 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1722663776 HXGIKPBDFOXOMO-SFHVURJKSA-N 463.585 2.506 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722684947 DVGOMONMVRUPTH-MOPGFXCFSA-N 493.612 2.619 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722686307 WWSFXYZBGDFKBQ-UHFFFAOYSA-N 496.678 2.829 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1722706164 PNMOJTAGYIDTNT-FQEVSTJZSA-N 453.568 2.885 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)COC)C1 1722711903 JEVFAFBFTLORAB-KRWDZBQOSA-N 462.620 2.692 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCc3ccccc32)nnc1[C@]1(OCC)CCOC1 1722731282 IYNPVMWILOWGFQ-OFNKIYASSA-N 460.600 2.655 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722736782 IHKPQYIACCYLRF-LJQANCHMSA-N 454.600 2.877 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1722753942 GMVIJPXXWOCODP-OFNKIYASSA-N 479.629 2.622 30 10 JFEE CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1722859659 ASQHFKWRYHOWIT-UHFFFAOYSA-N 475.582 2.621 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1723660449 GCTVBEXVMHSFLF-UHFFFAOYSA-N 487.674 2.701 30 10 JFEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1727696194 DAEJNZBQAUSPHX-DENIHFKCSA-N 465.602 2.518 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1740541736 GTSOKIBPLQRKDL-CABCVRRESA-N 478.366 2.800 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1740561154 XQMNKMIHCFNCMK-FQEVSTJZSA-N 460.582 2.810 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCn1cc([C@H]2CCOC2)cn1 1740654191 FPBNAMQYSQEJJK-QFIPXVFZSA-N 458.566 2.741 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cc(OC)ccc21 1740655604 DKIPXANFCIGSMQ-RTWAWAEBSA-N 466.607 2.772 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740674290 BEAJOYMYDUCLON-HXUWFJFHSA-N 471.565 2.857 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(OC)C2CC2)CC1 1740703244 KTTMDPXLXKUAJU-SANMLTNESA-N 481.597 2.743 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740848672 OFCBOSLWVXFMMJ-MOPGFXCFSA-N 453.653 2.882 30 10 JFEE C=CCn1c(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1740950070 KPHGYILNMSFVPP-DEOSSOPVSA-N 457.550 2.788 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740951786 NSTZGUMACILSBS-RTWAWAEBSA-N 480.613 2.928 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740952810 ODTZOQALYWTKHX-OAQYLSRUSA-N 452.603 2.817 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)nnc1[C@]1(OCC)CCOC1 1740966099 VXRBSJICAAFPHQ-NVQXNPDNSA-N 478.597 2.563 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1740975809 XYJSGYWGPOHJNV-YADHBBJMSA-N 470.574 2.991 30 10 JFEE Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCO[C@H](C#N)C2)cn1 1742230108 BRXHVUGXPWKAPW-HXUWFJFHSA-N 467.574 2.873 30 10 JFEE Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1742875320 HDUNYDBBTPPYFC-UHFFFAOYSA-N 454.556 2.883 30 10 JFEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1748068649 GYMHGMAYEXLNDR-GOSISDBHSA-N 477.573 2.735 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1748758956 ADMDUKWSJMYWRG-UHFFFAOYSA-N 494.596 2.713 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(C)CN(C)C1=O 1748949691 IKCZWNUMATXLTP-SANMLTNESA-N 460.582 2.917 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)C(=O)NCC)CC1 1748987435 XRFCZGIFGBILQB-UHFFFAOYSA-N 461.570 2.518 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1749003779 VSGIDXLFSSWZRB-QFIPXVFZSA-N 493.612 2.940 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCN(CC)C2)CC1 1749006446 NUNGQVRLGGUJIJ-HXUWFJFHSA-N 494.640 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1749008905 CRTSEIIOSXNJQR-UYAOXDASSA-N 469.561 2.745 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1749119957 YZLHNIHIDBPHGH-CTNGQTDRSA-N 475.553 2.642 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749231808 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490.626 2.913 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286686834 CWXFYIKBGSEBQO-MOPGFXCFSA-N 451.637 2.525 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286821273 GDBDZRCJNKOXES-PMACEKPBSA-N 466.554 2.896 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286825225 HOAQHXKGSDCGHX-AWEZNQCLSA-N 474.450 2.968 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)C1 1296425340 DKKPIDPUQMIYHV-UNMCSNQZSA-N 481.601 2.784 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(Cl)ccc2OC(F)F)CCOC1 1296662623 FERXMPNNJCHPKD-KKSFZXQISA-N 483.903 2.962 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1300267846 LOMFCVIAFPVCHT-LEWJYISDSA-N 451.619 2.631 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(N(C)C)nc1 1300277323 ZMSMXOPUUGNUCX-INIZCTEOSA-N 450.543 2.938 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1300496062 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469.977 2.619 30 10 JFEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](c3ccsc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1508097294 HHHQNTAQFFEZKN-LTMIRXACSA-N 475.615 2.649 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3c(F)cc(F)cc3[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1508097813 KZCQQETXEYBKEW-NPMXOYFQSA-N 461.513 2.634 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)C[C@@H](C)C2)cc1 1508101026 SLOMCFFYMJVGKM-XQBPLPMBSA-N 489.642 2.706 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Cl)ccc1OC 1508140661 PFCGQFULRVLRMH-UHFFFAOYSA-N 464.979 2.578 30 10 JFEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCN(C(C)C)C1 1508999989 DNIOGIWVJKMJLN-UXHICEINSA-N 451.623 2.899 30 10 JFEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1509504232 ARRHHKRJBXZFDA-UHFFFAOYSA-N 479.629 2.655 30 10 JFEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1509562180 CZXUNAAPOUBGSO-UHFFFAOYSA-N 486.642 2.617 30 10 JFEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(-n3nc(C)cc3C)nc2)CCOC1 1516128490 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C#CCN(c1nnc(-c2ccccc2F)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1689986331 NIHJJBHXSBFAEX-SFHVURJKSA-N 460.575 2.918 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNc1ncc(Cl)cc1Cl 1690003782 YEOGWMNYEXZNNI-NRFANRHFSA-N 463.369 2.817 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)N(C)C)c1 1690083009 WUSSYQIMRORJIK-UHFFFAOYSA-N 464.595 2.674 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690134747 DEPLICZBHLROCL-WOJBJXKFSA-N 455.628 2.885 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2CCCO[C@H](C)C2)CC1 1690134831 HMGXMZRTDPYYBO-JOCHJYFZSA-N 498.697 2.835 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCC2)CC1 1690138331 YUBMEGBPOPZMQG-UHFFFAOYSA-N 472.540 2.608 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1690177357 SCBQBYWQDVBLFR-UHFFFAOYSA-N 457.554 2.574 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690178746 FLTSRPZFZFOKTL-UHFFFAOYSA-N 461.570 2.968 30 10 JFEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690316676 JGXIAVZUNNAQEQ-DHLKQENFSA-N 480.657 2.645 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690422559 SIRPKZYEDSDALP-ZDUSSCGKSA-N 493.431 2.518 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 1690444119 BBBKMGGLYKKLNO-MPJJRAAHSA-N 489.642 2.585 30 10 JFEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690508673 MYMGOBQKDBARIM-UNMCSNQZSA-N 460.667 2.838 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690666882 JIYLVFSFNVHEKU-USXIJHARSA-N 460.376 2.729 30 10 JFEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1690750365 HROBCYFGONAAOI-UHFFFAOYSA-N 454.643 2.733 30 10 JFEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CCO1 1690957412 GHPTVDYSUKJKRG-DNVJHFABSA-N 480.613 2.999 30 10 JFEE COC1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1697637968 DUEMOUOXHKJKBN-UHFFFAOYSA-N 466.586 2.707 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705559751 FRZVMKZJXATZLD-LJQANCHMSA-N 484.601 2.884 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705568503 OSMCPJHSJJUQIS-NRFANRHFSA-N 486.638 2.917 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1705628105 XTAPKYNTTXWANE-BJKOFHAPSA-N 467.614 2.640 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCCC(C)C)CC1 1705633904 BIFSUFRVKNLIDH-UHFFFAOYSA-N 463.424 2.864 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705663146 XSFUESAVRGPDDI-UHFFFAOYSA-N 450.543 2.623 30 10 JFEE C#CCSCCn1c(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1705665526 WKZSAZCMWCHCKJ-NLFFAJNJSA-N 498.653 2.855 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705696772 QJAYKIVTGBIMFA-LQWHRVPQSA-N 476.599 2.567 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705725162 MMAXWLQRTSFBPL-QGZVFWFLSA-N 469.590 2.625 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 1705729834 AIDOGGRWGNWUHZ-OAHLLOKOSA-N 453.996 2.697 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705760167 BTQKWTNMYFPKGM-ZSDSOXJFSA-N 450.971 2.518 30 10 JFEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1705808172 CAJDVUIFCPINOQ-JOCHJYFZSA-N 465.646 2.666 30 10 JFEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705893218 STHQGIQXIBRKNP-OAQYLSRUSA-N 482.629 2.965 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1705895420 GUXVLBCHAWRZGI-UHFFFAOYSA-N 456.978 2.882 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705897944 XRGOSXFWKSPOIF-LPHOPBHVSA-N 499.547 2.944 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705902749 MMIFEHBCCTZUFY-HXUWFJFHSA-N 452.603 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705932339 BVEJEIIEVXDVKW-FQEVSTJZSA-N 496.637 2.835 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1C 1705934176 DCSYPQLLONQHIL-UHFFFAOYSA-N 457.556 2.551 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705977851 OGFOXAOZJHYKOI-UHFFFAOYSA-N 484.486 2.927 30 10 JFEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1710122596 AFKRETSARDCOES-JOCHJYFZSA-N 468.602 2.845 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC(=O)N2CCCCC2)c1 1722307133 JPPCMDFQDOUIAN-UHFFFAOYSA-N 485.592 2.723 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[C@H]2CCO[C@H](C)C2)c1 1722310378 VETAWBAZCLKYLU-QUCCMNQESA-N 459.554 2.997 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722352463 RAOTWEFTVOJYAZ-NJDAHSKKSA-N 474.650 2.961 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1722359715 VVVZXLULLPIGPU-HXUWFJFHSA-N 489.667 2.917 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722361989 LPAQDPNCPKDFQB-LJQANCHMSA-N 473.618 2.833 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1722362753 ONLDHROBNZZHCQ-MRXNPFEDSA-N 481.416 2.999 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1722368379 QUACMKGVLHKQBR-QHCPKHFHSA-N 492.649 2.775 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)n2)CC1 1722432107 VYNBZZPUOAURKZ-OAQYLSRUSA-N 462.602 2.551 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1722445775 CEQZGSDSXKHRHG-NRFANRHFSA-N 479.972 2.742 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1722448096 RMKVDQIEVCJXQF-FGZHOGPDSA-N 451.571 2.526 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722481502 BAFKVEIOIUEFFI-HNNXBMFYSA-N 450.385 2.718 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722530034 KZMFMJVIQZEYGH-UUOWRZLLSA-N 458.559 2.939 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1722564973 VCRKQIAEMSOSKC-OAQYLSRUSA-N 468.602 2.507 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722683277 KGEBHGYVDAYEDN-QGZVFWFLSA-N 464.339 2.860 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722696991 GHSLICQBFPMVGY-HDICACEKSA-N 463.586 2.850 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(C)C 1722727891 MERQUDUHZKDVNJ-SFHVURJKSA-N 485.651 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1722728732 YJQXIQMRWPOFSS-UHFFFAOYSA-N 484.626 2.665 30 10 JFEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722730718 AVAMAJDFVZATMJ-UHFFFAOYSA-N 461.570 2.835 30 10 JFEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722735840 SFUMBFFQNDHHIM-UHFFFAOYSA-N 463.611 2.993 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722738103 BCWFLAJFJSBSRL-IBGZPJMESA-N 457.600 2.759 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccsc1Br 1723923785 BEXCZXTYJZNUGW-NSHDSACASA-N 473.422 2.501 30 10 JFEE CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CCO1 1724030389 DDXIWDJPEJROML-UHFFFAOYSA-N 463.586 2.970 30 10 JFEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)OC 1730467773 HILOWBZTYMOFLM-VDGAXYAQSA-N 470.574 2.828 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740547280 RHRFFDYIDFSONC-IPMKNSEASA-N 477.613 2.538 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2nnc(CC)s2)c1 1740562084 GFKSINHWAPZXKM-KRWDZBQOSA-N 465.583 2.691 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740619511 JLBUUCNSPPWUEQ-MRXNPFEDSA-N 488.017 2.620 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740625548 RCUMYKNXZXFWGS-QZTJIDSGSA-N 489.667 2.723 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740625771 PJZDJNQJVUBJBT-UWJYYQICSA-N 497.621 2.913 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740628529 RFCTXNREGIQOLI-AQNXPRMDSA-N 490.601 2.828 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCOc3ccccc32)CC1 1740690249 QNLYIZPNEWJYAV-FQEVSTJZSA-N 464.614 2.908 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1740691834 ADWGCPNSALMEBU-XFAFFCHDSA-N 486.705 2.832 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OC)CC1 1740711925 TWQUGKNDAGLJDQ-UHFFFAOYSA-N 451.499 2.801 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OCC)C1 1740715458 JSXIWDKOEBIFCK-KRWDZBQOSA-N 462.645 2.610 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCN/C(O)=C1/N=CC=CC1=O 1740735366 NLZKHGDANXJYMR-UDNALAFJSA-N 490.564 2.774 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(=O)NC)CC1 1740870629 IYXMDDAGYVJYGL-UHFFFAOYSA-N 473.647 2.865 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1740934735 PFFOYERRWQFSPL-FQEVSTJZSA-N 473.643 2.720 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)C2CCCCC2)C1 1740984306 ZQNBTYOPBMVNDP-NRFANRHFSA-N 455.607 2.712 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740989839 YXIHRFXLZPZPMT-KKSFZXQISA-N 466.991 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1740993457 BFHFHPLMSACMTM-SFHVURJKSA-N 492.005 2.544 30 10 JFEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)C1 1748190053 HWBCAQKVMNDOKE-QUCCMNQESA-N 454.600 2.977 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)c1 1748587893 HWBDJAYQWRMIFK-JGVYIQDASA-N 496.431 2.992 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1748734965 LIHFCJRVIYGNGS-UHFFFAOYSA-N 463.542 2.501 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1748760315 ZTBUPAZBFCLMAF-QGZVFWFLSA-N 451.552 2.959 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748808802 NRKLIUIWGJFLJH-JRGCBEDISA-N 458.584 2.806 30 10 JFEE 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C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359117587 ILKGXOYENZPBHV-IBGZPJMESA-N 456.566 2.878 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccn2)CC1 1359128307 POPRYSZBDVYHCJ-UHFFFAOYSA-N 450.503 2.563 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](n2cncn2)C1 1359130109 YLTFNDCELLMJHW-SFHVURJKSA-N 453.547 2.988 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C)C1CC1 1359251366 JVFMNJPHTYCJNB-MRXNPFEDSA-N 453.609 2.640 30 10 JFEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359283259 FYHDTIXVSDOBKS-NHCUHLMSSA-N 489.642 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1359330252 MASDFOCIRICZAK-MRXNPFEDSA-N 495.531 2.998 30 10 JFEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1359341504 YUQWGPPFCMEFIR-UHFFFAOYSA-N 455.563 2.699 30 10 JFEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1360568537 DBOUBAMRVMGVMX-NQIIRXRSSA-N 472.615 2.545 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 1445522448 HBAUYQWEQBKZBL-VWNXMTODSA-N 451.592 2.725 30 10 JFEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccsc2Br)[C@H](C#N)C1 1475056780 CDELFTXEKOVYKC-GFCCVEGCSA-N 450.380 2.785 30 10 JFEE CCc1cnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)s1 1498149122 IDHRNKDLKIVOIH-MRXNPFEDSA-N 465.583 2.657 30 10 JFEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507565664 DMXIKKVDEHKXDP-UHFFFAOYSA-N 473.581 2.502 30 10 JFEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507593472 POYVWDFNWXQKRP-JOCHJYFZSA-N 464.570 2.654 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)c3ccccc3OCC)CC2)nnc1[C@]1(OCC)CCOC1 1507599627 SDOFQTHGJMDHQT-SANMLTNESA-N 481.597 2.705 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1507629071 JJYYMLWXTSMNOD-ZDUSSCGKSA-N 489.342 2.568 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCC2(C1)OCCO2 1507655746 NWQSQPBFZDCNTM-HXUWFJFHSA-N 450.539 2.872 30 10 JFEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1507699138 BWMWRZJHGWHECD-KDURUIRLSA-N 487.626 2.960 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)NC1CCCCC1 1507710276 FBLNAOXNBHTRRZ-JOCHJYFZSA-N 467.570 2.716 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(CC)cc2)CC1 1507736917 VDZMLSSPWAVLFY-HHHXNRCGSA-N 479.625 2.701 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507746868 GDWPFMKNWYPLOG-UHFFFAOYSA-N 497.600 2.975 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1508109439 RRFRCFFQDILBRZ-UQBPGWFLSA-N 469.586 2.599 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccs2)C1 1508110651 ULNUUTGGBYXKCS-HOTGVXAUSA-N 453.634 2.709 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508130153 VCADQTQWIPXNIJ-AZUAARDMSA-N 460.600 2.636 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1508144752 UDIHPHOJCJCZBW-IBGZPJMESA-N 472.590 2.726 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)CC1 1508272935 BAOCIQXRENMNDF-UHFFFAOYSA-N 455.994 2.893 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)C1 1508345605 BTOAUPHSZXSRQT-FQEVSTJZSA-N 458.570 2.679 30 10 JFEE Cc1nc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CC2)cs1 1511575745 BZSZZNUDJLBFAV-KRWDZBQOSA-N 450.616 2.854 30 10 JFEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1524140830 BZVLFTCAEFQOFL-IEBWSBKVSA-N 458.559 2.738 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3N(C)C3CCN(C)CC3)cc2C1=O 1528655417 UZFBHCVJGHTYBC-GOTSBHOMSA-N 452.599 2.878 30 10 JFEE C=CCCC1(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 1532340889 UTFQJRZBMOTCKL-UHFFFAOYSA-N 450.601 2.901 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1538963469 CTJOBHBPGCQXFR-NBGIEHNGSA-N 482.654 2.813 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1539003913 RDZAYJWXDYDVCQ-INIZCTEOSA-N 451.600 2.879 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(N2CCCC2)CCOCC1 1539031688 NEUZSJZKXITSNL-FQEVSTJZSA-N 453.587 2.969 30 10 JFEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539124854 STHBAQYLKDGYFT-UHFFFAOYSA-N 457.022 2.926 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ccc(F)c(F)c1 1539176877 UFUAFYPYDWBZDL-UHFFFAOYSA-N 453.497 2.879 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539210797 DYJCWFQWNUTTKX-FQEVSTJZSA-N 462.019 2.711 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539231674 WSKVHNHBKCIDGF-HXUWFJFHSA-N 490.601 2.708 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCN1S(C)(=O)=O 1539305282 VQPNFZCASSWVRY-LJQANCHMSA-N 451.552 2.578 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC=CCO2)CC1 1539474549 SRHMGGODQLWTDA-OAQYLSRUSA-N 479.581 2.663 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCCN2CC)CC1 1539475391 DOXWCMABMJBNKU-OAQYLSRUSA-N 464.614 2.794 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1539484432 OWCPIUCHWXWTSU-JOCHJYFZSA-N 477.638 2.594 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)C(C)C)CC1 1539507485 XNVRIECQCDSFJL-UHFFFAOYSA-N 455.584 2.781 30 10 JFEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539510197 GEHZAWSJYYWQHU-RBUKOAKNSA-N 496.637 2.842 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1539520475 RMHBCDRXNWXWCA-UHFFFAOYSA-N 466.636 2.963 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1539576746 ADFAKABDLFXNHJ-UHFFFAOYSA-N 472.347 2.708 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCn2nc(C)nc2C1 1539736446 YGMRUDKBOIQYNM-UHFFFAOYSA-N 453.547 2.865 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CCC)C1 1539744202 FEIAKWWLCMEEKW-GOSISDBHSA-N 452.559 2.790 30 10 JFEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1539769786 BNGAZJPKPRIDHU-UHFFFAOYSA-N 466.611 2.751 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1540005647 MYRRYQMMSPUSHN-HKUYNNGSSA-N 494.687 2.980 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540879861 QIDTUGRZICKOJJ-FXAWDEMLSA-N 485.614 2.576 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)Cc2ccccc2)C1 1540888263 MOYTVIAUHSPCMP-HXUWFJFHSA-N 453.568 2.736 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(Br)cn2)C1 1540890415 DVGWHSFKJXBLIZ-NVXWUHKLSA-N 451.369 2.613 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cccc(Cl)c2)C1 1540895789 ZQHMFAPTETUTDP-CVDCTZTESA-N 459.978 2.743 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1540903176 ZWAXRUWZJNVKDK-UHFFFAOYSA-N 485.654 2.736 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCSC(C)C)C[C@@H]2C)CC1 1541003224 YWOKYCUTNSSRGO-CVDCTZTESA-N 481.670 2.947 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1541984864 DWOLRGLOBMZJEY-PNLZDCPESA-N 460.579 2.723 30 10 JFEE CCCc1nc(C)c(Cn2c(COCC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)o1 1546941247 DGOPDHMZOCGLNZ-UHFFFAOYSA-N 450.547 2.705 30 10 JFEE CN(C)CCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)CC1 1552866931 HXKCQQVEMGGVRK-UHFFFAOYSA-N 476.629 2.742 30 10 JFEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCCC2)CCO1 1555404049 CRXZLSLXJXDLRC-OAQYLSRUSA-N 455.559 2.666 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)cc1 1587615300 UEWDCWDPARRXAP-MRXNPFEDSA-N 465.583 2.703 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@@H]2OC)c1 1587697025 HVWLQATWAQYITI-RDCABSMISA-N 481.597 2.873 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1587718909 QCIBYGNKFWGTPJ-FDDCHVKYSA-N 458.584 2.536 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1587817818 HPPOKBXJBRJAAI-UHFFFAOYSA-N 450.543 2.994 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1587832117 ZIKXAAPHBYAQMS-MRXNPFEDSA-N 473.375 2.686 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1587847538 MWMVBQJOAZXUAJ-UHFFFAOYSA-N 475.597 2.831 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1588060052 YMTHTXHPYNYFBX-IBGZPJMESA-N 460.600 2.559 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCC(C)(C)C1 1588200032 ABXXZADGHZPTCA-UHFFFAOYSA-N 457.586 2.506 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCc1nnc(C)s1 1588647781 YNTPNDLBPVJESL-IBGZPJMESA-N 454.556 2.669 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)CC1 1588751120 IRZLURHWBWATJY-AABGKKOBSA-N 453.587 2.690 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1588907744 FKEFRZGKGIMVCJ-FYYLOGMGSA-N 465.598 2.981 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1589007685 OOCIWMXVYVUXOR-HYBUGGRVSA-N 491.665 2.562 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1589078662 VURLVHOSGBLYOJ-UHFFFAOYSA-N 489.592 2.589 30 10 JFEE C#CCSCCn1c(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 1589125267 ISGQBZKYLGIPSG-XDNAFOTISA-N 499.703 2.673 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)c1ccccc1 1589142354 HIYDWAWVRPJEKA-HSZRJFAPSA-N 457.600 2.663 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1593763483 LVWVMYLDOMGOLM-SFHVURJKSA-N 460.966 2.659 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1CC1(O)CCS(=O)(=O)CC1 1595075251 BPIFXRKLOOVGDN-GOSISDBHSA-N 462.616 2.933 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1595577044 HHJPRYHLDXLSJB-IAGOWNOFSA-N 490.402 2.785 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1595713498 AGUMUGVHKTXFQG-DLBZAZTESA-N 451.449 2.957 30 10 JFEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 1612419162 FVQGKAVEJRVBFK-UHFFFAOYSA-N 463.546 2.543 30 10 JFEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccs2)CC1 1619878128 BLPFILNPPSXSOI-UHFFFAOYSA-N 466.615 2.568 30 10 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C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1690508387 HSKSLBYSULXBMS-FPOVZHCZSA-N 459.616 2.854 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1690643751 SGVSJCUQBXMMPR-UHFFFAOYSA-N 478.523 2.533 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690662240 WCRXQCNWZXNKJD-KXNSMUHISA-N 477.512 2.621 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2F)CC1 1690665415 CCSMXJBRVJHUHZ-UHFFFAOYSA-N 455.925 2.761 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccsc1 1690672329 OWGWBFALNWIPIN-KRWDZBQOSA-N 476.603 2.587 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690675682 BSPYDDPYOMHOQZ-LJQANCHMSA-N 484.601 2.913 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNC(=O)C(C)(C)C)C1 1690696672 HGRIQQHHVDCICZ-SFHVURJKSA-N 493.612 2.619 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC(F)F)C1 1690699616 HEZVAZRUCIHLIK-ROUUACIJSA-N 482.553 2.806 30 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C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1705668609 PUNBQDNTWORHID-VBKZILBWSA-N 460.585 2.645 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705689075 DPEDVDCRXWHMTL-UHFFFAOYSA-N 485.390 2.688 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705805732 NJSJCCOBFHRQCS-ROUUACIJSA-N 476.578 2.584 30 10 JFEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705819975 YEEHBDZZPVBDBQ-RXVVDRJESA-N 475.615 2.865 30 10 JFEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1705858054 GBVXOOCQKVCJQJ-LJQANCHMSA-N 467.540 2.948 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@H]1CCS(=O)(=O)C1 1705860210 ORHSCMGKPODXQM-FQEVSTJZSA-N 450.568 2.783 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705908003 FHBABTBHQYINEE-HUUCEWRRSA-N 453.465 2.803 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(Oc2ncccc2F)CC1 1705930292 KHPWZNWBBWJNBB-INIZCTEOSA-N 451.568 2.974 30 10 JFEE 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30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC(F)(F)Br)n1 1722428114 RIBXBGFQDAZCIX-UHFFFAOYSA-N 480.317 2.811 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1722446054 LHCRIJWCFHKUEE-UHFFFAOYSA-N 475.597 2.631 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCCC2=O)CC1 1722461365 FFDGUIRIPJQNCF-UHFFFAOYSA-N 486.667 2.617 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@](C)(O)CCOC 1722468827 UKCMFVZOIJZKFE-RPWUZVMVSA-N 458.559 2.751 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC2CC2)CC1 1722573500 ZXUPNFKWBHLDKR-UHFFFAOYSA-N 456.978 2.790 30 10 JFEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722597598 OSADYAZWFLEHJQ-UHFFFAOYSA-N 477.617 2.934 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722619583 ANCJBECVRPSQQR-MRXNPFEDSA-N 467.496 2.591 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722700043 UJCAVZFFICTYRN-GOSISDBHSA-N 470.593 2.687 30 10 JFEE 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C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286540817 SLQGMYRYKDKHBX-QFIPXVFZSA-N 487.402 2.900 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CCC1 1286567836 XVYMGDWZRLBJNJ-WJOKGBTCSA-N 479.672 2.899 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286668034 OWUNTPQMESRLGM-DLBZAZTESA-N 484.667 2.936 30 10 JFEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286686012 ZZEPTWNWRDCCIV-INIZCTEOSA-N 485.452 2.920 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286693564 UMQPPCWTGZLKHA-HXUWFJFHSA-N 479.629 2.903 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1286787115 OMXNUUJKGIYABO-QGZVFWFLSA-N 463.586 2.850 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)C1 1286809673 KMSQLGHBOKWUBZ-IEGUWTFLSA-N 465.595 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1nncn1C 1286815596 XMKTXRPFCOSROE-QGZVFWFLSA-N 461.979 2.669 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H]1CCCO1 1286817696 XRUSGTNIHQRCGL-MRXNPFEDSA-N 499.431 2.932 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCCC2)C1 1287048975 HIVOFWYDYAMZPG-MZNJEOGPSA-N 489.596 2.880 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(C)nn(C)c2C)cc1OC 1294939862 FJDYZIFLDZPXFZ-LJQANCHMSA-N 465.558 2.870 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(Cc2ccccc2)CC1 1300520202 IFQBOIUMGBBGPP-UHFFFAOYSA-N 474.012 2.884 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300548872 RGZFVXBMWAGNFH-GOTSBHOMSA-N 489.599 2.893 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Sc2ccccc2)CC1 1300685092 GAQQFJKZWFBCKU-RDPSFJRHSA-N 455.628 2.866 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCn2cc(Br)cn2)CC1 1300701436 SWFGDKRLJDFDRC-UHFFFAOYSA-N 488.821 2.937 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCCn2cc(Br)cn2)CC1 1300711586 DELXSQLJSPAVLC-UHFFFAOYSA-N 490.450 2.981 30 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2.723 30 10 JFEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(=O)n1C 1304349117 IELRTVVOAKXKLG-OAQYLSRUSA-N 489.580 2.976 30 10 JFEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC(NC(=O)OC(C)(C)C)C1 1307773265 FDBGSVDSIUYFRU-XVAXZDLZSA-N 459.566 2.522 30 10 JFEE CC(=O)N1CCN(c2cccc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c2)CC1 1310564829 GXTQDUFTYPFZMX-UHFFFAOYSA-N 450.518 2.720 30 10 JFEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C[C@H]1C 1313941624 DQBRTWHRFWBVBZ-VSKRKVRLSA-N 481.645 2.758 30 10 JFEE CCS(=O)(=O)NCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@](F)(C#N)C1 1314554169 FMMCBGSZJQWUEJ-XOBRGWDASA-N 466.608 2.513 30 10 JFEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(=O)C(C)C)CC2)c(OC)n1 1315487638 CHXLBXKVWOQGFW-UHFFFAOYSA-N 489.580 2.972 30 10 JFEE CCc1nsc(N2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)n1 1354391994 FUWLFYQFMOBIFR-OAHLLOKOSA-N 458.975 2.717 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1358928824 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465.583 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC=CCC1 1508140278 HMUUARQDVJHAJN-UHFFFAOYSA-N 465.620 2.760 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1CCCO 1510248072 CYWWEAZGGXILMH-GEQKSPFYSA-N 460.529 2.846 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(Br)c2OC)c1 1518826022 LEDBLQQOYBAPAP-UHFFFAOYSA-N 457.324 2.945 30 10 JFEE COCCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O 1519164204 HMUVMMWSBIFHOU-UHFFFAOYSA-N 454.962 2.944 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1539026017 PYRHRFJRCSGJDA-XUZZJYLKSA-N 461.614 2.980 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539211244 JPZMWFLJDQYZOL-JOCHJYFZSA-N 490.589 2.674 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(COC)CCC1 1539259738 HCFUINBZVPONEV-UHFFFAOYSA-N 458.566 2.955 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(S(C)(=O)=O)CC1 1539301060 KFLPQFCDLVIBHY-UHFFFAOYSA-N 461.385 2.748 30 10 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C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C1 1540883542 BFYNARZLEYXMLM-GHTZIAJQSA-N 473.549 2.587 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540897697 PQKIWVBTGZFZKH-CMKODMSKSA-N 477.606 2.831 30 10 JFEE C=CCN(C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCS(=O)(=O)C1 1542216898 HJAPQOHPLSAIJN-NSHDSACASA-N 459.749 2.759 30 10 JFEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)cn1 1555570750 HIRMVMLXXIGNDN-ROUUACIJSA-N 467.599 2.950 30 10 JFEE C#CCn1ccc(CN(CC)S(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1561531730 PPCRVRUNDKXDGC-NRFANRHFSA-N 458.584 2.717 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)n1 1564820189 YGWAGIRPVBPSSK-AVRDEDQJSA-N 455.534 2.566 30 10 JFEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1569485946 KXPSTWBEGUXXAZ-OALUTQOASA-N 450.919 2.503 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(CC)s1 1587641189 YLHTVYMYODJPLA-GJZGRUSLSA-N 461.592 2.507 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1587718910 QCIBYGNKFWGTPJ-JPYJTQIMSA-N 458.584 2.536 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588053355 CYZPNUDTEFQOQU-KSEOMHKRSA-N 456.612 2.993 30 10 JFEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588053778 IAMUIRYEWDXAIQ-HXUWFJFHSA-N 491.658 2.819 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588059484 OVUCZYYSFQXLEW-GOSISDBHSA-N 454.600 2.543 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588059565 QIGMZMJBNLARRD-YPAWHYETSA-N 463.692 2.861 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1OCCC1(C)C 1588574600 NVIVOKBQZJBMFH-IBGZPJMESA-N 459.978 2.763 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1589577659 DGNOGANTUWEKMD-UWVAXJGDSA-N 474.524 2.805 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1589658276 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C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1 1622886575 KWAXXRLEQBYZHZ-PZJWPPBQSA-N 478.521 2.865 30 10 JFEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 1623169027 IKPCFKCAOGOHMD-LJQANCHMSA-N 455.486 2.833 30 10 JFEE C=CCOc1cccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1625564292 PSVCFDYZHGDSEJ-AYOQOUSVSA-N 450.557 2.860 30 10 JFEE N#Cc1c(F)cccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1628324465 GLEBPQQQRVNMKG-UHFFFAOYSA-N 458.334 2.668 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1649619036 HMVILDPTTXDGMV-QGZVFWFLSA-N 455.950 2.604 30 10 JFEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 1654039368 IAEJOYPLDUEZSC-IBGZPJMESA-N 456.344 2.980 30 10 JFEE N#Cc1ccc(S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)OCc2ccccc2)cn1 1664677585 AKRPGRBMZJBYEP-QFIPXVFZSA-N 451.504 2.560 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)C1 1681433137 CKFKVTYIGALSMN-DBVUQKKJSA-N 453.543 2.903 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 1685625833 DDNFKRAPDQTPMD-HXUWFJFHSA-N 453.008 2.756 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1689824734 WFVQHYAGYVOAIJ-IRLDBZIGSA-N 452.603 2.962 30 10 JFEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1689925944 DSXOXKKYTKYHGU-RTBURBONSA-N 482.585 2.812 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1689947267 CWLLEGBVPXNHLJ-DEOSSOPVSA-N 459.591 2.955 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1689999836 JKJGVAXFNMQWEV-QFIPXVFZSA-N 483.576 2.844 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(OC)nc2ccccc12 1690003249 IPMYVFCGOGBUKD-SANMLTNESA-N 459.550 2.997 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cn(C)nc1-c1ccccc1 1690025166 HHHJAYSDMWHYIL-UHFFFAOYSA-N 469.574 2.791 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1nc(C)cc1C 1690048504 JWZPVHLDKXLCIY-QFIPXVFZSA-N 495.628 2.953 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(NC(C)=O)nc1 1690095106 DYRLLAWPBDZKFU-UHFFFAOYSA-N 470.537 2.823 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1690132184 KCPLUWAFZYJHAL-UHFFFAOYSA-N 473.503 2.842 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2cccc(C)n2)CC1 1690148746 RYEWSOACZRYQGI-UHFFFAOYSA-N 460.557 2.920 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCS(C)(=O)=O 1690287701 PZKITESXPHLHBN-QGZVFWFLSA-N 455.625 2.840 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690305699 GDYBYCAUILWBSK-INIZCTEOSA-N 491.390 2.523 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690316743 LBKFPXAPOMBOMH-UHFFFAOYSA-N 452.584 2.881 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690405094 ZYPDICQSVJECLK-OAQYLSRUSA-N 466.991 2.559 30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)C1CC1 1690545015 HWGFGKOZEACITP-PXNSSMCTSA-N 471.627 2.912 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1690572146 UZJWXESGZOAFOY-FQEVSTJZSA-N 495.621 2.758 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690578994 CPKSYVJHZLAEAI-SFHVURJKSA-N 472.640 2.800 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1690609210 HSNGLRXTEJIMBO-QZTJIDSGSA-N 493.630 2.922 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1690733276 AFLJZPWEFHZJBS-HOTGVXAUSA-N 470.690 2.956 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@H]2C(=C)C)c1 1705504786 DUBABJGQBMWZDU-CVDCTZTESA-N 457.538 2.773 30 10 JFEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705513254 GDNOPCXTYCOBTP-INIZCTEOSA-N 480.432 2.981 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705531892 ACIDQJBIZIGGKJ-GUDVDZBRSA-N 456.591 2.521 30 10 JFEE C#CCCCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705539361 PHWSIFDXUUCKAA-URXFXBBRSA-N 493.674 2.563 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1705560327 FWXCOXLPOLFONO-INIZCTEOSA-N 494.440 2.783 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705562429 BVYAUQPRFHZYIA-KRWDZBQOSA-N 458.515 2.669 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705563059 PWVQHZAMKQLESU-LEWJYISDSA-N 456.612 2.949 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705565917 KRAPIMCZUCEGDE-ICSRJNTNSA-N 460.625 2.939 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705569439 CUZJDGRGCRWIPC-LJQANCHMSA-N 458.584 2.939 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705571553 AUILNAAAORQMIW-YUMYIRISSA-N 477.675 2.514 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1705573960 RDPFMHLJJGTJJI-REWPJTCUSA-N 453.562 2.987 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)Oc1ccccc1OC 1705595774 GARNSJLUECEGFQ-SFHVURJKSA-N 461.522 2.945 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCC1 1705597627 LXHRYDZYIXJXFO-NRFANRHFSA-N 470.618 2.535 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)SC 1705628764 OKJJDCUDKOAECB-QGZVFWFLSA-N 467.636 2.814 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCCCS(C)(=O)=O)CC1 1705637122 KFTDVWIGJUBBCP-UHFFFAOYSA-N 494.459 2.678 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2n[nH]c(C)n2)CC1 1705643020 QAIQWAIUWGWXPQ-UHFFFAOYSA-N 475.384 2.588 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCCO[C@H](C)C2)CC1 1705649308 SJEHLUPPLQIVRM-HXUWFJFHSA-N 482.604 2.551 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC(C)C)CC1 1705652592 FWYJRFCGXIAVSG-NHCUHLMSSA-N 459.635 2.978 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1c[nH]nc1C 1705669944 BWFXJBQVJHHSKV-XMMPIXPASA-N 481.626 2.852 30 10 JFEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705727513 JNWKYXPAVOJDQY-UHFFFAOYSA-N 458.582 2.953 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705827616 LTKBARKXBNQKBQ-MRXNPFEDSA-N 491.390 2.523 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705899428 SEILWNDUDKNHAU-GOSISDBHSA-N 463.542 2.510 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1705920566 AEGJPWKEEADQMK-OALUTQOASA-N 451.493 2.990 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1706069376 BLFKJMFTMQMDEQ-KRWDZBQOSA-N 450.522 2.677 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1722277526 LZBLLHLMXNHGQT-PXXMEWNWSA-N 452.490 2.542 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1722370368 BSJSDYXHKXXPCT-QFIPXVFZSA-N 461.676 2.615 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCN(C(C)C)CC1 1722405878 IKKHFEHLEYTQSR-UHFFFAOYSA-N 471.602 2.666 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)CC=C)CC1 1722433124 LWQVMWSEJMSJRI-UHFFFAOYSA-N 469.659 2.904 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)N(C)C)CC1 1722443270 QHFKJBXHEZMOHS-OAHLLOKOSA-N 491.409 2.763 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722466535 YMLPAEPNIMNIGJ-NBGIEHNGSA-N 464.570 2.574 30 10 JFEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722556377 QLXWIAXYIYPCKB-OXQOHEQNSA-N 476.984 2.738 30 10 JFEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722683411 LVULRFKPZZPBHE-UHFFFAOYSA-N 465.421 2.700 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1722710723 NUNHDLJBNJKWHX-NNMXDRDESA-N 487.567 2.984 30 10 JFEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1729388697 DAAGDMYNSCOPSI-UHFFFAOYSA-N 465.524 2.753 30 10 JFEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CCCC1 1729530130 ALBUMPYEMSIGNA-UHFFFAOYSA-N 456.616 2.705 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740624519 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C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1358986892 KXAQMJOPIQLOMK-ROUUACIJSA-N 473.419 2.998 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCn1ccnc1C 1359015335 PZEJWKCCZVTNIZ-UHFFFAOYSA-N 458.501 2.909 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359056497 GLWOCDGTTFFREX-MJGOQNOKSA-N 463.648 2.966 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccc(O)c1 1359076563 FSBJFKAFJKYWLW-OLZOCXBDSA-N 458.382 2.700 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(F)cc2C1 1359090506 BYVCYZDGLJCCCG-VPWXQRGCSA-N 463.579 2.571 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359117202 LRCUDGFRUTYHPN-UHFFFAOYSA-N 456.978 2.886 30 10 JFEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1359123872 USQDMVRWKLYLHB-UHFFFAOYSA-N 472.041 2.987 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC)C1CC1 1359251956 ZSJKHYMBFXWZLG-QGZVFWFLSA-N 462.595 2.514 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccccc1OC 1359304356 WFLXTQIALWLIPL-GOSISDBHSA-N 480.594 2.922 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)nn2C)C1 1359313226 JAQRJOLYJWKBCN-KRWDZBQOSA-N 460.380 2.918 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCC)C1 1359328057 RXFDVZVSZOPQAH-HNNXBMFYSA-N 472.409 2.642 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4cc(C(=O)OC)on4)CC3)ccc2c1=O 1457983064 VKPZXXHYADMYLF-UHFFFAOYSA-N 454.508 2.666 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n[nH]2)c1C 1465744941 UWNNTEMAHWHIGE-KUHUBIRLSA-N 458.563 2.830 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(Cc4cccc(Cl)c4)CC3)C2=O)cc1 1470031825 AHFBYZBPTFAGHG-JOCHJYFZSA-N 451.958 2.840 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)CC1 1501769496 FUHMAGBEXWLBHO-QFIPXVFZSA-N 479.629 2.624 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)C1 1505317128 CQMYLBFOBYOLTN-HXUWFJFHSA-N 467.954 2.777 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCCC1 1507536086 AGTFWEOKGBKSRW-HSALFYBXSA-N 460.623 2.776 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCc2cnn(C)n2)c1 1507550255 VSRBZEYYXLEJPB-UHFFFAOYSA-N 489.971 2.811 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507580442 FGSMEAHLJRTYCF-NRFANRHFSA-N 466.630 2.980 30 10 JFEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1507582692 IXVUNGBQQZAOJL-KRWDZBQOSA-N 460.460 2.856 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507625850 BHXWJQJAJISWQZ-QUCCMNQESA-N 491.061 2.742 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507629507 MXOWZOPRCFVDCE-TZIWHRDSSA-N 455.628 2.612 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507632105 WXUUZUWWYYCFGV-QHCPKHFHSA-N 478.622 2.883 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(C)COCCO2)CC1 1507721609 WXXULLHKFHLLIT-JOCHJYFZSA-N 474.403 2.577 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2csc(C(C)(C)C)n2)CC1 1507741522 WBKIKBVAXPUTRI-UHFFFAOYSA-N 458.632 2.777 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCN1CCOCC1 1507845158 XHYCOIQNDMYKBB-OAQYLSRUSA-N 492.665 2.754 30 10 JFEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(S(C)(=O)=O)CC1 1507957795 KWDOHEQSMPQZQM-UHFFFAOYSA-N 470.599 2.941 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1508121836 HBUCEGDUGZEEPD-RTWAWAEBSA-N 460.600 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(C)c2C)CC1 1508146988 GEMJSFXNXJOAIA-OAQYLSRUSA-N 459.616 2.674 30 10 JFEE CC(C)N(C)CCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1509517826 HBZCTLKUJYADBL-UHFFFAOYSA-N 459.602 2.587 30 10 JFEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1513441337 IDKPSGWBEXJVOW-FXAWDEMLSA-N 457.542 2.619 30 10 JFEE CCc1nsc(N2CCCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)n1 1513964175 FZAHMJANMALYKB-KRWDZBQOSA-N 465.631 2.897 30 10 JFEE CCNC(=O)C1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1515974823 CRJZUUMCTXKSSO-QHCPKHFHSA-N 456.522 2.711 30 10 JFEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1519161849 BJMTWBCPEOBCIQ-IAGOWNOFSA-N 451.531 2.511 30 10 JFEE C#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)C1 1537400549 WNMNDKRFBYWDJW-FQEVSTJZSA-N 459.612 2.573 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(SC)CCN(C)CC1 1539016695 VFSCEOYXHQXGJC-RBUKOAKNSA-N 492.690 2.872 30 10 JFEE C#CCCCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539086267 CKTNTFHLINMFQP-DEOSSOPVSA-N 458.607 2.506 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1539210830 GRWQDRKKMOOCSO-JOCHJYFZSA-N 479.606 2.942 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2ccnc2)c(F)c1 1539333585 GVYLSVIDRJGTDQ-UHFFFAOYSA-N 456.529 2.976 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539383694 HXVJODITENTALZ-XRXFAXGQSA-N 477.675 2.860 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCCO1 1539409275 VENQREUYJHAFDQ-IBGZPJMESA-N 464.570 2.891 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1539525930 GFVFDLWLJZYKPT-HSZRJFAPSA-N 454.575 2.743 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1539616558 RJOQPIYOXPNMFR-OFCAXSSNSA-N 493.605 2.587 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1539735167 JWWHCGWMRPINJO-QGZVFWFLSA-N 454.358 2.796 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1539986464 ZPCHRCVVYZYVDS-FDDCHVKYSA-N 475.615 2.546 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1540147506 RPUPEDFJJHGQPM-OFJJUDJNSA-N 468.670 2.736 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1540876684 YDZKGFRKSFKTKQ-MZNJEOGPSA-N 457.550 2.884 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccnc2)C(C)C)C1 1540893189 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C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1587758932 JXRHABCEODMTAV-QFIPXVFZSA-N 462.598 2.874 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1588058844 DNFUGRZRDVWXMF-GOSISDBHSA-N 470.517 2.594 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588068843 AMVOLBJODMLXDX-VSKRKVRLSA-N 486.638 2.916 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588069523 PSXGEJKDSSYOIH-FQEVSTJZSA-N 490.601 2.830 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1588070246 XOXUXCQXTNOHSZ-HXUWFJFHSA-N 485.997 2.889 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCN1CC 1588400038 UJAGZRSHZSLZNP-VQTJNVASSA-N 460.623 2.920 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCNC(=O)C(C)C)CC1 1588750539 FAMTULZKMRQWBD-IBGZPJMESA-N 473.021 2.989 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1588813532 YZUXUDMPOUTCFY-NRFANRHFSA-N 450.587 2.570 30 10 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C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2OC)CC1 1595824230 ZGSXEJSOBQMLQB-UHFFFAOYSA-N 473.643 2.947 30 10 JFEE CC(C)(C)C(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1596950930 BZOKPKBFAXAHQS-GFCCVEGCSA-N 467.393 2.660 30 10 JFEE Cn1cc(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)c(-c2ccc(C#N)cc2)n1 1611462094 GVLXLDVPRFICRL-QFIPXVFZSA-N 459.554 2.606 30 10 JFEE C#CCN(CC#CC)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 1615665797 WQVJDPONDUQGEN-UHFFFAOYSA-N 458.628 2.604 30 10 JFEE CN(CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1F 1618241730 DZHDHYJPBRCBFV-QGZVFWFLSA-N 483.573 2.664 30 10 JFEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2Br)C1=O 1622074852 UDSJOEOXQIFGJA-LBPRGKRZSA-N 452.168 2.619 30 10 JFEE C#C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)[C@@H]1CCCO1 1634530101 LPFYHRXOIRKGFV-PXNSSMCTSA-N 457.508 2.923 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CC(=O)N[C@H](CC)CO)cc3)n[nH]2)c1C 1635946731 NDLTXCMXUATQBU-GOSISDBHSA-N 450.543 2.758 30 10 JFEE 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456.547 3.000 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C1 1705914787 QINCRXSLCFGWCS-AQNXPRMDSA-N 488.633 2.941 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC(=C)C)C1 1705925325 OBBCWBQBAZYSNU-PMACEKPBSA-N 477.606 2.961 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)c2ccco2)C1 1706932078 BJABTNULPGWRNF-QHCPKHFHSA-N 482.566 2.502 30 10 JFEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccs2)CC1)S(C)(=O)=O 1711048637 HZFOZGAGHFVKCY-UHFFFAOYSA-N 470.624 2.981 30 10 JFEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1711437655 DQVSHKYXURPFNX-FQEVSTJZSA-N 453.543 2.935 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1712459000 FDAYNTVXOQIRPS-IPMKNSEASA-N 467.636 2.530 30 10 JFEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1=O 1712468358 BRBWTOBOCGMCMB-FPOVZHCZSA-N 466.586 2.563 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722339481 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C=CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](C(=O)NC)C(C)C)C2=O 35971639 ORDMWHGNLKJRDI-QZTJIDSGSA-N 450.461 2.825 30 10 JFEE COc1cc(/C=N/Nc2nc(SCC(=O)NC3C4CC5CC(C4)CC3C5)n[nH]2)ccc1O 58994884 KKEVQVRTSZVYCC-AUEPDCJTSA-N 456.572 2.998 30 10 JFEE CN[C@]1(C#N)CCC[C@@H]1CCn1cnc(I)c1I 385473630 LSXJHHYLRGSKJL-SKDRFNHKSA-N 470.096 2.764 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)cc2C1=O 500761712 KHEOUYSKRHKSMS-UHFFFAOYSA-N 451.910 2.649 30 10 JFEE C=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1)c1nc(C(=O)OCC)cs1 501940366 GHGYWRRLSYZMSY-UHFFFAOYSA-N 451.570 2.776 30 10 JFEE CCCOc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824015 DXWAPPHKPWAVCR-NHYMHOBKSA-N 475.545 2.591 30 10 JFEE COc1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)ccc1OCC(F)(F)F 725761932 BCWMUMHNKTWLGU-UHFFFAOYSA-N 471.460 2.934 30 10 JFEE CCCn1c(=C(C#N)C(=O)Nc2ccc(Cl)cc2)sc(=Cc2cnn3ccccc23)c1=O 729672135 YTJZQODQKHUQMA-UHFFFAOYSA-N 463.950 2.763 30 10 JFEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 794727472 BXJDPVGSAQEEHG-QGZVFWFLSA-N 492.550 2.821 30 10 JFEE Nn1c(NN=Cc2ccco2)nnc1SCC(=O)Nc1nnc(SCc2ccccc2)s1 1084471438 MJFQHNYKBNNJTB-UHFFFAOYSA-N 487.596 2.906 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1286309342 JYTHHNKZDJXMQZ-JOCHJYFZSA-N 485.592 2.963 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[S@](=O)C(C)(C)C)c1 1286312670 ZLMQSBCKTDCSIO-UMSFTDKQSA-N 478.622 2.867 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286383314 LYVJSKWYJJCYJS-HXUWFJFHSA-N 472.611 2.787 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286387729 USVLHLXNNRTAIR-BHIFYINESA-N 486.686 2.668 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1286390391 ANYFRPKODLPTSQ-LJQANCHMSA-N 493.580 2.725 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286408813 KIQSMPGALKLEKJ-RBBKRZOGSA-N 486.041 2.799 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)C1CC1 1286424898 PMXNMMYNIJNWQI-UHFFFAOYSA-N 470.371 2.705 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](CC)N2CCc3ccccc3C2)CC1 1286492797 PXTVTEFTXOWVFC-DEOSSOPVSA-N 478.641 2.617 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286506496 WAIXFPZLFOJFIR-SFHVURJKSA-N 460.510 2.783 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](CC(N)=O)C1 1286567541 VXQFOICKAGZGKV-REHUZNOOSA-N 453.587 2.973 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286701416 ZPNNGOIRLZYJMG-FDDCHVKYSA-N 495.646 2.568 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCC[C@@H]2C)C1 1286803713 JJGUSYCGRDQYSI-MFSJNOQSSA-N 489.642 2.528 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C2CCCCC2)C1 1286812894 PONDEEDMODTKEW-IBGZPJMESA-N 486.642 2.842 30 10 JFEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1287910989 DKKHVNXRRCUEHY-HXUWFJFHSA-N 451.619 2.846 30 10 JFEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1287926944 FLDTTXNJBSGOFB-UHFFFAOYSA-N 485.596 2.662 30 10 JFEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNC(=O)c1cccs1 1297327773 FJABGQYPVKNRPC-IBGZPJMESA-N 466.567 2.756 30 10 JFEE CN(C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)(F)F)CC2)CCSC1 1298043111 GSJSRGVTIKTJCQ-NRFANRHFSA-N 479.576 2.938 30 10 JFEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2nccnc2C)cc(OC)c1OC 1299850133 GNUDDTKHRLXCOH-HSZRJFAPSA-N 467.505 2.754 30 10 JFEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCOCC2)cc1Br 1299997263 HIPYXMGJOXZHFO-OAHLLOKOSA-N 491.390 2.561 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(OC2CCOCC2)c1 1300322248 PVKLVSGQWACORL-QGZVFWFLSA-N 480.594 2.729 30 10 JFEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300400130 DDMVFOUTGYAUMY-FGZHOGPDSA-N 478.641 2.994 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1300432351 UWEWTQVKKUPETE-BKMJKUGQSA-N 466.630 2.599 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1300458389 OWSQXKQYBCUJNO-HXUWFJFHSA-N 478.597 2.796 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300482352 FHPFBXJJSYPRQH-AVRDEDQJSA-N 474.970 2.726 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1300487487 KAMMKEIXFAFABO-MRXNPFEDSA-N 472.640 2.713 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300498615 MAVCOOFEDWIYHV-ICSRJNTNSA-N 462.616 2.778 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1300527933 MQDOJIXFLCSTKO-AREMUKBSSA-N 470.533 2.639 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(c2ccccc2OC)C1 1300559343 OWOADCRGKHRGIE-WXVAWEFUSA-N 477.609 2.928 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)N1CCOCC1 1300656128 ACVCDIWTXDAWCE-MOPGFXCFSA-N 457.644 2.938 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCN2CCCCC2=O)CC1 1300711246 UROPRNMNGPTFHN-NRFANRHFSA-N 499.660 2.508 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1300726569 NXWZJIGOWCXYFB-ZWKOTPCHSA-N 471.552 2.928 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1300805390 BMHZTTQMIQXKPM-PMAPCBKXSA-N 458.584 2.648 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1300839924 QCLKXUOFRCMQSA-UHFFFAOYSA-N 453.348 2.785 30 10 JFEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301070537 OTQPHTZWLNAYSE-MRXNPFEDSA-N 483.436 2.627 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301305303 WPONZMCRQQJDGT-OAHLLOKOSA-N 484.420 2.523 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@@H]2CCCC[C@@H]2C)C1 1301557712 RCSXNBLNMACROQ-MTQWCTHYSA-N 452.621 2.557 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)C1 1301558361 VEVSGEAVTJLQSC-PLACYPQZSA-N 479.691 2.718 30 10 JFEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(C)=O)CC2)CCN(C)CC1 1302599068 CHYXVTUFZQXTHN-UHFFFAOYSA-N 481.670 2.997 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1303182880 FMYFXCURIWBNPK-UHFFFAOYSA-N 451.619 2.706 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCN1CC(F)(F)F 1305141453 BORNBMGEVDENLR-SJLPKXTDSA-N 496.559 2.714 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCc2sccc2C1 1313824906 ADJLTXWGEUPVIP-UHFFFAOYSA-N 484.651 2.807 30 10 JFEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1315250482 CBLYOOGSPDAHPR-SANMLTNESA-N 481.645 2.760 30 10 JFEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1349533217 AQRXRMLAZZENLX-UHFFFAOYSA-N 451.508 2.754 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccccc1)N1CCOCC1 1358897373 XUPCRAOTLGPFGD-FPOVZHCZSA-N 478.622 2.801 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358957837 BDCUERLMTLQDBW-WZONZLPQSA-N 456.568 2.869 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1358958844 XAAZOMYGNFGEMZ-HKUYNNGSSA-N 460.625 2.724 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358965791 BFMFROCNKVDBQI-SFTDATJTSA-N 456.612 2.505 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2ccn(C)n2)CC1 1359032057 ZJAKIQZIFOKFBY-UHFFFAOYSA-N 474.794 2.898 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC(C)CC2)CC1 1359045099 XAWZQVJTXUYNIN-QFIPXVFZSA-N 456.635 2.608 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359092620 CZAQPCUOMHTEGO-SBHAEUEKSA-N 478.615 2.858 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1359093667 QHHWOLNVXCHAFN-JLHGSKIFSA-N 455.559 2.610 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1359160490 WLBTZIOGQJETBN-VQTJNVASSA-N 456.591 2.827 30 10 JFEE C[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCCCC1 1360509954 AXYHRBHOJTXTNO-PZJWPPBQSA-N 465.602 2.695 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2n[nH]cc2C(N)=O)c1 1457186870 JUTWFAGZHPMQAO-UHFFFAOYSA-N 459.915 2.796 30 10 JFEE CCCC(O)(CCC)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1500153957 GPCYANRIJSUVFU-INIZCTEOSA-N 451.531 2.654 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1501661590 CHNVZNQOXIOFCS-KRWDZBQOSA-N 463.629 2.884 30 10 JFEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1503363532 BQGVGZVZOPWOIO-FPOVZHCZSA-N 452.559 2.602 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1507631159 BRDTXXHUMIMPOK-RBBKRZOGSA-N 472.611 2.924 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1507723864 XKGXUPWNGMQRTR-UHFFFAOYSA-N 461.570 2.530 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CCC[C@H](C)C2)CC1 1507731261 DSDKSKXAJLDOQE-XZOQPEGZSA-N 499.704 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2noc(CC)n2)CC1 1507735822 HZHWVCKRQFHCHG-QGZVFWFLSA-N 495.559 2.711 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](CC(C)C)N(C)C)CC1 1507738406 ODZIXLCXARQGNV-NRFANRHFSA-N 451.619 2.591 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN2CCC[C@H](C)C2)CC1 1507740020 IIODMKBTPPNBDW-QFIPXVFZSA-N 462.642 2.761 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507746926 GQIHPZRBQAOWFW-GOSISDBHSA-N 478.640 2.732 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1507820654 JNJKROJCGFGIRH-IQVDJAOASA-N 467.636 2.900 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(Br)c1 1507831645 CCVVAFRZOCOEKT-AWEZNQCLSA-N 490.449 2.648 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(F)F)c1 1508040171 UBPMRXVLAYNYQV-QGZVFWFLSA-N 454.543 2.979 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1508086882 ABAOOVYZEMKKOJ-CEXWTWQISA-N 476.622 2.604 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C)s1 1508131995 TVRFETCOTKHKMH-UHFFFAOYSA-N 460.585 2.533 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)C2(CCC2)C1 1508148672 XCOMPEWPVDPACA-QYZOEREBSA-N 452.621 2.619 30 10 JFEE COCC[C@@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1518971005 COUALNNOKOHROC-GBXCKJPGSA-N 457.575 2.671 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1539045065 PGACSFYGFXWPPY-QZTJIDSGSA-N 457.918 2.779 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539045070 PGACSFYGFXWPPY-ZWKOTPCHSA-N 457.918 2.779 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1539212261 OHFWOMVCKDFDJY-LJQANCHMSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1539219305 BSWYADWDKLFKCD-MOPGFXCFSA-N 463.003 2.809 30 10 JFEE C#CCN(CCOC)c1nnc(CC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539417616 NUMLIUCRTOHGKM-HSALFYBXSA-N 461.607 2.587 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1539735520 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DBOJULOAPATSCT-TXTKFYIRSA-N 474.631 2.804 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1297941069 ARVDZDBXKPLRNA-PMACEKPBSA-N 468.558 2.678 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Oc2ccccc2)nc1 1300307303 DNGHANPWPODDGO-HKUYNNGSSA-N 451.552 2.874 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC[C@H]2C)c1 1300333929 GKLGHAHTSOZGIK-KNQAVFIVSA-N 458.566 2.993 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N(C)CC)c1 1300337135 UFSLTSBKARDVPB-NFBKMPQASA-N 480.613 2.731 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1300481761 BTZYVNWLJNYFBS-INIZCTEOSA-N 499.406 2.900 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCCc1nc2c(s1)CCCC2)[C@H]1CCS(=O)(=O)C1 1300485472 XELOQIRYRPOEFQ-KRWDZBQOSA-N 461.657 2.996 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1300487429 JHIYLBYVSMRHHH-IOJLRTSASA-N 459.616 2.506 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300499811 XHQWURXLDXNKJF-HXUWFJFHSA-N 489.523 2.958 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300558983 GRENOBDZIQEFCM-QGZVFWFLSA-N 497.372 2.982 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCCC1 1300578784 PBYUNGRAOMVCKR-UHFFFAOYSA-N 488.640 2.708 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(N3CCOCC3)CCCCC2)CC1 1300711609 DVIVJPREORISIQ-OAQYLSRUSA-N 470.662 2.793 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1300726086 HRSKNULIMNWPMZ-DEOSSOPVSA-N 489.599 2.672 30 10 JFEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1300762117 NTLZVKILORMVIH-SFHVURJKSA-N 460.673 2.880 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300830585 ZVKLGIVASCYYJW-GWCFXTLKSA-N 470.169 2.659 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1300875996 QZRINEYQCPRAGY-OFNKIYASSA-N 458.651 2.954 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C 1301566970 DKUCMGGNHSFXFW-UHFFFAOYSA-N 468.023 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1301578800 JDFOEZFCLKICQI-UHFFFAOYSA-N 453.572 2.787 30 10 JFEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CC1 1302438331 FWSDEYOEPMGMIG-KRWDZBQOSA-N 463.654 2.679 30 10 JFEE N#CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)N2CCOCC2)CC1 1302999930 HSQYQZVGOFVAHR-UHFFFAOYSA-N 479.404 2.758 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H](C)O1 1315934122 HGJDTLJIAHBELG-KPFFTGBYSA-N 478.519 2.941 30 10 JFEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1316422469 HRPCEQAIDDGLRR-HXUWFJFHSA-N 452.588 2.713 30 10 JFEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C 1358207238 BGMDAVQZPFITCS-OALUTQOASA-N 479.350 2.825 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1358913423 NUOMXGYHAUSTGN-HXUWFJFHSA-N 487.601 2.652 30 10 JFEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1358917726 ZHJGCXIUQDJCLU-UHFFFAOYSA-N 481.597 2.744 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(COCCOC)cc1 1358949723 LCDRPSWLLYBFIJ-QFIPXVFZSA-N 499.612 2.867 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358953664 DYNHYILHIKWVSC-IBGZPJMESA-N 462.554 2.604 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCN(C)CCCC)CC1 1359034767 CDSLTFMODJZIIP-UHFFFAOYSA-N 487.693 2.880 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359058406 CLGMQZIGIBWCNF-SFHVURJKSA-N 453.572 2.715 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1359070104 FMUONHNZJUMOCR-NFBKMPQASA-N 490.630 2.543 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359134185 MUPVILAXXPMJAO-OAQYLSRUSA-N 484.620 2.734 30 10 JFEE C=CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359206378 CSGCKRCGBUDBNA-GBXCKJPGSA-N 461.607 2.503 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(=O)(=O)N(C)C 1359234223 IHJDFMRQZLKWJN-UHFFFAOYSA-N 462.801 2.875 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1359256254 ADWPHQSKHADEOK-MZKRTTBSSA-N 477.613 2.793 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1ncn(C)n1 1359279167 WBRGDMKODORZHJ-UHFFFAOYSA-N 450.316 2.662 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359303993 HODFWCRWSYRNOD-QHCPKHFHSA-N 454.600 2.899 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1359304629 DOHJSRFWUNBCTN-GOSISDBHSA-N 486.592 2.677 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCN(C)C2)C1 1359316670 TYNGTHPANYBEOC-AVRDEDQJSA-N 476.419 2.864 30 10 JFEE C[C@H]1CCN(CCOc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc2)C1 1445041092 BBXVYMGONIWLLP-ROUUACIJSA-N 456.568 2.584 30 10 JFEE COc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(Br)c1 1468342753 DIKANBBAMBABJT-NSHDSACASA-N 452.330 2.914 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)C1 1499880592 CZHDTHKPZQWESJ-QFIPXVFZSA-N 479.629 2.813 30 10 JFEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1502486541 GSFYAWZBMBIXOT-IBGZPJMESA-N 481.601 2.595 30 10 JFEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)CCOCC1 1504628799 FSWNBSKACNNHDA-UHFFFAOYSA-N 482.629 2.807 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1507521034 JMQVXEGDZWHSDB-ZWKOTPCHSA-N 480.569 2.829 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507628518 WWODAXAYDCGPLP-YZUZCNPQSA-N 458.628 2.854 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507631429 PJFMIMHDNJUQHX-LJQANCHMSA-N 457.600 2.625 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC1CCCCC1 1507681529 YKKFDRONUGPLED-UHFFFAOYSA-N 455.559 2.879 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1507720860 XKAYGUHOUZOGQU-NVQXNPDNSA-N 467.614 2.850 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1507724897 LTYZEANBTCUXOJ-HXUWFJFHSA-N 462.598 2.935 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507733679 HTUXSUZYKYLVDC-LJQANCHMSA-N 472.634 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2csc(C(C)C)n2)CC1 1507737892 GTCJAOBXTMTKDL-UHFFFAOYSA-N 464.599 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(SC)CCN(C)CC2)CC1 1507739062 LTWXLJUTRUOPRQ-UHFFFAOYSA-N 458.676 2.729 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507748838 NDNSPIAZYWTMSB-OAHLLOKOSA-N 472.011 2.622 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1507835533 DPTFJERIQJGURA-UHFFFAOYSA-N 476.622 2.990 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507929118 NMJIJUAUFYDYHJ-UHFFFAOYSA-N 458.592 2.577 30 10 JFEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507958310 UBPWKYHQGIGTFH-UHFFFAOYSA-N 453.996 2.709 30 10 JFEE 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2.860 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC(C)C)NC(=O)OCC 1286281956 JUGOKTAHMYHPPT-IEBWSBKVSA-N 465.562 2.540 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)C(C)C)c1 1286310037 WFNWGLWFCVVBCC-FQEVSTJZSA-N 475.553 2.653 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286323168 IVMPPBFYONGBPF-RCCFBDPRSA-N 475.546 2.504 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286383797 OFTVVWPXAPONFJ-QKLQHJQFSA-N 457.556 2.916 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)cc1O[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286390998 BEVJXKMZHLNPIQ-FCHUYYIVSA-N 486.638 2.628 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286395763 UQBYZIRCNIBBPP-LEWJYISDSA-N 473.618 2.509 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286397172 RQFAIMDSXAYXRC-QFIPXVFZSA-N 479.606 2.738 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(N2CCOCC2)CCSC1 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490.029 2.797 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC(C)C 1705592020 OQNMBDYVXJDGNN-UHFFFAOYSA-N 496.406 2.637 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C 1705735646 VCABCADFMBDRLG-IBGZPJMESA-N 478.638 2.946 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)CC)CC1)c1ccccc1 1705741016 DHHGZTHHFITHGY-LJQANCHMSA-N 460.648 2.912 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 1705830199 KUBBSDUMYMGVGU-CYFREDJKSA-N 477.606 2.796 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1)C1CC1 1705853831 FXVCGSOTCOXMTD-OAHLLOKOSA-N 471.505 2.719 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705905409 UTAIBKGBQPHEKC-KRWDZBQOSA-N 467.492 2.727 30 10 JFEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 1705910335 ZFBOZVOQCVUNRK-IBGZPJMESA-N 452.603 2.804 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705939992 SDFOPLBPGGDBBY-UHFFFAOYSA-N 470.643 2.996 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CC)c1 1722305093 MFBWCCFTUVCCRI-JWQCQUIFSA-N 469.586 2.536 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@@H](C)C2)c1 1722305741 LNSZTTJQYPXCJZ-AZUAARDMSA-N 487.564 2.797 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722358631 DVCCIQGDMWOWIC-RXVVDRJESA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722364988 JUMSCKMQRUMXDS-HXUWFJFHSA-N 486.667 2.533 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc(Br)cn1 1722377079 OJKAHQSRCLCUEE-UHFFFAOYSA-N 469.343 2.694 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nnc(C)s2)CC1 1722434419 QZVDGWLXCGTZPT-UHFFFAOYSA-N 472.416 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2noc(CC)n2)CC1 1722442992 LLMSBUDGUOOFQF-UHFFFAOYSA-N 497.987 2.761 30 10 JFEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722463409 BEWOCJBMEFFHDF-UHFFFAOYSA-N 498.722 2.990 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1722506427 UTTRIVQGZZDBLS-NVQXNPDNSA-N 496.656 2.713 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722521187 CHITWNVVVSBQET-UHFFFAOYSA-N 456.591 2.529 30 10 JFEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1722544588 ZQPMLZMAJBVAFV-HNNXBMFYSA-N 461.954 2.818 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722550488 KGALMBHKGSZBHF-OPAMFIHVSA-N 464.998 2.862 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1722655943 NDWCTUDMNRGBJN-URXFXBBRSA-N 474.627 2.948 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2CCOC2)CC1 1722693273 IXKQUDCTXLULFX-HNNXBMFYSA-N 463.380 2.591 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC2CCCCC2)CC1 1722694701 FIMJIXIAGDMZPW-UHFFFAOYSA-N 482.629 2.967 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722695734 OFSYXJGXPPBWDV-QHCPKHFHSA-N 475.977 2.684 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(CC)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703922 LNYWPLKBIRZXAZ-BKMJKUGQSA-N 483.613 2.761 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722706022 LIKFIQPABIQSDT-FQEVSTJZSA-N 485.976 2.607 30 10 JFEE CC(C)c1nc([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)no1 1723130502 DGLIRMNBYVDBAT-GOSISDBHSA-N 478.557 2.707 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1730629097 COADGJRQYCDNHL-HSZRJFAPSA-N 487.626 2.542 30 10 JFEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H](C)O1 1731155683 AQJIPDMAMVUMFM-KDURUIRLSA-N 488.658 2.575 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1740557381 MMRBOTHDGWAMHG-AWEZNQCLSA-N 487.409 2.562 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740617049 KVDYDVHCAJQLBP-KJWPAHLWSA-N 486.638 2.749 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1740691869 BCNRGBGITJQWFN-QHCPKHFHSA-N 493.530 2.675 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCOC(F)(F)F)CC1 1740697607 LKXDVSPBMQVKOP-UHFFFAOYSA-N 453.465 2.644 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)s2)CC1 1740701013 QWFHBUSWUHTYKA-UHFFFAOYSA-N 456.616 2.581 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCOCC1 1740726844 QCDUSKRPLPMCSZ-HSZRJFAPSA-N 457.600 2.614 30 10 JFEE C=CCCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740866412 CWLUPPUETCKTMD-FGZHOGPDSA-N 452.621 2.690 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740924041 DDFNJEVLLSBAIN-SJLPKXTDSA-N 451.618 2.665 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1740966595 NSRKGFOVSOBKRE-OAQYLSRUSA-N 475.615 2.651 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(Cl)c2)C1 1740973287 USALQTDBGQTZDL-ZFWWWQNUSA-N 457.959 2.510 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740990023 GFSBRNIHNNLBOK-SFHVURJKSA-N 484.626 2.912 30 10 JFEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](CNC(C)=O)C1 1741005782 RBRIUHBDKMTTOE-HXUWFJFHSA-N 454.600 2.542 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCC(C)C)C[C@H]2C)CC1 1741057417 ACPKMARFYMIRDD-BWKNWUBXSA-N 493.656 2.868 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCc1nccs1 1743232464 FRZRZRMQSVGVBM-INIZCTEOSA-N 451.604 2.943 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)CC 1743944483 BGBSZPHKQPJMEB-JOCHJYFZSA-N 493.637 2.848 30 10 JFEE CCC(CC)[C@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1744003238 HTSVBPUCPDZFRW-FPOVZHCZSA-N 475.615 2.919 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCc2cccc(C(=O)N(C)C)c2)CCOC1 1746673671 CBDHCUJZCBYVKO-VWLOTQADSA-N 466.586 2.615 30 10 JFEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCC1 1747566106 BUZJWCMFEPVGQF-FQEVSTJZSA-N 456.616 2.705 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(CN2CCOCC2)c1 1748681660 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749127994 QKSHMRWUCQAYPC-JZXOWHBKSA-N 453.513 2.733 30 10 JFEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CS(C)(=O)=O)CC1 1749489118 RLIIJGDQOKEQES-UHFFFAOYSA-N 467.636 2.840 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749609136 BRXIALYEWBQNFM-KRWDZBQOSA-N 457.575 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CCC)C(=O)C1 1749726709 BIKKOGSQYYXOGI-UHFFFAOYSA-N 483.997 2.787 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1csc(C(C)C)n1 1750965025 AZHIDHOVYNJNEF-UHFFFAOYSA-N 493.641 2.832 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1751271862 GNTVLDQYWIBNMH-ROUUACIJSA-N 470.549 2.935 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 1760180751 KPAIUPFTCKUGSE-PKOBYXMFSA-N 488.635 2.892 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1760208722 ILEFSUKZNDCDAD-HXUWFJFHSA-N 480.613 2.767 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1760273334 PHVYNSRJSFAHIC-SQJMNOBHSA-N 495.624 2.893 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760310465 GHLDPEWOHGMVLE-QGZVFWFLSA-N 459.396 2.851 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760313938 RBWYLSQWENABNJ-HUUCEWRRSA-N 466.384 2.867 30 10 JFEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)NC(C)C)CC1 1760383078 GSASCCZXPYMBBL-UHFFFAOYSA-N 459.620 2.618 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1760501316 MYYODOWKPIIEJB-FQEVSTJZSA-N 456.568 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1760548379 FIVMGEMTQRQNAO-SFHVURJKSA-N 461.588 2.612 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccccc1Cl)N(C)C 1761480282 FHSGPMIRNKTWGF-JXFKEZNVSA-N 494.065 2.975 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CCOC1 1765856667 BHARURYCSLQKQU-SBUREZEXSA-N 462.595 2.831 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@H]2C)c1 1768375700 HWJDROLPHHPBHY-GOSISDBHSA-N 454.575 2.813 30 10 JFEE COc1ncccc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1769014018 FLARPPFCKVHODB-UHFFFAOYSA-N 466.567 2.931 30 10 JFEE CCCCC(=O)O[C@@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC(=O)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1848436802 ZZRLDBDZMLDWAL-QKIOWAHGSA-N 460.567 2.702 30 10 JFEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862180920 LHEMPJLHBJJWOY-TZIWHRDSSA-N 455.555 2.702 30 10 JFEE CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1ccccc1C#N 1866808783 DJBYMEOBOGLEJY-JOCHJYFZSA-N 484.578 2.994 30 10 JFEE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(Cl)nn2)C(=O)Nc2cccc(C#N)c2)cc1 1867274414 YRPDKNKVVNQLEQ-FQEVSTJZSA-N 463.881 2.907 30 10 JFEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(Br)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002299 IYSQVWQPRUSMRX-MRXNPFEDSA-N 480.388 2.831 30 10 JFEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870112565 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30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1301530907 AENUXRAXPZJEQF-SFHVURJKSA-N 452.584 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC[C@H]1C 1301589006 NGWKODFAXXWVCM-QZTJIDSGSA-N 499.703 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCc2oncc2C1 1301593855 VYQYBOBBQPRXTG-UHFFFAOYSA-N 475.596 2.731 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1([S@](C)=O)CC1 1305775670 CGEYFIMVEDALGC-DHUJRADRSA-N 497.669 2.696 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1358876074 BUMDJDICAQLPQI-JXFKEZNVSA-N 463.529 2.776 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNc1ccccn1 1358892143 SYAXLUYHOBLQJO-RTBURBONSA-N 469.590 2.942 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccc(F)cc1 1358950112 XALUFRWTXDTWHN-DVECYGJZSA-N 473.549 2.703 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1358959989 UHPURZCKAJNNLS-QGZVFWFLSA-N 475.521 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462.602 2.867 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1507985360 ACALQKOPZCSUJE-QHCPKHFHSA-N 454.600 2.559 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508092062 OTRABSFYIJTWBB-DEOSSOPVSA-N 452.559 2.672 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1508118122 PNYOQQNLUFPRCB-FQEVSTJZSA-N 469.567 2.604 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCNS(=O)(=O)c2ccc(C)s2)c1 1539042393 FLYYZSNRMAUZCS-UHFFFAOYSA-N 498.634 2.560 30 10 JFEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539058866 JQOXEWCYSZQNSV-UHFFFAOYSA-N 480.613 2.510 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)OC(C)(C)C 1539178716 JTWRHFPSPHLZPP-KRWDZBQOSA-N 478.594 2.571 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539231800 YKNFIHFKXGHZSD-AQNXPRMDSA-N 472.611 2.929 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CC 1539325698 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2.648 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1CC1CCN(C(=O)OC)CC1 1588166850 RCFCZBQYWCXVBD-UHFFFAOYSA-N 465.554 2.807 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(-n2cncn2)nc1 1588581396 PPMXXLPGHYCNOT-UHFFFAOYSA-N 493.369 2.818 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588800388 DMWIZNZUYOOCLX-ICSRJNTNSA-N 453.591 2.674 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1588864715 JJEYOWNZIMFWSY-UHFFFAOYSA-N 493.612 2.741 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1589070656 VSFSNJREUATFOZ-TZIWHRDSSA-N 460.692 2.612 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589357480 ALWPEIWDZZWGAS-OAHLLOKOSA-N 484.420 2.628 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1 1589484164 RNGUHAAFBYWYQD-FPOVZHCZSA-N 466.586 2.830 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1589701296 XGCVHLIRZPZHOO-UHFFFAOYSA-N 462.558 2.849 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594535068 QDIKZJPQRUILMK-WOJBJXKFSA-N 486.661 2.726 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1595517361 XTXZNRSVRSVPPX-OAHLLOKOSA-N 491.390 2.725 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCOCC2)C1 1595759056 CXLMNTMTORPGPP-SFHVURJKSA-N 494.589 2.544 30 10 JFEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1595866513 NSHQHOCWVWUVLB-GOSISDBHSA-N 457.648 2.762 30 10 JFEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)C1 1598026799 FSEONYHRWOBKBE-DFBJGRDBSA-N 450.587 2.966 30 10 JFEE CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1602952858 FZLRFEWIPZPQSZ-TZIWHRDSSA-N 456.616 2.971 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@H](C)N(C)C)c1 1611927185 BCJXJBPVMWLAQD-FQEVSTJZSA-N 491.644 2.664 30 10 JFEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1 1612510584 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C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690277201 IKHDFRBECPZVQA-HUUCEWRRSA-N 452.577 2.805 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2conc2COC)CC1 1690402438 BZGWKDSPWPYMQT-UHFFFAOYSA-N 457.556 2.934 30 10 JFEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690491957 KZOMGWMLYLVYJJ-SFHVURJKSA-N 458.950 2.949 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1690609296 KFDCWHJARGSQGT-AZUAARDMSA-N 495.671 2.582 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC1CCOCC1 1690662268 WXSRGNONUXDVGX-UHFFFAOYSA-N 465.396 2.601 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1 1690670882 LJRSKVHGUMLIHV-ADKAHSJRSA-N 464.586 2.879 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1690715063 BVVMKFMVMZDVTF-KRWDZBQOSA-N 461.636 2.704 30 10 JFEE Cc1n[nH]cc1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1692911696 CNTCOJMKMSHLLM-JOCHJYFZSA-N 470.940 2.968 30 10 JFEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1(C)C 1693709487 DUAKHWREXNFSEB-IEBWSBKVSA-N 456.616 2.971 30 10 JFEE CN1CCCC(C)(C)[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1696879034 FRVYMMANSMYUAQ-QFIPXVFZSA-N 479.629 2.941 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705496831 NVKLAXJKGOAUTF-UYAOXDASSA-N 460.586 2.836 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705579373 UXBXUDDYOKBWSQ-UHFFFAOYSA-N 457.557 2.742 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N2CCOCC2)CCSC1 1705593456 QWZHYNMGFYSPQV-QHCPKHFHSA-N 471.030 2.664 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705602302 PQNPDDIUWXFTHB-FQEVSTJZSA-N 479.478 2.722 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccsc1 1705613361 ZCCHVXKARJAAHC-QHCPKHFHSA-N 451.600 2.881 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN(C)CC(F)(F)F 1705622609 NCPXHIBLXUNORD-UHFFFAOYSA-N 477.329 2.626 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(OC)c2)CC1 1705648467 SYOHYEIPJPGKBG-JOCHJYFZSA-N 451.571 2.737 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)CC1 1705648586 UYGWUSYQXGRBCM-MRXNPFEDSA-N 492.411 2.562 30 10 JFEE C#CCSCCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1705665290 PTWUOKYDPJKRLT-BXWFABGCSA-N 462.538 2.841 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1705714148 GSBZXTAKWDHDEC-UHFFFAOYSA-N 451.575 2.946 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1705716807 VUYLZFGTQBXSGG-OAQYLSRUSA-N 472.615 2.737 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCCC2)CC1 1705729362 UUSPZJUBWVCGNT-UHFFFAOYSA-N 453.591 2.973 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705745536 KPQBOOZGZBRWAZ-QGZVFWFLSA-N 451.955 2.927 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705791566 ZHULNDNZMKLADP-OAHLLOKOSA-N 456.513 2.726 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705857112 PQLJRNBSSHEIKR-HXUWFJFHSA-N 482.610 2.823 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705900683 MCAHIUFKCBUARB-DLBZAZTESA-N 459.620 2.555 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 1705934984 CXPQKDOXFKXEJX-UHFFFAOYSA-N 461.607 2.673 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705937176 LGKRUNCLTYTQNR-SFHVURJKSA-N 479.672 2.662 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@@](C)=O)cc1 1706750986 CSVGMYVNSUMULW-HEJPQYQCSA-N 470.624 2.935 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1722309071 UWAVDKRCWLUBDH-QGZVFWFLSA-N 482.651 2.575 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1722355017 CVPWTZAAHQGJMM-FMQUCBEESA-N 475.336 2.760 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722359420 MHAIQOBBYNHSQS-GCJKJVERSA-N 474.970 2.726 30 10 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C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1722616732 BQDBUYTYSMJADS-QFIPXVFZSA-N 488.658 2.521 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)C(=O)OC(C)(C)C)C1 1722720177 HRNNWKTWSVUSTI-IBGZPJMESA-N 459.595 2.788 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1722729981 DEEDDTWDQJJGMU-PZJWPPBQSA-N 460.600 2.506 30 10 JFEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1723806215 BMFPSOPEMKZJCG-FUHWJXTLSA-N 484.557 2.906 30 10 JFEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1728542210 GKAQOOHAPMZUKY-RHSMWYFYSA-N 476.463 2.544 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)c1 1740564117 BAPIQSIUNZWJLI-ICSRJNTNSA-N 496.612 2.999 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740625942 UDTNQZNZJRMYAD-YLJYHZDGSA-N 450.655 2.843 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)C(=O)NC)CC1 1740689510 AUTBITBWANJBGH-KRWDZBQOSA-N 458.994 2.599 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCOc2ccc(OC)cc2)CC1 1740703786 AGRGBRXIYRFNOU-UHFFFAOYSA-N 474.565 2.784 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(CC)n2)CC1 1740704833 YYHOIHWWOQDIPZ-UHFFFAOYSA-N 459.579 2.850 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NCCOC)CC1 1740760419 PUCDMNDJPDBUSU-XUZZJYLKSA-N 485.604 2.968 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1740763167 ZCBYFHNQUPUPGV-UFYCRDLUSA-N 477.606 2.794 30 10 JFEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740776602 UVAVDBUOKIVCSG-NHCUHLMSSA-N 475.663 2.746 30 10 JFEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740797701 SXURTRNWOWSEIU-DVECYGJZSA-N 458.559 2.843 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1740856231 RSTULGONPRDSKF-UXHICEINSA-N 473.643 2.891 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1740977468 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C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCCC2)CC1 1359178797 CBOSZVIAWHSQNM-HXUWFJFHSA-N 451.637 2.984 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359293146 IOGCAOFFIUFYIP-SFHVURJKSA-N 489.418 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359331795 IJOQWNOQEOXJOK-IBGZPJMESA-N 476.599 2.700 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1359565930 FJYXSEGQEAFMOO-TZIWHRDSSA-N 482.585 2.973 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCS1(=O)=O 1360753747 IDRFNKLCZGKOOB-CVEARBPZSA-N 466.995 2.845 30 10 JFEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)CCOCC1 1439374428 RIKMKJQOOLOZIU-UHFFFAOYSA-N 454.548 2.749 30 10 JFEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 1468770941 FOHSAFKWAAXLHD-LJQANCHMSA-N 450.539 2.973 30 10 JFEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1)C(C)(C)C 1504001118 AJTKTEINOKFMJA-CTNGQTDRSA-N 454.575 2.895 30 10 JFEE 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C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C1CC1 1507773802 WYLPEOAAKLBUTC-RUZDIDTESA-N 470.618 2.911 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507803456 GTHRXYHLHIQPCA-GCJKJVERSA-N 477.606 2.507 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2OC)C1 1507809473 WMHYCEOMXPZLIV-YXTQBTIXSA-N 489.642 2.872 30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1507846245 GBEGRBZRXNACTN-UHFFFAOYSA-N 453.591 2.585 30 10 JFEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507966257 NVWZYMZJGAXKTE-NXMSCROESA-N 490.605 2.672 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2ccsc2)nc1 1508040628 ZRFKSWUUEWZRRP-IBGZPJMESA-N 473.624 2.991 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C)c1 1508091368 NMIODVWCBOTGTM-HXUWFJFHSA-N 484.601 2.834 30 10 JFEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1520172463 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SEPXJINMLUCPNM-GOSISDBHSA-N 459.620 2.610 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](C(=O)NCCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539609809 SDUCHRUQQCBOHE-UTKZUKDTSA-N 484.439 2.970 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(NS(C)(=O)=O)CC1 1539688580 IQBMCAGCSPZPAP-UHFFFAOYSA-N 484.420 2.810 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(Br)ccc2OC)CC1 1539828256 GPELHLGGZUGFNQ-AWEZNQCLSA-N 484.420 2.864 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1539840468 UFKGMWRGPSSUHX-UHFFFAOYSA-N 461.588 2.544 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1540151369 GUANVNKAHIPQBO-RZUBCFFCSA-N 467.618 2.917 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540864755 JTEPHXGHZLSIMP-IBGZPJMESA-N 465.558 2.611 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1540894538 ZVGWKOOQXPXROS-IBGZPJMESA-N 473.624 2.668 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1540905069 RLYKARUJOYJMEN-UHFFFAOYSA-N 473.643 2.519 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCC(=O)N(CC)CC 1545533265 GINJTAFBZLXLCL-GOSISDBHSA-N 469.638 2.680 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1546072063 XWZYYLKSSGHFQO-OAHLLOKOSA-N 450.479 2.988 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)C1 1546810465 FRMKATAYOWJAQY-SFHVURJKSA-N 450.572 2.910 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1547805705 GPYOKHREONIANY-AZUAARDMSA-N 497.600 2.556 30 10 JFEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccs1 1548375539 PSOATOHXFOSZTG-INIZCTEOSA-N 472.514 2.606 30 10 JFEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C1=O 1556383480 RWCBGYPLAVEAJS-NRFANRHFSA-N 455.536 2.549 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1587598868 HZFPRXVDNHEGPO-CABCVRRESA-N 481.416 2.999 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1588029236 FGQGDDKNAGGDSQ-PXNSSMCTSA-N 464.035 2.985 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588044882 CHOHMLVUMDNIPW-PZJWPPBQSA-N 495.605 2.691 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCOC[C@@H]1C 1588105428 XUDZEYXKDMDRLM-SFHVURJKSA-N 456.388 2.810 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1588210810 OBRMDVHPKPMUFG-QHCPKHFHSA-N 456.550 2.912 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1 1588399063 LVOKPRGMLVQJGJ-OAQYLSRUSA-N 496.612 2.705 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCOC2)CC1 1588813291 WQOPDXCQSPNAEA-RTWAWAEBSA-N 472.634 2.574 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1589036463 IEVFWYJCCFXEMM-OALUTQOASA-N 469.611 2.824 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOCC)CC1 1589557310 HFUXVOWIICZDAO-DENIHFKCSA-N 460.648 2.774 30 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468.447 2.979 30 10 JFEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)cs1 1618925603 HMQLSPGVXVGIAY-CQSZACIVSA-N 460.585 2.510 30 10 JFEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC 1622450081 JAFDBEUSDGTUSS-LJQANCHMSA-N 453.538 2.549 30 10 JFEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@H](CN1CCOCC1)c1ccccc1 1653480440 HNJXJYMMWLVKSY-GOSISDBHSA-N 450.358 2.673 30 10 JFEE C=CCN(Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1670094408 VYVSSPGXDKSWQB-UHFFFAOYSA-N 458.584 2.994 30 10 JFEE C#CCN(C(=O)NCc1c(Br)cnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 1675167569 YIPCJAMJNGJDFY-UHFFFAOYSA-N 454.369 2.727 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 1677301198 WPQSWGBYBUJGNK-RTBURBONSA-N 457.550 2.627 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)C1 1681226414 HJCBHDCUICFIEC-APWZRJJASA-N 459.522 2.945 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)c1 1689871820 GFNZIJBOWWNLIJ-QGZVFWFLSA-N 499.497 2.890 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCCCC1 1690072285 AZTIZIOFERINBK-UHFFFAOYSA-N 457.648 2.962 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690115859 VVRAEUDSRDEWKV-INIZCTEOSA-N 482.437 2.832 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2nccnc2C)CC1 1690131953 BJUZHWMHOUTNDA-UHFFFAOYSA-N 496.413 2.716 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690139257 FOLLVMOMDAVSMK-HSZRJFAPSA-N 499.059 2.921 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690259792 WXKDWYFWNFRUHU-IBGZPJMESA-N 491.522 2.586 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)NC(C)C)CC1 1690406674 ODAHFZPRBSNWBW-UHFFFAOYSA-N 463.604 2.693 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OCC)CC1 1690411616 QOZUIMMHLAPNGQ-QFIPXVFZSA-N 489.642 2.655 30 10 JFEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690503682 KVKWPOYIXDTUPS-INIZCTEOSA-N 481.475 2.771 30 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CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 609116433 LDVKMQLNDNZHAS-QHCPKHFHSA-N 470.595 2.927 30 10 JFEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2cccc(OCCOC)c2)c1 726406008 SUUVFZRIXQUHOH-OAQYLSRUSA-N 451.548 2.961 30 10 JFEE C#CC[C@@H](NC(=O)CSCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757347328 BYFFGEIJKDLBHB-OAQYLSRUSA-N 452.532 2.851 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(-c3ccccc3)c2C)c(=O)n1-c1ccccc1C 917356615 NPYAQAWIOMZZGK-UHFFFAOYSA-N 495.608 2.815 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c1 1136913066 ZMDSCYSDCKXSIY-UHFFFAOYSA-N 454.451 2.753 30 10 JFEE C#CCN(C(=O)Nc1ccc(Br)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1208442470 HXKDXTAJSCJXAQ-NSHDSACASA-N 450.152 2.866 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1286313510 BHFCOPRGPAEFLO-FUHWJXTLSA-N 459.572 2.762 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286387602 SSHVDVYYOOQRMO-LEWJYISDSA-N 483.569 2.964 30 10 JFEE 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C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(COC)CCOCC2)CC1 1722438920 HPQNAHHEFCMEJI-UHFFFAOYSA-N 458.006 2.721 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722450996 VBRYMSXVHMBZTJ-RXFWQSSRSA-N 465.598 2.682 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722454503 MFKJLLCQGXYXAP-SFTDATJTSA-N 489.667 2.710 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722497986 KIXHIWCXNFOWNY-AUSIDOKSSA-N 457.600 2.582 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722530192 BJTMNADFSJQRRF-INIZCTEOSA-N 485.557 2.609 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722554115 WSQGLTZWZPEHLN-MRXNPFEDSA-N 451.618 2.673 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1722554946 HXAXNCJQSHSWPC-LJQANCHMSA-N 480.034 2.654 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1722559456 XLWZQBCDRREOCD-UHFFFAOYSA-N 466.567 2.728 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1722598998 ADZSIDHWCJYFQN-UHFFFAOYSA-N 451.575 2.899 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1722666732 RRBFUBDOLUBDBI-WOJBJXKFSA-N 458.607 2.559 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC(C)C)CC1 1722693578 TVHMGSLUBMTUGC-UHFFFAOYSA-N 451.369 2.732 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)NC)C1 1722713892 HDTGZZFVVCEBIH-CQSZACIVSA-N 452.328 2.764 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1722736553 AODGZAPBFHONBG-HXUWFJFHSA-N 463.648 2.988 30 10 JFEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)NC(=O)OC(C)(C)C 1723124654 HWYIZKZJEYLTNY-HXUWFJFHSA-N 497.600 2.556 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1cccs1 1723892427 CAJFAQLVDYEJAP-MRXNPFEDSA-N 459.597 2.902 30 10 JFEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)no1 1727462684 HWYITVYDNPGMKV-GOSISDBHSA-N 451.531 2.780 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCCCC2)c1 1740561644 HGPBOIVLLURLGA-SANMLTNESA-N 481.597 2.682 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1740564915 CDTIDEKPUHALDG-UHFFFAOYSA-N 450.587 2.648 30 10 JFEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1740570735 HFYRPRXENWZOLH-GOSISDBHSA-N 454.575 2.942 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740583175 WCGUMONWWIUIJH-UHFFFAOYSA-N 484.601 2.968 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740618080 BPKPOENRSOKCOJ-OFNKIYASSA-N 480.638 2.708 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740621419 XFQUUPXXUKPKEA-OAQYLSRUSA-N 499.040 2.730 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1740627548 IGXWUVGZLDQTEJ-HXUWFJFHSA-N 454.552 2.688 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCn2cc(C)nc21 1740647148 OPJMIPHAYKJGGS-OFVILXPXSA-N 450.587 2.864 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCSC1(C)C 1740680683 LCLBIRQLWBSANO-LJQANCHMSA-N 491.683 2.813 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1740703901 DAPWXRXWBSWTPW-UHFFFAOYSA-N 481.601 2.563 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740721288 DSJQNTPAISFZCC-UHFFFAOYSA-N 490.655 2.693 30 10 JFEE C#CCSCCn1c(N2CCCN(C(=O)CC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740723500 QNHKOYWOQCPBSE-RUZDIDTESA-N 489.686 2.916 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C 1740750824 FVSJSDZHVHFPBJ-BEFAXECRSA-N 470.965 2.930 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740795016 MERBPMFKIFKIAN-RBUKOAKNSA-N 465.595 2.842 30 10 JFEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740807132 PJZNCDIUXHOCMV-AEFFLSMTSA-N 475.977 2.836 30 10 JFEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1740844127 DFRAPNMLVODHFP-KRWDZBQOSA-N 473.647 2.816 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740887225 ADZJUVJXBUITHU-INIZCTEOSA-N 465.396 2.981 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1740971367 WWIACVYWSITMCZ-VAMGGRTRSA-N 483.617 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740994573 TZMJOXMVAPUJMU-SFHVURJKSA-N 454.980 2.647 30 10 JFEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1741293595 HJMPQPCHWLUOFF-UHFFFAOYSA-N 467.574 2.646 30 10 JFEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)sc1C 1742042678 DKDDFTOQMHGUIR-SFHVURJKSA-N 456.597 2.756 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1c(F)cccc1F)C1CC1 1748718081 NMLQZEKKMWBRAV-OAQYLSRUSA-N 493.580 2.862 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748809552 NITDZTYOXKRUFA-WMZOPIPTSA-N 455.609 2.872 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748818897 HLXJZOBBGAZZDU-SYYKKAFVSA-N 474.602 2.840 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748835732 HLIVWXJGNWBTSA-NBGIEHNGSA-N 450.539 2.763 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1748882602 YLEUMLAVZJHNQL-HNNXBMFYSA-N 479.375 2.744 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCCO[C@@H](C)C1 1748950902 PJCFKAJMRWZCIQ-SFHVURJKSA-N 493.450 2.633 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1748972372 HAHLOQIOJJDFQN-TZIWHRDSSA-N 465.602 2.522 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1748983773 CQAWHRXYVMFQCS-IBGZPJMESA-N 468.602 2.870 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2ccc(C#N)o2)CC1 1748984892 VCUBJFVUAQGQJA-UHFFFAOYSA-N 481.354 2.984 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(COC)CCCCC2)CC1 1749010661 UQYXQDVCYMTMCT-OAQYLSRUSA-N 457.619 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(CCC)CC2)CC1 1749016912 PSQVVQWXKYWVKU-UHFFFAOYSA-N 483.686 2.722 30 10 JFEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1749026860 RTNIXWLLCIOVJE-IBGZPJMESA-N 469.611 2.918 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1749032845 ROBVVXDJHBVGBT-UHFFFAOYSA-N 490.633 2.915 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749216429 MXYXFPHBEJTJMC-JOCHJYFZSA-N 468.558 2.866 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1749287070 WBUHAPKQORBMRJ-OKZBNKHCSA-N 482.651 2.690 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C(C)C 1749531283 FFJFCWPUXSEAGZ-NZQKXSOJSA-N 457.600 2.651 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1749650725 GHUIMNBKYSJQSJ-KRWDZBQOSA-N 480.598 2.685 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2csc(COC)n2)C1 1749696473 UUQHRVDCIJPFPZ-GOSISDBHSA-N 489.623 2.781 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CCC2)C1 1749697756 NEWQZPCGUGDGQM-UYAOXDASSA-N 459.616 2.792 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNS(=O)(=O)CC)C1 1749700594 LJSBXDQYROZFDS-HXUWFJFHSA-N 461.632 2.963 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(F)(F)F)C1 1749713878 ZVIIMELXBSOJAE-IRXDYDNUSA-N 486.516 2.908 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCCOC1 1749730450 FEBJHMFQJVECBZ-IBGZPJMESA-N 470.599 2.594 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC(=O)N2CCCCC2)c1 1760126114 QGBZTSNGVUKFAE-UHFFFAOYSA-N 473.581 2.742 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCn2cccn2)c1 1760128478 JGOKZVNNBLINFR-UHFFFAOYSA-N 454.538 2.992 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1760138130 RRKMWAPAGKTSNH-QFIPXVFZSA-N 470.639 2.866 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1760183444 PCEJWQIJARQXPD-IBGZPJMESA-N 485.997 2.872 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1760192431 IUXXTIWYWQKSLN-BIRZXAFVSA-N 492.686 2.885 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1760208477 UECQPWDBDFRCMF-CYFREDJKSA-N 472.659 2.860 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nc(C)c(C)s2)CC1 1760255260 WXQIBLARCFOESJ-UHFFFAOYSA-N 460.405 2.913 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)C 1760314341 VJRUSSUFGHGREL-NQIIRXRSSA-N 489.020 2.804 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1760337262 PBVDEZXFBOLUBD-RBUKOAKNSA-N 497.662 2.814 30 10 JFEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1760419808 CHFCTPFVISAQMI-ZEQRLZLVSA-N 477.613 2.841 30 10 JFEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760447514 LQXGXLSRCWSDMC-UHFFFAOYSA-N 470.599 2.558 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1760485300 YEPSCJSIIDSKQE-FGZHOGPDSA-N 470.593 2.918 30 10 JFEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760512887 WLSYMZDGZCEECW-FQEVSTJZSA-N 452.603 2.738 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760518246 NRFVKCKGEDFRJF-MRXNPFEDSA-N 454.918 2.572 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C)C1 1760519035 PTBZDTLLJNGSIL-GFCCVEGCSA-N 454.756 2.888 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760532966 KKRWMRZLVOVQKV-MISYRCLQSA-N 460.600 2.797 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760569588 SZGLTQHKVCGOAY-QGZVFWFLSA-N 474.656 2.780 30 10 JFEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1767278465 HBOZGTLYUOHHNB-UHFFFAOYSA-N 465.489 2.708 30 10 JFEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1767837651 BIXTVZLHQVZDSE-MRXNPFEDSA-N 480.598 2.759 30 10 JFEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C(C)C 1768130676 BWLHCSPLASDLQC-MJGOQNOKSA-N 494.518 2.905 30 10 JFEE N#Cc1cccc(C(=O)Nc2ccc3c(c2)OCCN3C(=O)CN2C(=O)c3ccccc3C2=O)c1 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455.607 2.890 30 10 JFEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1COC(C)(C)OC1 1690341385 LMDKFUDDGWQACO-UHFFFAOYSA-N 469.011 2.826 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690627758 YXPFVHVMICIUDC-KRWDZBQOSA-N 450.478 2.651 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(CCCN2CCOCC2)CC1 1690666645 BMVILJQZKVWUSX-UHFFFAOYSA-N 452.603 2.576 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690720735 RSQXQWVDBPELGY-IBGZPJMESA-N 459.616 2.739 30 10 JFEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690746922 NWDOLRYCBRILAE-UHFFFAOYSA-N 476.553 2.587 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1691545820 GLWVAHHBIULDKH-SANMLTNESA-N 488.596 2.921 30 10 JFEE CC(C)N(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1692472665 FEMISUKXRGZGOK-IBGZPJMESA-N 477.592 2.725 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)O1 1693782888 FTOFXICSYVSOCZ-DENIHFKCSA-N 479.629 2.763 30 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10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705819309 IYWCHKOGCVBXNZ-HKBOAZHASA-N 490.649 2.710 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN(CC)S(C)(=O)=O 1705842938 VQTORJHEUXQSNG-SFHVURJKSA-N 484.667 2.686 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1705850036 DVABLAYUUKCGGD-LJQANCHMSA-N 486.642 2.609 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705872421 WWCGEBSPAYREJQ-SFHVURJKSA-N 454.600 2.897 30 10 JFEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705892226 NTXONAMFSXYCSX-HSZRJFAPSA-N 454.619 2.583 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1706245639 AMZDTENXVYYRSG-CPJSRVTESA-N 484.601 2.954 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCCCC1 1709191556 GHBWESZZGQMPJS-HXUWFJFHSA-N 452.559 2.793 30 10 JFEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1710015860 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C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@](C)(O)CCOC 1722468826 UKCMFVZOIJZKFE-DNQXCXABSA-N 458.559 2.751 30 10 JFEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(F)(F)C1 1722481545 BZPNFLZKAFKADA-UHFFFAOYSA-N 461.336 2.992 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722510540 SIXBEFAZWONSKS-XPNTWCBSSA-N 498.628 2.975 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1nccs1 1722511248 ZDRQIFGEOSKSAH-MHORFTMASA-N 465.645 2.858 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722532015 ZHGAKKBLVOPKDU-UHFFFAOYSA-N 452.534 2.864 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722533835 CFRGPTCVSIOUQB-UHFFFAOYSA-N 470.647 2.672 30 10 JFEE C=CCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OCC)CCOC1 1722621935 CVMGLKPXUXOGKT-DEOSSOPVSA-N 457.623 2.569 30 10 JFEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722623239 ZFAAWTWSNCYFTM-HXUWFJFHSA-N 466.586 2.933 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722658797 KAHJJQUAPDZRBX-GOSISDBHSA-N 470.574 2.953 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1722693301 JNDMAIHWKSJYAB-UHFFFAOYSA-N 479.585 2.865 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(OCC)cc2C1 1722701781 DJEVBTJJAWSRIE-UHFFFAOYSA-N 480.594 2.533 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)C(C)(C)C)C1 1722718609 LZXKAHADCJVLNT-FXAWDEMLSA-N 476.599 2.785 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCCC1(C)C 1723614291 GLODGNFMWANUOY-RUZDIDTESA-N 465.602 2.556 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccc(OC)c1)N(C)C 1740552798 YDNVXGIEULTYOF-OXJNMPFZSA-N 450.543 2.775 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCc2ccncc2)c1 1740564740 WDVMEQJTEWPLMZ-UHFFFAOYSA-N 451.534 2.958 30 10 JFEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740574172 DWCHBCCSEOUUPS-GOTSBHOMSA-N 458.651 2.554 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740630636 DBRRWQBATHFDHD-LSYYVWMOSA-N 491.636 2.773 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C(C)(C)C 1740638983 QZOPIGRXXXZUPY-UHFFFAOYSA-N 470.618 2.628 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCS(=O)(=O)C1 1740646782 BQUIXUAJVXDWKG-LJQANCHMSA-N 462.579 2.623 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCO[C@@H](C)C1 1740652759 MBZQGTWJEMHOSQ-PMACEKPBSA-N 458.566 2.860 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCC2)CC1 1740695676 ASFFRMKSWMQYQW-RTWAWAEBSA-N 470.618 2.698 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)CC)CC1 1740705840 NCPRRJCPEFHUDS-UHFFFAOYSA-N 475.597 2.594 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740787915 LZQLHRMLUPKYNI-QUCCMNQESA-N 477.631 2.792 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740884777 MLVLFMLNTHUTKR-LJQANCHMSA-N 459.558 2.618 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C)C1CC1 1740909947 DSUKKMKPQUAFIL-OAQYLSRUSA-N 459.616 2.625 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740954055 ACNRUPBHPDFDHJ-MRXNPFEDSA-N 489.418 2.703 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740956794 QHVUXWJKWNEJMS-MRXNPFEDSA-N 474.993 2.602 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740998063 HFOUFBOKJHMQPY-XMMPIXPASA-N 495.697 2.967 30 10 JFEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 1741623465 GXVBCZUVRPTLSI-AZUAARDMSA-N 458.632 2.806 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1741983127 GNFZDKCMMJVILI-UZLBHIALSA-N 498.531 2.695 30 10 JFEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1)N1CCCC1 1744165377 DOCLVCZVMMFQQU-GOTSBHOMSA-N 479.629 2.956 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1745123437 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C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1507905280 WBAVSFYMABOWOF-HXUWFJFHSA-N 457.600 2.637 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1507954577 OBIFLTOJECLGOY-RBUKOAKNSA-N 457.600 2.636 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1507957492 ORSSHSRQWOISSS-XDHUDOTRSA-N 483.573 2.622 30 10 JFEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1508019550 ILUPHDWDHZQQHM-UHFFFAOYSA-N 450.992 2.640 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1508148269 QUXWJHVOQSZRFQ-UHFFFAOYSA-N 474.656 2.766 30 10 JFEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)on1 1513300567 HZMKKJPIRUHWGR-UHFFFAOYSA-N 483.598 2.838 30 10 JFEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1514700437 DCWSVBRYQIRISX-CPJSRVTESA-N 468.602 2.845 30 10 JFEE CCO[C@@]1(c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCC(C)(C)O)CCOC1 1516203763 FIXBHGINGPYXCH-VWLOTQADSA-N 468.602 2.680 30 10 JFEE 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C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccsc1 1540198415 IYUWBLGTDDTDCL-XMMPIXPASA-N 480.594 2.800 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)C(C)C)C1 1540884225 MAJSWCPPEVADLV-RTBURBONSA-N 476.647 2.999 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCS(C)(=O)=O)C1 1540884694 TXRYRKOMJRXGLU-KRWDZBQOSA-N 469.405 2.924 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCS(=O)(=O)C2)C1 1540887127 QIYFNFBBUXQVAG-IEBWSBKVSA-N 476.599 2.568 30 10 JFEE COCCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NC1CC1 1548378121 VDOZHICESPOMAS-FQEVSTJZSA-N 478.515 2.937 30 10 JFEE CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](C)c1ccc(F)cc1 1559639767 AGRJRDBNAIYPMJ-SFHVURJKSA-N 458.559 2.613 30 10 JFEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(OCc4ccccc4)cc3)CC2)c1C#N 1561475160 BLEAYTBZBBAKKA-UHFFFAOYSA-N 451.552 2.690 30 10 JFEE COc1ccccc1-n1cc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1 1561488410 HPSNCYDZUWUZSJ-UHFFFAOYSA-N 453.524 2.816 30 10 JFEE 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C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)N(C)C)C1 1690688738 ZYYYKQDPQFHROQ-CQSZACIVSA-N 452.328 2.716 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCCS2(=O)=O)C1 1690689928 OCPMXCGGCCKKDN-GOSISDBHSA-N 496.431 2.524 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690742376 OOYGJSWUWCDAID-KRWDZBQOSA-N 467.599 2.818 30 10 JFEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1693630931 BLTZQRSIDGFDMF-HOYKHHGWSA-N 486.642 2.877 30 10 JFEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)CCCO1 1693842722 FNRIRPGAKYZODS-HXUWFJFHSA-N 478.601 2.600 30 10 JFEE CCn1cc([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCOC(C)C)CCO2)cn1 1695777169 CSPJATKDKVVDFG-QFIPXVFZSA-N 465.558 2.948 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2c(CC)nn(C)c2OC)CCOC1 1696020312 CFTLUFNVENIWKM-VWLOTQADSA-N 479.585 2.791 30 10 JFEE COCc1nc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cs1 1697829139 DHAVVDBDTPTOPS-ZBFHGGJFSA-N 458.519 2.937 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2(C(=O)NCC)CCC2)c1 1705504196 PFZWTHKPVRSJCY-UHFFFAOYSA-N 450.587 2.938 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1705581214 YJOAICHLWWWIIG-UHFFFAOYSA-N 468.565 2.536 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN1CCC(O)CC1 1705626615 COOSDSCIIVYVFO-UHFFFAOYSA-N 474.609 2.740 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705684712 ZVRARKASPGICIL-KBXCAEBGSA-N 498.447 2.965 30 10 JFEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705726993 VMEBTFWJGOGXKK-UHFFFAOYSA-N 466.630 2.783 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1705761186 CZHXKYUGGAHDNV-UHFFFAOYSA-N 465.945 2.560 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(C)c2ccccc2F)CC1 1705763409 VDUQRDXAULAMPX-KRWDZBQOSA-N 450.584 2.710 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705827423 FKYILLAXLOUYKT-UHFFFAOYSA-N 458.950 2.712 30 10 JFEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1705828234 HFWYNTYMJLYIKE-UHFFFAOYSA-N 451.575 2.881 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705895814 SWRCARYUMRNPDA-UHFFFAOYSA-N 492.584 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)C(C)C)CC1 1705896517 OZRXBBZUAYKAQR-KRWDZBQOSA-N 470.643 2.738 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(C(N)=O)CCOCC2)C1 1705929710 WGOCHANILOXBOB-OAQYLSRUSA-N 469.586 2.537 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1706743484 BRNFBKWYEWVVSK-LBPRGKRZSA-N 455.382 2.599 30 10 JFEE N#C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCCO2)CCO1 1712885899 BXZPVWZQVQPDJR-QZTJIDSGSA-N 462.348 2.917 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722294140 UZOOSBNQYGZDMB-HUUCEWRRSA-N 459.476 2.936 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1722303354 OOMVIBPYVQCQHY-ZMWWRJPQSA-N 467.614 2.893 30 10 JFEE 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2.663 30 10 JFEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl 1545598827 GTMACGSVVJJVLP-OAVHHTNSSA-N 456.351 2.770 30 10 JFEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)OC 1546010038 DLACCDPXDZSLDZ-ICSRJNTNSA-N 452.559 2.649 30 10 JFEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(=O)(=O)c1ccc(C)s1 1546548792 AZUKAZLOBQEBKN-LJQANCHMSA-N 486.623 2.639 30 10 JFEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2ccc(C)c(F)c2)CCOC1 1547854947 FPIIXCFCNYMUDC-HXOBKFHXSA-N 458.538 2.546 30 10 JFEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc(F)c(C)c1 1548369325 ZQUHEWTUCSETDW-LJQANCHMSA-N 484.475 2.650 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(F)(F)F)n2)cc1 1555990191 FMAXZFWKCRRKSC-GOSISDBHSA-N 469.427 2.920 30 10 JFEE COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c2ccc(C#N)nc2)c1 1561877576 IFZUKGFWBNAXBD-HXUWFJFHSA-N 458.540 2.945 30 10 JFEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587786961 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CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1)S(C)(=O)=O 1615282237 AOBLBGKSACBGPO-DENIHFKCSA-N 486.642 2.618 30 10 JFEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)ccn1 1617455135 HQCMZPPHDYLRJN-OAQYLSRUSA-N 477.594 2.713 30 10 JFEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1626676693 DDNYDMBWPAJAFW-OALUTQOASA-N 459.955 2.674 30 10 JFEE COc1ccccc1[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1nccn1C 1628937579 DMBKOIIKQPGRRN-WDYCEAGBSA-N 454.531 2.576 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3c(CC)nc4ccccc43)C2)cc1 1634521796 CGVNMZLLUNGHTG-LJQANCHMSA-N 450.564 2.988 30 10 JFEE CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H]2CCCC[C@@H]21 1642243013 AEJKOUAWGFDKFQ-WQRAYAPSSA-N 459.679 2.863 30 10 JFEE C#CCCN(CCOC)C(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1646484913 HVHUOCQRDZSHFD-UHFFFAOYSA-N 458.990 2.539 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCSCC(F)(F)F)nnc12 1650886285 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30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1690684929 RQRBOLPDYNIQLD-ROUUACIJSA-N 485.589 2.962 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C(C)C)N2CCOCC2)c2ccccc2c1=O 1695899419 DMGWQGMGQJUOLM-SIKLNZKXSA-N 492.628 2.770 30 10 JFEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C1 1698294615 AQGIWAMRVOHNHO-GOSISDBHSA-N 486.985 2.958 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC(F)(F)F 1705484828 XDVAIFHSBAAFAL-SNVBAGLBSA-N 462.245 2.983 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2(O)CC(OCC)C2)c1 1705505831 UNKCQLMXIQOAMU-UHFFFAOYSA-N 463.538 2.833 30 10 JFEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705520193 LCMXBXRWIBJNPJ-VQIMIIECSA-N 491.386 2.783 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705560399 KIAAIWWEEGYNKI-VQTJNVASSA-N 461.607 2.644 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705562882 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30 10 JFEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1740946941 LGXMKJOKFNYWHD-AWEZNQCLSA-N 452.602 2.742 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1740960055 JXUNJFSBSBQNKU-VQTJNVASSA-N 484.674 2.865 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C1 1740974810 PSCWLWJJANAEKG-IBGZPJMESA-N 470.599 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1740992044 LUAHCUAJMHPNJJ-DNVCBOLYSA-N 484.981 2.753 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1741005936 VSWCEJCDFHBNMH-OAQYLSRUSA-N 465.583 2.959 30 10 JFEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)N(C)C(=O)OC(C)(C)C 1741833142 CRRRFVXETKTGHO-INIZCTEOSA-N 476.603 2.553 30 10 JFEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 1744284675 HAAXTJDFNFSOOD-YLJYHZDGSA-N 472.615 2.918 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N1CCSCC1 1748659978 NQWYQOHUYOCFSJ-HNNXBMFYSA-N 498.472 2.544 30 10 JFEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1748757468 CTXJNWHVLDEMOF-UHFFFAOYSA-N 468.627 2.945 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748819293 MEUWTCDSYMNTLK-OAQYLSRUSA-N 487.645 2.757 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748819651 QZUKTPTXUCCEIF-TZIWHRDSSA-N 475.684 2.679 30 10 JFEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)cc1 1748869347 CAIBEWWVVQZRNZ-JPYJTQIMSA-N 456.522 2.566 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCS(=O)(=O)C1 1748903235 WMOKXWPMOJHCAZ-QGZVFWFLSA-N 491.411 2.517 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1748930063 WYOIOUBYIYXNJL-MSOLQXFVSA-N 492.621 2.959 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1749037922 KHLHXURFNGBKHE-UHFFFAOYSA-N 459.566 2.962 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccsc1)N(C)C 1749095275 CSQDFLWUGURENP-MOPGFXCFSA-N 468.583 2.959 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1749170031 ATLGVQJILPIFRR-OAHLLOKOSA-N 472.537 2.810 30 10 JFEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](COC(C)C)C1 1749253009 IBEFAZRJDJOQDU-KRWDZBQOSA-N 483.038 2.929 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cc(C)cn2)CC1 1749293223 FXRIHCZYFLFGMN-UHFFFAOYSA-N 455.588 2.557 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749690127 RNHOSESVMONFNO-OAQYLSRUSA-N 475.615 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749724985 MMPIPYKVJQBOLZ-SFHVURJKSA-N 466.007 2.694 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(Cl)s1 1749734957 OOXLYOVCCCPGDE-CQSZACIVSA-N 493.076 2.522 30 10 JFEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)CCO1 1750386450 GYESGQYXFAGFPI-ZWKOTPCHSA-N 460.991 2.876 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760147330 NNNTWDUHRGYDEE-MRXNPFEDSA-N 496.431 2.648 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760148051 MSWSWSJTRACPTG-UHFFFAOYSA-N 463.586 2.822 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CNC(C)=O)C1 1760158660 PJLJSHPXMXCBDE-QGZVFWFLSA-N 466.369 2.919 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760186570 DPQORIKZKRKJTM-IRLDBZIGSA-N 472.611 2.984 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(CC)CC 1760241761 IYCBPSVDLGSOHV-AZUAARDMSA-N 461.607 2.689 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@H]2CC)CC1 1760264775 FFMYAPMNZWVULO-QUCCMNQESA-N 456.635 2.989 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760299713 FOWPBQVAZHIPMK-ZDUSSCGKSA-N 466.302 2.970 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC[C@@H]1C 1760351755 LAYJNHKRVCOZMY-KRWDZBQOSA-N 465.645 2.730 30 10 JFEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760453036 VZELXRWTCVKPEM-FQEVSTJZSA-N 472.615 2.513 30 10 JFEE 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30 10 JFEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)CC1 2283982746 BLSCBOCMZHEALT-UHFFFAOYSA-N 480.802 2.525 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C 2283985460 JCBKCLAHKGFQLI-IEBWSBKVSA-N 460.380 2.993 30 10 JFEE Cc1cc(CNC(=O)[C@@]2(C)COC[C@@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2283987365 JTNATZIHFWHPOY-HJPURHCSSA-N 480.436 2.902 30 10 JFEE CC(C)(C)OC(=O)NCC[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2284063251 PVGLZLJWKWQOAA-LLVKDONJSA-N 494.345 2.681 30 10 JFEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c(C)c1 2296103262 YSMNIWDXTPLJFZ-XMMPIXPASA-N 496.560 2.775 30 10 JFEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(OC)cc2OC)cc1 2296157178 PKSBYPDORZXRAI-QFIPXVFZSA-N 471.506 2.533 30 10 JFEE NS(=O)(=O)c1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1 2296989366 UEPFOGSACCGWHY-UHFFFAOYSA-N 469.544 2.820 30 10 JFEE CN(C)C[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317259463 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CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 521711471 AQMXKDGGTQLTNJ-UHFFFAOYSA-N 478.530 2.575 30 10 JFEE C[C@H](CC#N)NC(=O)c1cc(I)cc(I)c1O 701293023 NWEHNHZARJJSTB-ZCFIWIBFSA-N 456.021 2.633 30 10 JFEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCO[C@H]1C(=O)O 757202476 TXKXXJPATVHOMC-YRUKQIKQSA-N 476.529 2.913 30 10 JFEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 832695606 AHTCCDPYIXMEQF-NWDGAFQWSA-N 481.983 2.999 30 10 JFEE COc1cccc(NC(=O)CCSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)c1 1084195244 MEAOUBPZFVKLAF-UHFFFAOYSA-N 471.591 2.962 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1 1137780988 CQDNRFSSTGMOKH-GMKZXUHWSA-N 451.592 2.629 30 10 JFEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCN(C)S(=O)(=O)CC 1286365050 POWWJPFZZRFHNS-UHFFFAOYSA-N 472.384 2.588 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394083 GOSGZPYFPYPOQD-TUNNFDKTSA-N 497.621 2.561 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCO[C@@H]1C 1286469803 ZQCZHAFYWJDQSN-QVKFZJNVSA-N 469.369 2.790 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(O)CCC2)CC1 1286489183 INFHIPGMYVOXNF-UHFFFAOYSA-N 471.989 2.878 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1286489430 SEGLPMSQALYOIU-UGKGYDQZSA-N 481.597 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1286492239 FLSODADAISTRID-OAQYLSRUSA-N 450.631 2.963 30 10 JFEE C#CCSCCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1C(C)(C)C 1286512986 PNHSSKLKOKFWJW-UHFFFAOYSA-N 461.657 2.594 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1286523194 RDVGMDKISHKCRB-NFBKMPQASA-N 489.667 2.763 30 10 JFEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286708457 UWWSLGGLBURRGT-HXUWFJFHSA-N 452.563 2.765 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(F)(F)C1 1286782349 RYGNJBGQWVHWFZ-UHFFFAOYSA-N 456.291 2.864 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286783378 QASBNWDLBDCGSX-GOSISDBHSA-N 490.992 2.631 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CCS(=O)(=O)CC2)C1 1286806654 WJVQDHBQUMISBO-LJQANCHMSA-N 476.599 2.568 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1286988473 CDVVYAQVPKZAIF-RTWAWAEBSA-N 487.626 2.851 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1287597115 DCKOEEWLUJRZPO-UHFFFAOYSA-N 468.558 2.722 30 10 JFEE C[C@H](c1nccs1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1288506558 GFEPXDQYYQJJKH-GOSISDBHSA-N 494.625 2.547 30 10 JFEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N(C)C(=O)OC(C)(C)C 1288614294 CVWFXEYQDHGSDR-IAGOWNOFSA-N 490.630 2.941 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)C[C@H](C(F)(F)F)O1 1291224666 CPYXRWXEIHBFKE-RDTXWAMCSA-N 474.443 2.996 30 10 JFEE CN(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1c(F)cccc1F 1298025771 FXPDDXAXCISYPI-XLIONFOSSA-N 492.596 2.891 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C(=O)OC(C)(C)C 1300281403 CKHSUJDLVUJAGQ-KRWDZBQOSA-N 490.630 2.520 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cnccc2OC)c1 1300334236 IZKGBSAVFKKOHT-LJQANCHMSA-N 460.538 2.680 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1300345092 OCJAELYFQSCURP-WZONZLPQSA-N 458.584 2.536 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1300345230 QPEGLUCUEHKCOB-UHFFFAOYSA-N 499.559 2.893 30 10 JFEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300357940 CISRWJNCHMWIOX-UHFFFAOYSA-N 461.614 2.887 30 10 JFEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300372768 VIVQVUPHCFQPBK-HXUWFJFHSA-N 490.402 2.764 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC2(CCOCC2)C1 1300391727 SAEHAFHWGSIYPH-UHFFFAOYSA-N 460.625 2.864 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1c(C)nn(C)c1C 1300402873 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C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CCOC 1301044433 JGXCUPRYWKWRLM-INIZCTEOSA-N 454.959 2.705 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)CC1 1301150200 NSASWZCISJLVRG-UHFFFAOYSA-N 475.619 2.729 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301270093 CFRCQXDSYDYPSH-WBVHZDCISA-N 497.463 2.873 30 10 JFEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1)C1CC1 1301316514 DVCXORFIRISNQU-UHFFFAOYSA-N 452.378 2.783 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1301483698 UQQQONCOHBLBEC-LJQANCHMSA-N 475.615 2.851 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1301491998 UPGGPKOYHAJXJG-HXUWFJFHSA-N 450.518 2.967 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NC(=O)CCC)CC1 1301492349 FZAHSLOOCYHEDR-UHFFFAOYSA-N 461.570 2.681 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1301545288 DWXGJZUEKYYRQV-WOJBJXKFSA-N 488.036 2.718 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 1301568327 RGQAMQHLQZKBRU-UHFFFAOYSA-N 487.960 2.698 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301576798 BJQCFPRNAVNYOS-UHFFFAOYSA-N 483.594 2.718 30 10 JFEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCOC2=O)cc1 1305720244 CNMZMFAZXKILRU-INIZCTEOSA-N 453.547 2.940 30 10 JFEE CCc1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(C#N)c(Br)c3)C2)ncn1 1309163695 ICIMBRHBEATBES-HNNXBMFYSA-N 450.362 2.620 30 10 JFEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)cn1 1313844940 FELGPFYZMYLOLZ-UHFFFAOYSA-N 474.491 2.678 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2CCCCO2)C1 1314005676 DSNPXCDAPSODOL-SFTDATJTSA-N 472.615 2.684 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Br)cc2)C1 1316530756 FSJLZDZSAUTFTF-FQEVSTJZSA-N 461.339 2.848 30 10 JFEE CN1CCN(C(=O)c2ccc(NC(=O)COc3cccc(Br)c3C#N)cc2)CC1 1357613959 AUSXDKXQMVEYPN-UHFFFAOYSA-N 457.328 2.726 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1358903795 KBSKATOLXLMIOA-UHFFFAOYSA-N 478.597 2.679 30 10 JFEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1358927823 KERXCLUDQOVHKG-QGZVFWFLSA-N 493.568 2.737 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC1(c2ccccc2OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358955189 GKMKJRHXOOWWEO-GOSISDBHSA-N 456.612 2.943 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358957880 BUCINLFMNHCPRY-RTWAWAEBSA-N 485.585 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2cccs2)CC1 1359042728 RMSULCVSXFVJQR-HSZRJFAPSA-N 485.013 2.929 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1359070095 FHFRIEQKEUNWTI-KSFYIVLOSA-N 461.588 2.524 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCC(C(N)=O)CC1 1359104632 DMSDSCFLDZTVHS-XXBNENTESA-N 469.586 2.939 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359136751 UFOOVNCHDXINKW-OAQYLSRUSA-N 456.522 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490.637 2.601 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(=O)N(C)C)CCCC1 1588647083 RIGRBFXVWKWMHC-NRFANRHFSA-N 467.570 2.525 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2(O)CCCCCC2)n1 1588723341 LASKLPPDVFUNSN-OAQYLSRUSA-N 456.591 2.698 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCCCCC2)CC1 1588856902 DXNKOBKCJFXFEO-UHFFFAOYSA-N 450.631 2.703 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1588946647 GTSYFWNYMUVJNQ-AZUAARDMSA-N 453.562 2.789 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589548221 YGNQLDLFDWKECL-QWIQJREVSA-N 474.989 2.864 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1595555778 GXXDBLPGBDFZLT-LJQANCHMSA-N 482.604 2.785 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1595849610 CXQREWPCAMOWHK-VQTJNVASSA-N 491.683 2.977 30 10 JFEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1595854944 SODDETOZDJVDLE-MRXNPFEDSA-N 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456.568 2.669 30 10 JFEE C#CCN(C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)C1CCN(C)CC1 1630909568 XQZWNKCFBGFPAC-OAQYLSRUSA-N 452.521 2.818 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccnc4ccccc34)CC2)s1 1640523925 HEBZLMKQZCUALX-UHFFFAOYSA-N 456.593 2.652 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)CC1 1643372421 KPNRMLZABSMIHF-UHFFFAOYSA-N 458.411 2.807 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C1CCCCC1 1649538812 HUTFILIJLUSOFE-QGZVFWFLSA-N 485.658 2.796 30 10 JFEE C#Cc1ccc(CNC(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1 1672882217 AIRAMLFKJLOQLA-UHFFFAOYSA-N 455.356 2.896 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 1682281195 BYNPNNZIRRYDDG-VQTJNVASSA-N 453.008 2.551 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)[C@@H](C)CC)c1 1689870514 QRYDEEMNLQEKFE-MRDQGFSESA-N 492.580 2.859 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1689916857 ZJKLVWGVRFDBCM-UHFFFAOYSA-N 474.569 2.616 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689980490 SQFFRSYYTXUGCY-RBBKRZOGSA-N 457.644 2.939 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cn(C)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689980583 UUHKDIMJPFIYCB-WIYYLYMNSA-N 466.611 2.867 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689991244 YXAWYNOGTIFEIO-QRVBRYPASA-N 477.656 2.511 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1689992863 QEMYKJJIUOYVGK-JOCHJYFZSA-N 484.601 2.538 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCn1cc([C@H]2CCOC2)cn1 1690021262 NNGGTCZGSOHTRS-SFHVURJKSA-N 450.493 2.621 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCN2CCC[C@H](C)C2)CC1 1690132253 NBCUAFJLCZSFIX-NRFANRHFSA-N 483.686 2.537 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC=CO2)CC1 1690139478 OPQQILCTWMUHLX-HXUWFJFHSA-N 465.554 2.621 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)CCS(C)(=O)=O 1690240532 HAGORUJVOCPGSD-RXVVDRJESA-N 476.599 2.568 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690245604 KICKIBWAUIUEDT-DXIQSLLYSA-N 487.626 2.545 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690319892 CLIDWKHMMOLBND-OALUTQOASA-N 497.662 2.956 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690497693 VUAARMJVBLYROO-SFHVURJKSA-N 469.590 2.649 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N1CCSCC1 1690517928 UMLLGTKZHDIPGC-UHFFFAOYSA-N 473.571 2.547 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1690622555 RYANLUQILSRMKT-HXUWFJFHSA-N 489.621 2.624 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(c2nc(C)ns2)CC1 1690676428 ZSOAVGGJRCQKIO-UHFFFAOYSA-N 496.641 2.653 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)CC1 1690715919 XVJQSYSNKCIFNA-MRXNPFEDSA-N 498.005 2.561 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(F)(F)F 1690723131 IXYIYXNPJWXFIJ-UHFFFAOYSA-N 498.531 2.835 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 1690725507 SGUXRPXAFTYHQX-UHFFFAOYSA-N 480.631 2.711 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1692348577 AJQLHJSFTUABPN-UHFFFAOYSA-N 498.653 2.987 30 10 JFEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1)OC 1693956863 FHVPNDBORSHVEA-KNQAVFIVSA-N 467.618 2.524 30 10 JFEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CCN1CCOC 1695142811 ATYWEDLPGOKENS-DEOSSOPVSA-N 495.672 2.865 30 10 JFEE CCCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695203687 DRRHARQNTUNAOK-FPOVZHCZSA-N 467.622 2.628 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)c1 1705505674 RGLIADINXZOSIQ-FUHWJXTLSA-N 456.497 2.721 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705535123 BHFHDGXERSQKJF-UHFFFAOYSA-N 470.568 2.695 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705632746 ANTQNGIWEAHAOB-XUZZJYLKSA-N 484.620 2.669 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 1705650140 NBNCZBJHJVQHME-DENIHFKCSA-N 454.644 2.951 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1705650568 UUEGVZKACNKBAK-QFIPXVFZSA-N 485.636 2.750 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705664715 YTMDICVUCCMGGD-CALCHBBNSA-N 465.373 2.548 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705694922 UNOGWCXMQMTNCP-OTWHNJEPSA-N 473.647 2.737 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705703871 XBLUMVWSEMDRMG-NZQKXSOJSA-N 458.651 2.592 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1705725720 OHENMVZALNSXRG-ROUUACIJSA-N 462.595 2.658 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705754228 STHIJWBLSURYPW-GVDBMIGSSA-N 464.998 2.860 30 10 JFEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(CC(=O)N3CCN(CC)CC3)CC2)cc1 1705910116 RRECVWPWDBBMAY-UHFFFAOYSA-N 466.630 2.970 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 1705914167 HZDBHYWMKFOWQN-FQEVSTJZSA-N 469.590 2.776 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCn2cncn2)C1 1705920738 DHNCAZCYVMCFBI-MRXNPFEDSA-N 474.363 2.789 30 10 JFEE CCCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C#N)C1 1709837908 GVADMGARGYHXTG-FUHWJXTLSA-N 460.966 2.943 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CCC(O)CC1 1722284961 QZFXMKIVFHOCEJ-LJQANCHMSA-N 466.630 2.659 30 10 JFEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1722335591 FXJHAYPCQYPPHM-GOSISDBHSA-N 455.632 2.719 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1722365681 OXWNGPQVMXCFAU-YFNKSVMNSA-N 497.665 2.705 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CC 1722380556 PXFLENQDUVWBTE-FQEVSTJZSA-N 457.582 2.793 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2Cc2cccc(Br)n2)n1 1722429710 QKFFZCIVFYEJKH-UHFFFAOYSA-N 470.375 2.844 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2Br)CC1 1722450951 UIZQFRRYIZYHBW-UHFFFAOYSA-N 460.376 2.591 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722499085 HHOIQIKNFNRQBB-FUHWJXTLSA-N 459.513 2.691 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1722501922 HDWJQTGHQHAGRR-JTHBVZDNSA-N 452.603 2.896 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722537188 MCGBKEXXJFNLRC-IBGZPJMESA-N 475.615 2.524 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722546121 VFWDWLWNJTVMQT-IERDGZPVSA-N 458.994 2.695 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1722572271 OMHHKFYNWYZDFB-MOPGFXCFSA-N 494.662 2.931 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(N2CCOCC2)n1 1722677638 DHSAPVLSJQOVMT-UHFFFAOYSA-N 459.554 2.735 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)C1 1722715632 UQOYFEZECFTZSF-SJORKVTESA-N 498.575 2.555 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=C)Br)C1 1722718488 SMZMWNNOGMNRIA-KRWDZBQOSA-N 457.336 2.611 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nccs2)CC1 1723660459 GKIGDJLUTUVXPL-UHFFFAOYSA-N 485.639 2.985 30 10 JFEE COc1cc(OC)cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1730014043 HOBVFCFJFLRUDO-KRWDZBQOSA-N 459.572 2.527 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2CCC(OC)CC2)c1 1740561772 BNADAQQBFHJPBY-UHFFFAOYSA-N 459.554 2.997 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1740622937 LEFDYKLQUCSLLR-VQTJNVASSA-N 479.647 2.723 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1740624843 BGHUPFYUPAGRHU-QFIPXVFZSA-N 484.670 2.927 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740625949 JGRADHPWRVKPKC-YSTOQKLRSA-N 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C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCN2CCCO)CC1 1740691535 HJHAWCGTUMTRJH-LJQANCHMSA-N 477.440 2.854 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1740691833 ADWGCPNSALMEBU-ONBPZOJHSA-N 486.705 2.832 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 1740704290 NDZPUJUMPJKEEX-FQEVSTJZSA-N 463.611 2.670 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1 1740761104 MBEGJJUPKJBUQI-ZOBUZTSGSA-N 462.538 2.940 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1740794482 BPFQVURYZYKYIO-RTBURBONSA-N 497.662 2.514 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)ccc2OC(F)F)C1 1740970389 KHMCSUBTGBKLGY-SFHVURJKSA-N 477.512 2.954 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1741005252 GETIQOQJPKXQNS-KRWDZBQOSA-N 473.628 2.500 30 10 JFEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CC1 1741101681 FUNBPZXKXVNZDV-UHFFFAOYSA-N 459.554 2.833 30 10 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C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2ccnn2)CC1 1749342346 FAHXVWXLSWETEZ-LJQANCHMSA-N 472.594 2.671 30 10 JFEE COCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1749406105 DHNCQYDBSWBANH-SFHVURJKSA-N 463.485 2.718 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)COCCO1 1749528387 NMCZTZVVZVSKQN-VWLOTQADSA-N 478.553 2.932 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1749532446 STDULORKXDMQNF-LJQANCHMSA-N 466.542 2.827 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1749663968 UQWMECZDEYNIOK-UHFFFAOYSA-N 476.629 2.991 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1749686974 IBZSIIWFYRLJKU-UHFFFAOYSA-N 475.553 2.501 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1751094242 GSPSGTAJZSALDY-HKUYNNGSSA-N 494.662 2.956 30 10 JFEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccc(F)cc1 1751121119 BBBQMHVCOQDGGD-NYHFZMIOSA-N 453.453 2.974 30 10 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C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CCC1 1760218618 JZWXYLIDNMWUAD-HXUWFJFHSA-N 466.607 2.774 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760220676 RUCGUXUFZLCZKV-JOCHJYFZSA-N 489.542 2.994 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1760244470 WTWZZPYMQRJWNN-JOCHJYFZSA-N 475.641 2.914 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C2CCCCC2)CC1 1760267479 NJNDNQPFNRCKLB-UHFFFAOYSA-N 487.608 2.574 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NCCOC)CC1 1760304113 JENGBEAODCFGJS-UHFFFAOYSA-N 466.355 2.972 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760309641 DJLRDTLPVOQBBF-GFCCVEGCSA-N 462.439 2.802 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760341164 DZKIKFMHIVUVLB-NRFANRHFSA-N 472.037 2.654 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760357211 GQUKASVOFLXDDW-SFHVURJKSA-N 481.523 2.812 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1760412730 QDNGQCMQIANVOZ-FGSXEWAUSA-N 451.637 2.982 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760438004 VTEQAZSQXVFCMJ-KRWDZBQOSA-N 470.599 2.655 30 10 JFEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760445995 CIYRVCLPYWFDSR-UHFFFAOYSA-N 451.575 2.993 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760510098 GCLDULMQPADWAF-RBUKOAKNSA-N 476.622 2.761 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760515099 AQEPDFDPTSNDHJ-OSPHWJPCSA-N 487.004 2.849 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760527745 HJQUTTHWYSRBEK-IVZQSRNASA-N 496.395 2.850 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1CC 1760550888 MVHXPVKDPVBNRD-QGZVFWFLSA-N 480.660 2.526 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760552911 FWTVLJUKJOGXOV-NRFANRHFSA-N 483.642 2.979 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1760564694 FOWMGYHCEJYUCI-NRFANRHFSA-N 485.654 2.991 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1(C(N)=O)CCOCC1 1760806878 BBFTTZFXDHFAJM-RTBURBONSA-N 458.607 2.609 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760862903 BERNKIHHASNYMU-DEOSSOPVSA-N 453.591 2.854 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1764983456 DTIKHBDKYAOXFU-HHHXNRCGSA-N 493.656 2.748 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1767577747 HVEBQERWWNWGHZ-YVHKJVDXSA-N 477.562 2.693 30 10 JFEE CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1768254235 HJAZJZCEEJYDKW-UHFFFAOYSA-N 474.606 2.783 30 10 JFEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccsc2)CC1 1771367864 ABMNEZNFPDPYLQ-UHFFFAOYSA-N 456.597 2.811 30 10 JFEE CC(C)(C)OC(=O)N1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)(N2CCCCC2)CC1 1772793982 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COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3cccc([N+](=O)[O-])c3)CC2=O)cc1 2325882741 KSIAXVFLUJVOBD-INIZCTEOSA-N 482.522 2.682 30 10 JFEE COc1cc(C=Nn2c(CCc3ccc(OC)c(OC)c3)nnc2SCCO)ccc1O 2326220553 QNHYYGNNGUZBOL-UHFFFAOYSA-N 458.540 2.761 30 10 JFEE Cc1ccccc1OCCCc1nnc(SCC(N)=O)n1N=Cc1cccc([N+](=O)[O-])c1 2327081463 HMVYNKFJOADUBW-UHFFFAOYSA-N 454.512 2.966 30 10 JFEE NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2329086655 GIOFWJHPOVAQHF-UHFFFAOYSA-N 488.913 2.661 30 10 JFEE COc1cc(OC)c(OC)cc1C=Nn1c(SCC(N)=O)nnc1[C@@H](C)c1ccccc1 2330087964 UDEHPPCYNHIESE-AWEZNQCLSA-N 455.540 2.915 30 10 JFEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H](C)c2ccccc2)cc(OC)c1OC 2330089960 JBHGAFNVAFWSKS-AWEZNQCLSA-N 455.540 2.915 30 10 JFEE CC(C)(C#C[C@@H](O)c1cc(Br)ccc1I)S(C)(=O)=O 2339662513 NDMUTYZLTMMLEX-GFCCVEGCSA-N 457.127 2.914 30 10 JFEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2360575056 ICCYGRBAFMTEHA-DLBZAZTESA-N 459.406 2.717 30 10 JFEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364944389 VPROFIZHJDVLLI-IBGZPJMESA-N 457.380 2.930 30 10 JFEE COc1nc(O[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2365372120 ARMXLKJJUWMFCM-HYVNUMGLSA-N 464.368 2.839 30 10 JFEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc(Cl)ccc3O)n2N)c(C)c1 21320215 PMTLQVPZVSLQQD-LSFURLLWSA-N 461.935 2.845 30 10 JFEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c(O)c1 21325881 ORBMZEIRIAKBFP-FRQJIFLKSA-N 482.614 2.959 30 10 JFEE C=CCN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN([C@H](C)C(=O)NCc1ccco1)C2=O 96279616 RKFGJOUBZNSTOD-JLTOFOAXSA-N 454.914 2.987 30 10 JFEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 102705330 FZYVKSADJBXFPL-SADKCHQCSA-N 470.522 2.704 30 10 JFEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 103220696 NVAPZYYRSQLGRM-VFJWVMJUSA-N 481.505 2.747 30 10 JFEE N/C(CCN(C(=O)c1cc(I)ccc1Br)C1CC1)=N/O 236323925 VWDKARYBKBWXPJ-UHFFFAOYSA-N 452.090 2.795 30 10 JFEE N/C(=N/O)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 236325245 QFIKVGLJJXXOHN-NSHDSACASA-N 452.090 2.795 30 10 JFEE COc1cc(OC)cc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2CCc2ccccc2)c1 254740049 LSUAWZZJGAILAM-PMACEKPBSA-N 460.577 2.657 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC(F)F)c2)c(=O)n1-c1ccccc1C 590943665 VVNJOYORXKOZSW-UHFFFAOYSA-N 497.523 2.623 30 10 JFEE N#C[C@H](C(=O)CNC(=O)CC1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 749047359 GKXCKPWOMUZICQ-OAQYLSRUSA-N 488.610 2.595 30 10 JFEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@@H](C(=O)O)C1 757202538 UNURGLCJJKEHKY-MHECFPHRSA-N 476.529 2.867 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCSCC(=O)O 757362240 RQUFEFKTAVLKRK-NRFANRHFSA-N 452.532 2.851 30 10 JFEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccc(C)cc3)n[nH]2)c([N+](=O)[O-])cc1O 1084214671 GZZBUWIDKDPBQR-UHFFFAOYSA-N 471.499 2.590 30 10 JFEE O=C(c1cnnn1-c1cccc(F)c1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1130209168 CKIRJOAORVFBGZ-MFKMUULPSA-N 453.318 2.620 30 10 JFEE C#C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)C1CCOCC1 1131256786 GJTHIJVNKFYATQ-RPWUZVMVSA-N 452.576 2.655 30 10 JFEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 1167783965 BFVXORAIHOHVAV-RUZDIDTESA-N 459.594 2.598 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1273306224 VYVLNYSORUWJGT-MCIONIFRSA-N 463.419 2.761 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286336863 PJGRNAKTLLXRFL-XMMPIXPASA-N 461.614 2.799 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286340177 UQZSLRYNWGFQRO-UHFFFAOYSA-N 473.599 2.677 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286389659 OFASXRCEJPZCCU-YADHBBJMSA-N 484.670 2.930 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1286395003 YNVAUJVGVGAFGH-XZOQPEGZSA-N 484.670 2.545 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)cc1 1286432144 YWIDQYVTQLLOFR-OAQYLSRUSA-N 453.612 2.538 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(N(C)C)CCSC1 1286456372 PXOBZJZWIMBMIV-QHCPKHFHSA-N 451.575 2.951 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)NC(C)C)CC1 1286484170 FNLMVIRQBPGODP-UHFFFAOYSA-N 452.603 2.569 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1286484642 MTUGUNYRJAFPJZ-NRFANRHFSA-N 483.686 2.535 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286506094 PWYXJPZXOMLEQV-UHFFFAOYSA-N 487.073 2.633 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1286546301 IGDBYVPOVOLQAQ-NQIIRXRSSA-N 484.601 2.733 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl 1286580747 BPTXCWJROQYPAX-SIKLNZKXSA-N 498.049 2.575 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286593575 PSHSNJAPOKAPKU-HXUWFJFHSA-N 452.607 2.913 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286612906 MBSBEHWUVLASCQ-MRXNPFEDSA-N 481.384 2.970 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286613407 ZQWOWDBAQSPTNL-UHFFFAOYSA-N 452.552 2.602 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1286773297 MWAQWTUIXXHDHR-IBGZPJMESA-N 457.600 2.965 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286778040 UPHQODMPGRZDFC-QGZVFWFLSA-N 465.645 2.873 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286821188 CXXZUSQRZCHXRC-YZZKKUAISA-N 495.045 2.896 30 10 JFEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1294977204 HTXNUJODCBGZEY-UHFFFAOYSA-N 489.580 2.780 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300276199 IYUBTLLWBXCZGI-AOMYARPXSA-N 456.453 2.531 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(S(C)(=O)=O)cc1 1300276487 NNCLTUPBZRXJFI-AWEZNQCLSA-N 476.400 2.956 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1300478901 GBHAMOYSDSKDEX-HXUWFJFHSA-N 487.626 2.589 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1300498511 KVDSZDAGIJTZTQ-IBGZPJMESA-N 471.558 2.542 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1300503825 GEDXRMROEQIITJ-JOCHJYFZSA-N 479.606 2.852 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1300579338 UABAVUAKAJRSAJ-GOSISDBHSA-N 491.013 2.752 30 10 JFEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 1300591977 XSAOFEJQMKXENM-SANMLTNESA-N 463.651 2.734 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(CCN(C)C)CC1 1300597960 XPCZRKAKMXXXMD-UHFFFAOYSA-N 465.646 2.880 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1300691097 OKHVQVUSIMRRHJ-QHCPKHFHSA-N 454.937 2.796 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC2CCCCC2)CC1 1300725802 KEAGCWCZKFSGNY-OAQYLSRUSA-N 457.619 2.877 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300744797 APUUOEDWVFJNDK-UHFFFAOYSA-N 464.986 2.953 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1300756190 IBGGWCUJYANEQO-HXUWFJFHSA-N 455.584 2.652 30 10 JFEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1301085429 JVUDTYZFBAIWOY-SFHVURJKSA-N 479.647 2.984 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301187734 AYWRZSAYRYOVQB-QGZVFWFLSA-N 453.609 2.594 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1301490050 KGRDLMWTTKXPRK-UHFFFAOYSA-N 491.596 2.526 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301502574 KTONTNGBFHKVNC-OAHLLOKOSA-N 470.927 2.897 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1301524760 DGRLICQGAVBNAF-UHFFFAOYSA-N 461.570 2.729 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCCO1 1301568898 LOXFVAALSVJZKZ-MRXNPFEDSA-N 486.436 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(=O)OC)C1 1301569602 ZZDRFIGUYUUBHF-MOPGFXCFSA-N 476.599 2.635 30 10 JFEE Cc1ccsc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1304069038 CJZYZHNLKOVDCP-UHFFFAOYSA-N 463.611 2.640 30 10 JFEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCN(C)C(C)(C)C1 1306147039 BVAOAJVTCJUWFM-UHFFFAOYSA-N 451.619 2.786 30 10 JFEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1316335556 FNQRCQCTBWDNNB-IBGZPJMESA-N 484.557 2.833 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)cc1 1357310131 PWBXKVXUAIAGES-UHFFFAOYSA-N 452.573 2.960 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358956289 DAZNKOOQNVSAGD-YLJYHZDGSA-N 464.035 2.956 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358959000 ZSSGFSKFCQRSHB-VQTJNVASSA-N 459.616 2.738 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358997734 CGXBWBWKXMTEKI-UHFFFAOYSA-N 492.555 2.714 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 1358999217 KCSYEGGDZRDUBJ-ZRZAMGCNSA-N 497.688 2.539 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359012115 ZPPMICWVOZWJRT-HKBOAZHASA-N 466.586 2.748 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H](C)CN1CCOCC1 1359021925 HEECIGSHNKMYKO-GOSISDBHSA-N 476.419 2.762 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 1359044242 AJTQADTZTVGYJQ-SFHVURJKSA-N 477.487 2.695 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1359065496 RWGPBMJSRSJGQB-YADHBBJMSA-N 452.621 2.524 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1359090672 DYHHVESAYCZSFY-YYDVJCTNSA-N 487.576 2.833 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1359130192 BBNKEXGUONHIBP-UHFFFAOYSA-N 453.522 2.802 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359184528 RNMPJZWDKSCXCD-UHFFFAOYSA-N 462.576 2.974 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359188984 YELADLSYYBGYNP-LJQANCHMSA-N 471.627 2.944 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1359275383 SMMPXDXGQOSFKC-LEWJYISDSA-N 491.683 2.742 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359305225 WULDYDOHNVPQMK-KRWDZBQOSA-N 488.564 2.744 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359311356 YPXUHFZMAATQQA-OAQYLSRUSA-N 467.595 2.885 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cnnn2C)C1 1359316638 SVQDYYYOJNENGV-IBGZPJMESA-N 453.547 2.699 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1359342398 WWCOIHJRKVQJBI-LJQANCHMSA-N 484.626 2.510 30 10 JFEE C=CC[C@]1(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCCN1C(=O)OC(C)(C)C 1439313448 UAHSSOOKBNBCGC-JOCHJYFZSA-N 451.589 2.568 30 10 JFEE C#CC[C@]1(C(=O)N=c2cc[nH]cc2I)CCCN1C(=O)OC(C)(C)C 1446085668 BPRVFPJUXCXASH-GOSISDBHSA-N 455.296 2.840 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 1449155056 DSURRWQTUGYXQT-ZACQAIPSSA-N 459.971 2.919 30 10 JFEE CCOC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1C#N 1458154257 IBMPSZOIKSPCBX-HNNXBMFYSA-N 450.451 2.889 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 1465542885 OFGYLRZMQVYFOL-HNNXBMFYSA-N 459.952 2.767 30 10 JFEE CO[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N)C(C)(C)C 1503970400 IFONBWWENZSWDT-VQIMIIECSA-N 462.620 2.995 30 10 JFEE COc1cccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)N2CCCC2)c1 1504323163 AKKKADVQRIGSDF-UGKGYDQZSA-N 465.602 2.956 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOC(C)(C)C1 1507534717 ZKJFUXXKDSSLKC-LJQANCHMSA-N 474.650 2.961 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@H]2CCCS(=O)(=O)C2)c1 1507546155 DQNOPCQYZIFGPG-IEBWSBKVSA-N 457.600 2.673 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN2CCCC2)c1 1507550256 IIZZESOSAQNEAK-IRLDBZIGSA-N 464.614 2.960 30 10 JFEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507568866 ZUSDJZJHEDVUSU-OAQYLSRUSA-N 471.627 2.685 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(C)nc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1507622571 JQAISKRCFVZFEF-NQIIRXRSSA-N 470.643 2.770 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1507640463 STRUVUABQZOIFI-OAQYLSRUSA-N 481.647 2.855 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCCCC1=O 1507676215 LXEOLSLYWCINJX-OYRHEFFESA-N 482.629 2.914 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccn(C)n2)CC1 1507736784 SZTMYVAATSHSLS-KRWDZBQOSA-N 481.988 2.819 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)CCC)CC1 1507748365 NDTOJVBDYFSSHB-UHFFFAOYSA-N 489.667 2.600 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1507760339 YAWSLEZKNKMUSZ-RTBURBONSA-N 468.689 2.967 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507884933 NYKRLWBRUUQURW-QZTJIDSGSA-N 465.620 2.736 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507916403 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30 10 JFEE CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2335466098 JYDCCKPAXXKKPQ-OAHLLOKOSA-N 467.312 2.835 30 10 JFEE COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2364213250 FTSRWKJETZOGKO-PEBXRYMYSA-N 481.424 2.587 30 10 JFEE Cc1cc(CNC(=O)CCN(CCO)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2368590960 MPRZADSAZDKYKN-UHFFFAOYSA-N 462.396 2.530 30 10 JFEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@](C)(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2373492660 FVNFFHDCCORCML-WATLYSKOSA-N 472.586 2.566 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)c(C)c1 6302107 GGPIEZAUIZWJPT-FEYWKWKCSA-N 496.560 2.775 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C34CCCC4)cc2C1=O 12400766 GHJQQTYEFLWTRR-UHFFFAOYSA-N 473.485 2.924 30 10 JFEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)ccc1O 21326644 AYDGJICBNVFKRI-XMTZNVEYSA-N 455.544 2.512 30 10 JFEE COC(=O)CN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)O)c2)S/C1=N\c1ccc(F)cc1 58944378 FMWFLHCGHRHHCG-VRYNMQIDSA-N 459.455 2.657 30 10 JFEE C=CCn1c(=O)c(N2CCC(NC(=O)Nc3cc(C)ccc3C(=O)OC)CC2)nc2cccnc21 64579455 IUTCKCVFLFITSA-UHFFFAOYSA-N 476.537 2.863 30 10 JFEE 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](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2C 238731407 MHTPILXDDYFGCC-FIDWFZPYSA-N 480.598 2.789 30 10 JFEE Cn1c(=O)c2c(nc(NN=Cc3ccccc3O)n2Cc2cccc3ccccc23)n(C)c1=O 254567855 UDNNGTOZUQEYND-UHFFFAOYSA-N 454.490 2.787 30 10 JFEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 526758579 FPQHGXBXUXJYAU-HXUWFJFHSA-N 468.462 2.962 30 10 JFEE CN(C)S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1ccc(I)cc1F 586319430 RSZKKKFSSSXQLU-UHFFFAOYSA-N 473.267 2.755 30 10 JFEE C#CCN(C(=O)c1cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 729330821 FTUJVZMQIFRRQR-ZIAGYGMSSA-N 495.450 2.723 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnc(-c3ccccc3Br)o2)c1 753642054 AIECDVREEMITRH-UHFFFAOYSA-N 476.308 2.768 30 10 JFEE C=CCn1cc(C=NNc2nc(SCCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)cn1 1084398085 PMFKURXHRPRBCK-UHFFFAOYSA-N 453.532 2.713 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N3CCN(CC)CC3)cc2)c1 1136483631 VYZKWBLABKZPMQ-UHFFFAOYSA-N 453.564 2.514 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 1143326547 KHIMIQVTPDVMBY-GOSISDBHSA-N 457.571 2.866 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1286277000 VPLCEAIZEPQQQN-POGFHVCPSA-N 467.614 2.770 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286348268 VSVXSIRYZNZGPS-UYAOXDASSA-N 485.633 2.846 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286388426 OVIYLIDQCPZPSJ-FQEVSTJZSA-N 459.616 2.739 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccc(O)cc1 1286467250 ODZBQHKNNJJOKC-NRFANRHFSA-N 485.585 2.621 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)n1 1286471602 OAAOSUGKIJCYSU-XMMPIXPASA-N 484.988 2.887 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1286482682 VESOVWMQBAXUHH-LJQANCHMSA-N 473.647 2.550 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286505085 WNZDGBJMFFIVEB-UHFFFAOYSA-N 481.601 2.831 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)C1 1286552398 QHXRDHARSWCTBN-SCLBCKFNSA-N 464.339 2.764 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(=O)(=O)NC)CC1 1286641162 SIDAHOQPEVJEGO-UHFFFAOYSA-N 454.394 2.722 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)NC)CC1 1286705814 FVMVOZGYOZQASM-UHFFFAOYSA-N 454.575 2.702 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286778492 BINVASTTZYTHRJ-YLJYHZDGSA-N 466.517 2.912 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](SC)C1 1286780618 GQONOTWKEBKFGU-SFHVURJKSA-N 477.034 2.886 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C2CCCC2)CC1 1286784063 VQDXJVOAVWHCJA-UHFFFAOYSA-N 468.602 2.719 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286792383 WFZZLOUPLIEMEG-UHFFFAOYSA-N 489.502 2.957 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)cc2)C1 1286809769 LCGKKWLMFFRJKW-MJGOQNOKSA-N 450.992 2.858 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCCO)C1 1286810933 XVMGRZZYOWHBOW-RTBURBONSA-N 465.595 2.530 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1286988471 CDVVYAQVPKZAIF-LEWJYISDSA-N 487.626 2.851 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1=O 1287775750 DHDSPIBPKUKGRO-OAQYLSRUSA-N 450.543 2.726 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2([S@](C)=O)CC2)c2ccccc2c1=O 1288516347 ANNZZKVCFVLRCA-KXSVPLAASA-N 467.599 2.885 30 10 JFEE COc1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1S(=O)(=O)N1CCCC1 1295934637 BLNGDIBIEYDWEU-NRFANRHFSA-N 455.536 2.565 30 10 JFEE C#C[C@H](NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)[C@H]1CCCO1 1296701519 OMVCKPBRHSMRAT-FDFHNCONSA-N 452.555 2.664 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnnn1C 1298283541 GXWOXRDPVBHMPH-UHFFFAOYSA-N 452.320 2.721 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300495664 JEDSMBOVPUQVMH-LJQANCHMSA-N 460.600 2.559 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300504777 RWXRHLILWKKHBT-OAQYLSRUSA-N 486.638 2.741 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC(F)F 1300537745 JPFFXSRBJKOPES-CQSZACIVSA-N 468.913 2.556 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNC(=O)c1cc[nH]n1 1300656595 JWRWLYNEAPICQM-UHFFFAOYSA-N 467.599 2.515 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cc(F)ccc2F)n1 1300681339 NLRADLFROSRKMT-KRWDZBQOSA-N 456.497 2.591 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](CC)OC)CC1 1300689277 TWLBCMRSWIQVQN-INIZCTEOSA-N 462.392 2.896 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1301058826 HUQCXICTEBTHBA-GOSISDBHSA-N 451.980 2.534 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301484141 BQDHTWGVHBSUQB-RDTXWAMCSA-N 478.391 2.880 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN2CCCC[C@H]2C1 1301491936 RYROGHVQIWVASE-INIZCTEOSA-N 459.392 2.684 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 1301519130 RDDLCYZSNNMCHB-IBGZPJMESA-N 463.586 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301577993 WPDVADSWGREHGV-AWEZNQCLSA-N 461.510 2.520 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC)CC1 1301589882 ZGKTXDVXSJCDDV-UHFFFAOYSA-N 473.647 2.679 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H](C)N(C)C1CC1 1303372928 CNWCWJCFBQOKAO-SFHVURJKSA-N 465.602 2.818 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCNC(=O)Cc2cccc(F)c2)C1 1303939442 FNRLDFFETYKCIZ-RUZDIDTESA-N 461.545 2.892 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1358920312 WTYVYIRFDNKCKX-UONOGXRCSA-N 458.009 2.595 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358952854 AHTCQBHHHNYSTH-IBGZPJMESA-N 459.616 2.640 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358959219 DYSQFYKZQYXHRT-LJQANCHMSA-N 467.595 2.671 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1358959591 LWIURGBGPSNWKN-QFIPXVFZSA-N 490.589 2.676 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358961543 ARKSVTYJFSUQNM-ICSRJNTNSA-N 479.002 2.879 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1nc(C)cc1C 1358979513 PEULAPLLLXPDKB-NRFANRHFSA-N 481.601 2.563 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358998635 MGTMZKMYLKEOPN-UWHLTILDSA-N 469.586 2.617 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCS1(=O)=O 1359015230 MKQUHQXOGTVPFZ-NRFANRHFSA-N 489.617 2.943 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCc1ccco1 1359015273 OAYHPSZSWABKJT-UHFFFAOYSA-N 487.495 2.614 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1 1359016802 MLDTWDPEUSHHBL-FQEVSTJZSA-N 475.590 2.580 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCCCCC1 1359020062 QAYHGBHAXRMTIF-UHFFFAOYSA-N 477.407 2.914 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2cccc(OC)c2)CC1 1359028507 VAHLYLXYNKBMBW-UHFFFAOYSA-N 473.581 2.667 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OCCOC)CC1 1359043124 HWSAATCBBGCKFK-UHFFFAOYSA-N 488.592 2.688 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(OCC)c2)CC1 1359045102 XDMSRIJRNUCOPP-JOCHJYFZSA-N 465.598 2.779 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359048389 PBIGMWJEVUREER-KRWDZBQOSA-N 485.614 2.785 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 1359089131 BYRWSXLKRZZUTI-WIYYLYMNSA-N 456.566 2.863 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1359091010 IHRRTWUHPFKORN-FKPGQJDZSA-N 475.615 2.657 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1359145873 GPHDCWJOUQWFLA-CQSZACIVSA-N 458.719 2.550 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359146026 LAKNBZOBDGSHTE-UHFFFAOYSA-N 459.341 2.567 30 10 JFEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1359215333 ZNNPJEQFGFYIOJ-GOSISDBHSA-N 455.559 2.826 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1359227248 XINOWCJKVIJBNP-QRVBRYPASA-N 476.622 2.952 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CC=CCC1 1359301283 VWYNVAQRJWCGIG-LJQANCHMSA-N 450.591 2.547 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2O)C1 1359334263 YUDCRRUDKSJDAB-UHFFFAOYSA-N 473.986 2.786 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359336485 RNFXEYVSPWEZGL-IPMKNSEASA-N 492.646 2.873 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(N4CC[C@@H](N(C)C)C4)cn3)ccc2c1=O 1446398679 QBXFNWSGFWCUAZ-QGZVFWFLSA-N 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C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594520488 AAOIJAXKQBMXKT-HXUWFJFHSA-N 494.640 2.904 30 10 JFEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1594857883 SPRHAAZXRSVWHA-ZDUSSCGKSA-N 472.409 2.524 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCCCC2 1595084919 NFNWHSMITWQFDB-UHFFFAOYSA-N 473.585 2.847 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1595238890 AIIHBXCJKSTUAO-LEWJYISDSA-N 473.643 2.892 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCCN(c2nccs2)CC1 1595595156 SWICTJKSOLOMLI-UHFFFAOYSA-N 481.626 2.895 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](CCC)C2)cc1 1595614189 PKIDYTZOVYPKLK-PZJWPPBQSA-N 460.600 2.799 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccnc(C(C)(C)C)n2)C1 1595721781 GOHAIHDBVRFSMP-QUCCMNQESA-N 488.658 2.682 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC1CC(F)(F)C1 1595777218 KBLDQRDTDLBNPV-UHFFFAOYSA-N 454.499 2.756 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1614924163 CJAYLESDBLIHDU-IBVKSMDESA-N 492.580 2.972 30 10 JFEE C=CC[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1634302818 UNEQHPNFLPAZMB-ZENTWMBTSA-N 450.535 2.814 30 10 JFEE C=CC1(CC(=O)N2CCOC3(C2)CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 1636667822 BQTAHWGSVRUJMJ-UHFFFAOYSA-N 451.564 2.648 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1 1640140603 BHUGZYWXFDFDQI-MAUKXSAKSA-N 451.317 2.786 30 10 JFEE Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 1640238667 DFQJUCZKGKDUPS-HNNXBMFYSA-N 454.298 2.825 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)OC)c2)c1 1643097594 CHNILUAYCMYFPA-UHFFFAOYSA-N 455.536 2.627 30 10 JFEE C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc2cc(S(N)(=O)=O)ccc2n1C 1652451873 XGQANBKGPAKMDA-ZDUSSCGKSA-N 450.611 2.978 30 10 JFEE COc1cc(CN2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)cc(OC)c1OC 1657437203 FDZWEDKMSLVHPQ-UHFFFAOYSA-N 458.946 2.994 30 10 JFEE COc1cccc(CC(=O)N2CCN(C(=O)Nc3ccc(Br)c(C#N)n3)CC2)c1 1672168605 ALYREDQZBDKEPB-UHFFFAOYSA-N 458.316 2.643 30 10 JFEE N#Cc1ccccc1N1CCC(NC(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1686021510 FSNOTDUJBYPZMY-UHFFFAOYSA-N 453.568 2.566 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1689836135 YWSGUDQWUHBTCV-GEQKSPFYSA-N 458.584 2.535 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccc(OCC(F)(F)F)nc1 1689839466 HPCRPDMFWQOWJZ-MRXNPFEDSA-N 497.485 2.958 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COCC(F)(F)F)c1 1690047550 TYDOZHIEYNSCTL-HXUWFJFHSA-N 494.539 2.770 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1(S(C)(=O)=O)CCCC1 1690048983 VJUOHDRGZDPWQH-UHFFFAOYSA-N 460.550 2.967 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCCn1cc(Br)cn1 1690057762 GWJNQTQLOHMMEL-UHFFFAOYSA-N 471.363 2.824 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690165975 PLYRMYAVQVGRKQ-SBUREZEXSA-N 458.584 2.713 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1690170688 OQNAZQCMMCRZAF-KRWDZBQOSA-N 492.527 2.809 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 1690214432 JMWYXQCDWKXMBF-HFZDXXHNSA-N 466.630 2.884 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1690226937 QTYUIKMKBKHTKW-SJORKVTESA-N 477.407 2.925 30 10 JFEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1690229054 MIXTVIKHUFCRFO-CABCVRRESA-N 472.384 2.720 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690526626 AICWFJXFBJAEEF-KKUMJFAQSA-N 451.515 2.527 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1snnc1C 1690586265 JPUGAGKVSOMZBZ-UHFFFAOYSA-N 459.601 2.582 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC)[C@H](C)C1 1690662677 CIJQDWYEMBVQHV-OAHLLOKOSA-N 477.407 2.549 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)Oc2cccc(F)c2)C1 1690700597 VEZIZPWCIOTLPC-YFVAEKQCSA-N 478.590 2.958 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690749729 NRFQCYLLASPGAG-QFIPXVFZSA-N 472.707 2.664 30 10 JFEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1694208909 BXHPLWFMIMHILB-IBGZPJMESA-N 465.602 2.566 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(=O)NCC)CCC1 1705482108 SRFVRPARFYQSPU-MRXNPFEDSA-N 455.559 2.735 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1705494644 CVCXUIGNCKLVPM-HOCLYGCPSA-N 456.490 2.628 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2occc2C)c1 1705503749 DBMLRVOPZFIXLX-VWLOTQADSA-N 463.538 2.936 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(C)C)nc2)c1 1705505141 JREUGICFGJCVAZ-UHFFFAOYSA-N 484.564 2.965 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1705563123 RBZGVRQNGLZROU-NLWGTHIKSA-N 476.002 2.601 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705564342 BTCFLZRYRVKYBK-PMACEKPBSA-N 474.652 2.900 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705568036 GAICOPCKVQPYFX-FGZHOGPDSA-N 485.654 2.531 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705568517 OVXGMONASHRGPM-PKTZIBPZSA-N 499.681 2.833 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705570341 OZWTVZVVWQFKSQ-ZJOUEHCJSA-N 462.641 2.618 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1705636329 GECXMZGSENINMZ-LJQANCHMSA-N 474.009 2.910 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1705640698 BHZPOTAZZSVDAS-OAQYLSRUSA-N 485.608 2.970 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705662880 OQKCEOIQEFTBRO-UHFFFAOYSA-N 456.616 2.935 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705663839 DUJATUCYXHTFBG-NRFANRHFSA-N 452.584 2.843 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705681010 LCKXOGGKDLMYIN-LJQANCHMSA-N 499.498 2.906 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705686559 CBWZFDWEGKQUCO-UHFFFAOYSA-N 461.368 2.514 30 10 JFEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(C)CCN1CCOCC1 1705690746 GPDFUNNWNRUUPB-UHFFFAOYSA-N 454.344 2.673 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705749635 CHHUUZQZOGRNJB-NSHDSACASA-N 485.795 2.994 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1705839012 KUCFBIWECBFOLC-HSZRJFAPSA-N 459.616 2.792 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](OC)C1 1705896459 NJQUZPTWKBNJQA-OAHLLOKOSA-N 464.364 2.634 30 10 JFEE CC(C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1706635197 HYDLOOXHTMQVGS-NRFANRHFSA-N 451.575 2.633 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1708616494 BMBBXTOHMZDLCB-YLJYHZDGSA-N 463.586 2.617 30 10 JFEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CCC1 1709536943 FMZQRUIKNGQYHP-HXUWFJFHSA-N 452.559 2.650 30 10 JFEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1710984752 ACIDURBWNHVNLX-UHFFFAOYSA-N 472.475 2.962 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nc(C(F)(F)F)cs1 1722282953 PNBTVIFEXPSUBD-GFCCVEGCSA-N 459.461 2.902 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722299580 QSCIKHHOGUHGPC-GJZGRUSLSA-N 454.522 2.612 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1722363729 BLYKZTZYYINUNP-GOSISDBHSA-N 462.547 2.884 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1722417468 IPIMFAALNBEKDK-UHFFFAOYSA-N 498.584 2.918 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC(=O)NCC(F)F 1722421079 FVWCGFHNAANYET-UHFFFAOYSA-N 462.501 2.794 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(SC)CC2)CC1 1722441751 UDOOKHHLDJJUJD-HDICACEKSA-N 460.648 2.700 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(F)F)cc2)CC1 1722446374 UKBHRIGSMPJLBX-UHFFFAOYSA-N 466.492 2.956 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722495068 UTPWONIUAULBKR-AZUAARDMSA-N 489.665 2.808 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722531051 GLCQDXUVQHJDPE-FQEVSTJZSA-N 459.616 2.851 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1722609312 VMSUGMKJTBTJGH-SFHVURJKSA-N 462.620 2.580 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722694111 LSSKDYJOWQPBCH-DMPWYTOCSA-N 490.402 2.783 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722698993 QFZHADVUYVBCRE-FHWLQOOXSA-N 476.622 2.904 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722705138 AIJHJGBBODYKBM-WBVHZDCISA-N 453.465 2.624 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722732537 MAXIIDKVNVFABR-QAPCUYQASA-N 450.008 2.988 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1722738102 BCVFNZUJVBAEAM-SFTDATJTSA-N 491.683 2.742 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCSCC1 1722750229 MAOKDOFQGFLMJQ-UHFFFAOYSA-N 487.445 2.870 30 10 JFEE C[C@H](CN1CCCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1723870789 HDVQEBPTCQPAPK-KNQAVFIVSA-N 470.643 2.810 30 10 JFEE C[C@H]1CCCN1CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CC#N 1726584177 CTRYCDGPPWMSTE-PKTZIBPZSA-N 464.662 2.865 30 10 JFEE CCN(CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F 1728538503 CEMCUJPBXLRNNT-INIZCTEOSA-N 470.471 2.999 30 10 JFEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)C)CC2)CCOC1 1729951565 ASASRLTWHQIEFZ-XMMPIXPASA-N 454.575 2.501 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(CC)(CC)OC)c1 1740562223 JPQAHSYJPCWVPK-UHFFFAOYSA-N 466.586 2.776 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[C@H]2CCCCO2)c1 1740563590 VHVBTNXPECFTEJ-NHCUHLMSSA-N 464.570 2.635 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCOc2ncccc2F)c1 1740564649 TZNHPUOULVMYSA-UHFFFAOYSA-N 485.523 2.933 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740626552 LQEYKIMRBQQTHX-OALUTQOASA-N 464.538 2.938 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@@H](C)C1 1740653066 YPQPQJSUYMKCEU-RBUKOAKNSA-N 454.600 2.516 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2([S@@](C)=O)CCC2)CC1 1740692756 MYKJJMLWIWKQBB-SSEXGKCCSA-N 494.434 2.903 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OCCC)cc2)CC1 1740692868 QIZBOICGKJJCJU-RUZDIDTESA-N 453.587 2.523 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1n[nH]c(C)n1 1740727734 WYKIIADBJJQZGC-HSZRJFAPSA-N 451.531 2.632 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1740759974 NDPYTOBWGQQGMK-JLGINSKQSA-N 453.587 2.916 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1740789713 IRHBNQJJWBKPEI-UHFFFAOYSA-N 457.531 2.634 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740829252 PYXGOGGMZPIQHM-QHCPKHFHSA-N 482.629 2.965 30 10 JFEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740883425 SYFUIRGYMOVZGT-UHFFFAOYSA-N 452.603 2.591 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(=O)NC)CC1 1740987254 QWKYZUDWGLNTFU-INIZCTEOSA-N 496.033 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740991520 YFZYDWMCQUYGQV-UHFFFAOYSA-N 453.609 2.640 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(Cn2cccn2)CC1 1740994679 SCEYAIAIEKVRES-UHFFFAOYSA-N 460.629 2.644 30 10 JFEE CC(=O)Nc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1741061696 FGEMELYLLXAPDJ-QRWLVFNGSA-N 465.489 2.688 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1741129440 DLLJWTNTMFKCNA-GFCCVEGCSA-N 451.441 2.966 30 10 JFEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C 1741316120 CCDNEUZRTLAOMA-BSRJHKFKSA-N 494.662 2.860 30 10 JFEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1N(C)CCCC1(C)C 1747971529 HSIBSHFMQLQJRU-QFIPXVFZSA-N 451.619 2.706 30 10 JFEE 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471.627 2.879 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 1301535979 QFZZDEQRATVBBA-YADHBBJMSA-N 452.603 2.907 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)C1 1301565905 LQCZYTVADNIMEN-MSOLQXFVSA-N 464.563 2.745 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CCOCC2)C1 1302982044 DRXFSYCFTZONNM-LJQANCHMSA-N 480.338 2.603 30 10 JFEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1303256066 IEFAWEGTNNWZKX-UHFFFAOYSA-N 470.643 2.951 30 10 JFEE CC1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1305064797 GOJFMEYNCYIZFT-UGKGYDQZSA-N 470.643 2.809 30 10 JFEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1OC 1314174763 ASZZCNARINEQHX-JOCHJYFZSA-N 477.562 2.619 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2Cc2ccc(C(N)=O)nc2)c1 1358902413 NPMFVJAIMHMMOH-UHFFFAOYSA-N 457.538 2.534 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)COC)c1 1358902830 ALIUHJGXQSPRGN-INIZCTEOSA-N 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VZVMLMPXDJZURN-UHFFFAOYSA-N 452.555 2.747 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N2CCOCC2)CCSC1 1286438577 ZEOVTLNZAITIHV-QFIPXVFZSA-N 456.572 2.521 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@](C)(O)CC)CC1 1286486831 BVPDYJPEYQJFEI-BXKMTCNYSA-N 457.550 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(=O)N(CC)CC)CC1 1286489420 RSKLYUWIMWPRRX-UHFFFAOYSA-N 486.020 2.608 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1286536351 YJUQWAOXEQGVDT-HXUWFJFHSA-N 465.348 2.867 30 10 JFEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1286601036 ILVMAQLNSKDMDE-UHFFFAOYSA-N 454.619 2.989 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCCCC2)CC1 1286640661 MWIPNNSNCYPGCB-UHFFFAOYSA-N 458.632 2.838 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 1286772283 ACBIFACUWCGWJE-ZCNNSNEGSA-N 479.622 2.776 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286783707 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ASGFDVODMDCKJT-IBGZPJMESA-N 451.637 2.621 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1301026850 BJKBTGFBIWFGPX-UHFFFAOYSA-N 463.966 2.788 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1301458847 GLCYMBKOTPPRIJ-HOTGVXAUSA-N 455.625 2.836 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1301530639 XTLSQTZHBNNLFX-UHFFFAOYSA-N 466.586 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)cc2)CC1 1301584443 AERNYZIPFOGTQJ-UHFFFAOYSA-N 470.574 2.715 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 1301596714 WUPAKJPQPIEGFR-KRWDZBQOSA-N 483.635 2.566 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1 1309508307 VUYBDXXHCRRJMG-MRXNPFEDSA-N 459.515 2.525 30 10 JFEE C#CCN(C(=O)NCC[C@H]1CCCS1(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1313219233 MSWOLXSZOLRNOZ-WBVHZDCISA-N 455.374 2.885 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1coc(-c2ccc(C)cc2)n1 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RCLUGNFURYZHKQ-MRXNPFEDSA-N 473.419 2.624 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2CCCCC2)CC1 1359043893 NBEAANHLQWNZBP-UHFFFAOYSA-N 463.630 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(CCOC)CCCC2)CC1 1359046143 GOTBLKMKQMEOHC-UHFFFAOYSA-N 464.614 2.827 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359051572 BLGRHMRHICEIGZ-JOCHJYFZSA-N 473.002 2.779 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359053743 XJCAOQLHMQXNBZ-HXUWFJFHSA-N 482.610 2.913 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359059714 XDFVSRMARKXRLC-UHFFFAOYSA-N 466.636 2.722 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1359087407 DSNGEEBESKMOFZ-AWEZNQCLSA-N 451.321 2.774 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)(C)C)CC1 1359099618 QRGGOFKHWLZGPS-GGPKGHCWSA-N 466.648 2.945 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359128340 QYEFATHKXUDFRO-UHFFFAOYSA-N 465.558 2.672 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359136750 UFOOVNCHDXINKW-NRFANRHFSA-N 456.522 2.900 30 10 JFEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1359230410 RDUJEKHVJSXCJZ-UHFFFAOYSA-N 451.478 2.708 30 10 JFEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359273969 VQWOLNZGXJCVIT-SFHVURJKSA-N 454.600 2.810 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCS(=O)(=O)c2ccccc2)C1 1359319392 YHGZBJBEZANAPA-IBGZPJMESA-N 455.584 2.929 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1359332238 SQUDOKDTCSIIQW-LJQANCHMSA-N 461.544 2.591 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C3)n[nH]2)c1C 1465744939 UWNNTEMAHWHIGE-AUUYWEPGSA-N 458.563 2.830 30 10 JFEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)n1 1492651156 GMJURBKTAMHKLA-IBGZPJMESA-N 486.623 2.946 30 10 JFEE CCN1CCN(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@](C)(O)C(C)C)CC2)C1=O 1502337426 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455.584 2.639 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1507751817 RIOFKLWJLYNIBO-HNAYVOBHSA-N 499.033 2.917 30 10 JFEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1507821825 MGBFPPSKYPEPQW-UHFFFAOYSA-N 452.559 2.795 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1507829803 GKAIVKLJHHAJLA-UHFFFAOYSA-N 451.531 2.530 30 10 JFEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507831030 WQGZUMLXALJZRN-FQEVSTJZSA-N 480.034 2.729 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507912277 PUAYSTBKXVXYET-LJQANCHMSA-N 473.574 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1508142259 ASOBXRFOZMXWEK-NRFANRHFSA-N 485.610 2.582 30 10 JFEE C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1)c1nccs1 1510016728 BTEVRGZCYQQICD-VFNWGFHPSA-N 489.602 2.898 30 10 JFEE Cc1cc([C@@](C)(O)Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)c(C)o1 1510550476 FIKIPBMOENURHF-MQNRADLISA-N 475.553 2.905 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC1(N2CCOCC2)CC(OCC)C1 1539010932 AICWJPJKQASQLT-ZMWWRJPQSA-N 451.615 2.905 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1539045618 GFDMBQHYEWFEKA-UHFFFAOYSA-N 451.531 2.552 30 10 JFEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1539072191 MWUARVAWYZRCOP-OAQYLSRUSA-N 451.571 2.833 30 10 JFEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1539168418 WULVDZCPNKGYTB-UHFFFAOYSA-N 481.607 2.549 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539216738 WPAUOCYJNYHIEL-IBGZPJMESA-N 483.594 2.746 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1C)[C@H]1CCS(=O)(=O)C1 1539223223 ZQDXZPXIOYVFHA-MJGOQNOKSA-N 482.528 2.784 30 10 JFEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539231222 UBMAQUZLEJVWBR-JOCHJYFZSA-N 499.681 2.877 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2conc2COC)CC1 1539430276 IHQLMHLBTMZEAV-FQEVSTJZSA-N 464.570 2.973 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539505144 HIPPBBSSUOHNLO-AWEZNQCLSA-N 469.430 2.697 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCCN(CC)S(C)(=O)=O 1539564051 VJCIFYMHBLITDF-XMMPIXPASA-N 468.627 2.945 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539630224 ZOGYTKMEXLGAEF-QPPBQGQZSA-N 481.645 2.620 30 10 JFEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccccc1 1539759428 HQORWDHNVPAAHK-UHFFFAOYSA-N 452.603 2.775 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)N(C)C)CC1 1539874205 KILXGMKARMPCDR-MRXNPFEDSA-N 451.568 2.851 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1540120781 VQOZDRKKBPGWSN-YKSBVNFPSA-N 470.643 2.868 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCO[C@H]1C 1540191930 RSLPONFTKZTKTA-BTYIYWSLSA-N 481.391 2.895 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C(C)C)C1 1540864178 RTLQNTYYTCMNTJ-OAHLLOKOSA-N 453.410 2.916 30 10 JFEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](NC(=O)CC)C2)cc1 1540879010 PITJWWHQGLEQII-HXUWFJFHSA-N 466.586 2.509 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1540894210 SJGXEQRLJUGEMY-RZUBCFFCSA-N 454.619 2.933 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Br 1540897426 IVYIIQODOBXTAO-UHFFFAOYSA-N 496.431 2.514 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)NCC)c3ccccc3n2)ccc1F 1544738510 JQPMDTUIDAZZHP-UHFFFAOYSA-N 456.499 2.840 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1545273561 FYRFGSQSOVGFTG-HXAGEGRHSA-N 482.629 2.684 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2OC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367803 OOTUCVRAWYWYQC-FQEVSTJZSA-N 474.483 2.982 30 10 JFEE C#CCN(C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1558370005 FQDKNVSTQNUDCM-UHFFFAOYSA-N 459.543 2.716 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)c1 1587667450 ISSWKFLBGDZQDY-SFHVURJKSA-N 464.595 2.612 30 10 JFEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587755281 WZPNICKUCQGLEQ-UHFFFAOYSA-N 468.583 2.875 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1587847360 KMEDLORTMPWPFQ-INIZCTEOSA-N 483.564 2.724 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCn1ccnc1C 1588138578 GATOLRRZOVKBNI-UHFFFAOYSA-N 457.586 2.510 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCCC1 1588276543 PQNFYZMHHLJDFH-UHFFFAOYSA-N 468.421 2.863 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCNC(=O)OC(C)(C)C)CC1 1588871512 GBZSHXKZJIDXFA-UHFFFAOYSA-N 484.601 2.536 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)NCCC)CC1 1589006845 IWMDATHXQXYLFY-UHFFFAOYSA-N 456.572 2.962 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCCOC)C1 1589442851 FFJLUCCFFUUSFM-QGZVFWFLSA-N 453.385 2.680 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(N2CCNC2=O)CC1 1593704266 SUKPIGWAKXVPER-UHFFFAOYSA-N 492.422 2.633 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccsc2Br)CC1 1594012987 AIZFQPDDLXVOBO-GFCCVEGCSA-N 460.423 2.917 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1594798689 UNUNIBFRKBOUGJ-UHFFFAOYSA-N 454.575 2.931 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1594807209 HVFCFKNZBKMUGZ-IBGZPJMESA-N 490.967 2.577 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1595517239 UMQFKABRZBCISM-UHFFFAOYSA-N 450.587 2.866 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595555634 FYVNQPSWSVPWEC-UHFFFAOYSA-N 490.555 2.943 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1595561995 KGYDGQQDCFCOOX-HXUWFJFHSA-N 452.584 2.904 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)cc1 1595607507 GOYXLODGIULIER-UHFFFAOYSA-N 467.492 2.923 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1595659416 XXPNSZPWNHYKJB-HXUWFJFHSA-N 489.642 2.645 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 1595737518 CDDQGNHOIJXRLY-NRFANRHFSA-N 456.610 2.815 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(F)(F)F 1595766273 NGKISAXVMBACBG-UHFFFAOYSA-N 456.288 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1595789607 XUTYPWPTKQMWBR-ROUUACIJSA-N 484.626 2.758 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1595905710 OTHHFUYQJMVCBD-SFTDATJTSA-N 471.627 2.884 30 10 JFEE C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1ccccc1NS(C)(=O)=O 1595975814 GPJGKPWACAEKMU-LBPRGKRZSA-N 452.330 2.948 30 10 JFEE N#Cc1ccc(N2C[C@@H](C(=O)N(CCN3CCOCC3)Cc3ccco3)CC2=O)cc1Cl 1597473374 APZLVZYJGZQUJR-SFHVURJKSA-N 456.930 2.519 30 10 JFEE COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NC(=S)Nc4cccc(C#N)c4)CO[C@@H]23)cc1 1616128403 KTCRNDIUCVEOBD-WTGUMLROSA-N 454.508 2.637 30 10 JFEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCCCC1 1619643549 DMNKOPLHBOLEND-KRWDZBQOSA-N 452.625 2.615 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C 1642487486 HADRWYLLIJIHDL-WBVHZDCISA-N 451.589 2.720 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1649539429 MWQZOWBKBRYDSZ-SGTLLEGYSA-N 460.888 2.842 30 10 JFEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cc(C(N)=O)oc1C 1662171817 ZCUMNVHNWUBJJL-AWEZNQCLSA-N 453.314 2.597 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1 1668071189 AKUQCSUAFIHUOZ-HNNXBMFYSA-N 456.486 2.751 30 10 JFEE CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)s1 1680946075 GXMSRERYPMGDQL-KBPBESRZSA-N 459.551 2.606 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCCO[C@@H](C)C1 1689860468 AKJJJUBBUUDILO-DQEYMECFSA-N 493.700 2.602 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1689871959 JTQRHJKKUJKRNT-FQEVSTJZSA-N 492.546 2.796 30 10 JFEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1689916291 GCGMZDMPCDPENX-UHFFFAOYSA-N 480.034 2.889 30 10 JFEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1689982407 MPASBNOUKCMHEI-IBGZPJMESA-N 490.651 2.556 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689989523 GMGUMBNOLONVFZ-RKDVLTNBSA-N 478.659 2.783 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1689995866 BIFFZHQDVISGBQ-IBGZPJMESA-N 492.045 2.622 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1oc(CCC)nc1C 1690019757 QSLIMUCEVMHDQI-LJQANCHMSA-N 482.585 2.957 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC[C@H](C(F)F)N1CCOCC1 1690062450 PGANCCKVJQBENN-MRXNPFEDSA-N 485.377 2.862 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1690154725 XSVXODJIAJXRQJ-UHFFFAOYSA-N 468.627 2.606 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690183164 OJCOLPAANNDBTK-HSZRJFAPSA-N 491.621 2.814 30 10 JFEE C=C(Br)Cn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690233424 GUKVBSJZEVVCSL-VDGAXYAQSA-N 471.396 2.612 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690316040 ULYBNYLQCLKRQI-UHFFFAOYSA-N 496.015 2.936 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCOCC1 1690570189 ZBDMHMLYLMMNFD-NQIIRXRSSA-N 456.566 2.529 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1690597216 MQOCYFDXQHQIAT-HXUWFJFHSA-N 457.556 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1690726657 HTZIOOGUBFXJCQ-UHFFFAOYSA-N 480.638 2.808 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(O)(c2ccccc2)CC1 1690727169 VZRVVBBOBQNABE-UHFFFAOYSA-N 487.651 2.723 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(Cl)cn1 1705480961 ZMNOLKYKLRZKDM-AWEZNQCLSA-N 460.995 2.555 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccccc1OCCN(C)C 1705492210 NICNETAGAOHYGG-NRFANRHFSA-N 488.640 2.899 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1nc(C)cc1C 1705494475 AKZMSMHOAUHZRO-ICSRJNTNSA-N 471.606 2.948 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1705494793 FZMWVGVRGYIXEC-IPMKNSEASA-N 479.647 2.818 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1705562032 XJRXPUURSRDKCI-IBGZPJMESA-N 493.427 2.927 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1CCS(=O)(=O)CC1 1705576052 DUMFTGONXQWXAK-UHFFFAOYSA-N 479.375 2.744 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705579351 UKMVXNZNJCCYEL-WIYYLYMNSA-N 472.014 2.876 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)F)CC1 1705656778 IWPCGOXRUYXJHR-UHFFFAOYSA-N 467.517 2.767 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCc1c(OC)cc(OC)cc1OC 1705676940 VHTNIUCHQZFHKQ-RUZDIDTESA-N 467.570 2.661 30 10 JFEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1705802772 VRRXVAWSOUDPON-UHFFFAOYSA-N 451.568 2.680 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705832593 CKQRXNSWPWUZEW-YPAWHYETSA-N 461.651 2.948 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1705862164 ZYNSGPSXUWBUSI-ATGHGOICSA-N 462.554 2.891 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1705908568 DAHSZEWYXHZVQT-AUSIDOKSSA-N 482.629 2.834 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1705908583 DMANLOVSLMCXHV-NVXWUHKLSA-N 490.546 2.521 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1705908587 DWCJSCGFDWLLSL-IEBWSBKVSA-N 473.647 2.590 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)C1 1705925996 XBZTVACSQWNKKM-MPCDZSKCSA-N 488.633 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2sccc2[C@H]1CC 1705927596 BAESJKXIUVARMK-MRXNPFEDSA-N 451.618 2.592 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938857 LDVLEXPRHTXUDA-FJIDUMEYSA-N 465.620 2.638 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1705943434 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C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CN(CC(C)C)CCO1 1722373255 GIFBQYRZIRDXFJ-RTWAWAEBSA-N 453.562 2.987 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@@H]1OC 1722386215 WZGSYFDSFMSYJZ-NOZRDPDXSA-N 460.626 2.531 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NC1CCCCC1 1722417339 DNNDYEQQIIJEGY-UHFFFAOYSA-N 466.561 2.742 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)c1nc(C)cs1 1722446585 DXTAGGQDYMIYSV-MRXNPFEDSA-N 477.594 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@](C)(O)CCC)CC1 1722449539 LVJUYMCDADAYTA-SANMLTNESA-N 462.598 2.798 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C=C)CC1 1722454044 HQPSEFZLUVJQCV-UHFFFAOYSA-N 459.641 2.964 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1722596499 KAFMUTUTLHXXRU-NJDAHSKKSA-N 459.616 2.660 30 10 JFEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722601935 NCIZQIQNLYGLSL-SFHVURJKSA-N 468.558 2.791 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1722706263 PJZCLWSLYBQGDR-LJQANCHMSA-N 465.558 2.514 30 10 JFEE CC(C)(C)OC(=O)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C1CC1 1722974771 GMKIHFTZCNQFNL-SFHVURJKSA-N 492.646 2.710 30 10 JFEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1723724328 FCFFHFPFEMXLSY-JOCHJYFZSA-N 468.602 2.702 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCN(C)CC1 1729186351 DPHWPZNHFFIHJC-GOSISDBHSA-N 490.699 2.904 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CC1 1729799141 GRMDMHQMOOEHIO-UHFFFAOYSA-N 481.601 2.882 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(O)CCN(C(C)C)CC2)c1 1740562286 HOONQPZBPCFSMD-UHFFFAOYSA-N 475.597 2.565 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCNc2ccccn2)c1 1740564603 RUXPQBNQQJJYMU-HXUWFJFHSA-N 459.554 2.735 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740594453 MWRNTJIYQZAZIK-QHCPKHFHSA-N 493.656 2.771 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740620676 GSEYYXJIJANRSC-FQEVSTJZSA-N 467.620 2.900 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740620842 YIOGZBPKSPPEPN-ZDUSSCGKSA-N 487.445 2.557 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1740623273 QRNARBZIOSGVHX-VXKWHMMOSA-N 479.606 2.533 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740624094 FRBLWVBJOADNGQ-QGZVFWFLSA-N 482.528 2.933 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740626930 ZAOVRAGZSGLFJM-QFIPXVFZSA-N 486.638 2.515 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1740628832 UZQCAOPLHHSLMB-YZUZCNPQSA-N 484.622 2.773 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCCC1(C)C 1740629421 MVNFPYJBOYKWSR-XMMPIXPASA-N 453.974 2.876 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2OCCN(C)C)CC1 1740706343 SFXYKAQSSKLVQR-UHFFFAOYSA-N 478.641 2.890 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740733790 LSHYPCYLYCBINW-TZAGOIDRSA-N 458.566 2.972 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740750179 NMPZBHUEECHARJ-ZWKOTPCHSA-N 453.429 2.643 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCOCCS(C)(=O)=O)CC1 1740820100 QOTMZNSMKZRKFV-UHFFFAOYSA-N 499.431 2.934 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740916752 WQOZDAOVVHUNHK-LEWJYISDSA-N 455.584 2.671 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740951990 RMEBJTOXCUCCAG-SJLPKXTDSA-N 474.537 2.574 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(F)c2)C1 1740973546 ZAAOYRBYKZALSI-APWZRJJASA-N 465.595 2.787 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1741686436 FEBAVNRUEMKVKG-HOYKHHGWSA-N 452.559 2.506 30 10 JFEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCOCC1 1743722213 CBFAZLLXIMEYCN-FQEVSTJZSA-N 479.629 2.658 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1748635277 QPCIRWBWOFWYTG-KNQAVFIVSA-N 450.587 2.818 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNc1nccc(C(F)(F)F)n1 1748780905 PUVVMNJTNIKNCP-UHFFFAOYSA-N 461.448 2.953 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1748790833 NJFRQOLACDOQQH-YADARESESA-N 459.591 2.800 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748821780 VIPJISSOAUMQBY-IBGZPJMESA-N 486.619 2.645 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1748875550 SICDXGLXMFMHOC-OAQYLSRUSA-N 483.576 2.923 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN1CCN(CC)CC1 1748914164 ABGLAJYABFECLM-UHFFFAOYSA-N 462.440 2.913 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC[C@H]1OC 1748953851 VNDCJPIWIAICOU-HUUCEWRRSA-N 469.405 2.907 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCc2noc(CC)n2)CC1 1748984386 QRVDKNMCARQGNH-UHFFFAOYSA-N 470.375 2.651 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)cc2)CC1 1749003685 RTXQPEWUXWUIJK-AREMUKBSSA-N 483.588 2.666 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2nccc(C(F)(F)F)n2)CC1 1749009227 GTTVPFGQJAJACY-QGZVFWFLSA-N 491.518 2.537 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(CN(C)CC)c2)CC1 1749017106 WLQNZLRTNSTEIO-UHFFFAOYSA-N 485.636 2.730 30 10 JFEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749043917 LVJLLLJBEPCQMZ-FYYLOGMGSA-N 453.656 2.977 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1749126010 ZIYJUDFJTZDFSV-NQIIRXRSSA-N 455.584 2.955 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749175263 BDYNFPGSIIRIGM-NTKDMRAZSA-N 482.629 2.917 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)c2ccccc2)CC1 1749312026 AHODPOIMLGTFEL-UHFFFAOYSA-N 471.608 2.900 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749402102 JKJXHPKWQRHNKF-LJQANCHMSA-N 475.590 2.638 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749680430 LGLDFWPARKEVPY-IBGZPJMESA-N 453.522 2.645 30 10 JFEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749746418 YPEPYRPZOBWVBR-FQEVSTJZSA-N 457.600 2.701 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)s1 1751580654 IECYSAOTODHLSE-SFHVURJKSA-N 478.644 2.998 30 10 JFEE C[C@H]1CCCN(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)C1 1752183292 DZIPIOKEGRJPJI-ZCNNSNEGSA-N 473.622 2.811 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCN(CC)CC1 1760118007 WVUXRGFHTVULQS-OFNKIYASSA-N 452.603 2.666 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1760141508 XEBYDFNKICFZAQ-FQEVSTJZSA-N 450.587 2.928 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1760180554 HLJRAEICUVBWBP-AWEZNQCLSA-N 453.337 2.808 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1760183766 QXWIJNGRPCBPBW-LJQANCHMSA-N 459.934 2.808 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760185711 BRBIAGBEYULIKT-LJQANCHMSA-N 455.609 2.617 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1760192246 SEOSDBRKIXWLDP-LJQANCHMSA-N 458.584 2.849 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCS(=O)(=O)C1 1760196540 UPDZQWYDIBAMDB-HNNXBMFYSA-N 479.375 2.744 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1760209069 UGAGVBGKRUPSGX-UHFFFAOYSA-N 470.364 2.980 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCO[C@@H]1C 1760213329 YNSRCHRCJZWUIO-OPAMFIHVSA-N 473.371 2.719 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCSCC(F)(F)F)CC1 1760270385 WEJRKUSPGTZPQM-MRXNPFEDSA-N 459.538 2.781 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)C(=O)NCC)CC1 1760270992 HLNNOSWYWYGTPG-UHFFFAOYSA-N 494.640 2.602 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1760294739 FKOWBRSMQZBHIJ-SFYKDHMMSA-N 459.616 2.848 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760319128 RABVCTFVDCOLJB-UNMCSNQZSA-N 489.642 2.701 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760344982 XWAFSEUCZKKMDK-QGZVFWFLSA-N 473.647 2.945 30 10 JFEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1760356475 OHPFKWKSSJZGLD-UNMCSNQZSA-N 458.651 2.955 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760414474 SAJDCNORCYAVIK-UHFFFAOYSA-N 478.601 2.923 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N2CCOCC2)CCSC1 1760504113 LBXYOCIDXGMUEQ-JOCHJYFZSA-N 479.050 2.840 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cccs2)CC1 1760517700 VNYDBOOLQCWVGO-UHFFFAOYSA-N 452.584 2.640 30 10 JFEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)C(C)(C)C)c2ccccc2c1=O 1764488769 BYWBDWWFRVDJED-QGZVFWFLSA-N 478.601 2.823 30 10 JFEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1768034861 GUEBFARCONXALX-MJGOQNOKSA-N 454.575 2.895 30 10 JFEE 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CCCCN(CCO)S(=O)(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872720028 KQDSPADPZBQTQF-UHFFFAOYSA-N 477.608 2.909 30 10 JFEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCOC)CCOC)n2Cc1ccco1 1873564454 WGOZBJZEUWFALQ-UHFFFAOYSA-N 453.543 2.986 30 10 JFEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874211637 UIKBYTLWKBBFHI-AMAFCZHPSA-N 494.533 2.850 30 10 JFEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2csc(NC(=O)c3cccc(F)c3)n2)C1 1891631550 XGSUWSXDWPYBLA-HNNXBMFYSA-N 452.471 2.880 30 10 JFEE N#Cc1cccnc1OC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1891871273 MYEOASRLDISVOE-UHFFFAOYSA-N 472.542 2.563 30 10 JFEE C#CC[C@@H](C)C(=O)Nc1c(I)nc(C)nc1I 2020006284 AVGXZULEXRITHV-ZCFIWIBFSA-N 455.037 2.592 30 10 JFEE C=CC1(NS(=O)(=O)c2ccc(C(=O)O)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2196122439 MWULHSGKAIWWPO-UHFFFAOYSA-N 461.334 2.601 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255740513 YPHSHXZIPOVLTI-CQSZACIVSA-N 472.438 2.643 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1(C)C 2255836977 IBUOVGCTQRDKIY-KBPBESRZSA-N 451.398 2.864 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255837759 UVTPLKJGPDOOGL-AWEZNQCLSA-N 451.398 2.962 30 10 JFEE CCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256595621 NZJNHEPMQXQYJC-OAHLLOKOSA-N 451.398 2.966 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@H](NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2264009371 ICCAXVIXOMJUNT-FQEVSTJZSA-N 465.359 2.912 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267154436 XJMUILPBZXOAQP-PXTGODKCSA-N 485.437 2.690 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2267376705 ABTHZCNVAFHNJR-GOSISDBHSA-N 466.409 2.567 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]2COC[C@H]21 2267530197 WTCSBQOMPTZAEQ-JKSUJKDBSA-N 464.393 2.508 30 10 JFEE CC1(CNC(=O)OC(C)(C)C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267709380 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Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)n1C 2362436777 VRXYMUOZBHBDHO-YLJYHZDGSA-N 452.408 2.668 30 10 JFEE C=CC1(N[C@@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@]3(CCCOC3)C2)CN(C(=O)OC(C)(C)C)C1 2378874582 DXEASTSGYIFESC-BJKOFHAPSA-N 481.590 2.765 30 10 JFEE C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@]3(O)[C@H](O[N+](=O)[O-])C[C@@]21C 13361770 QGHTVEPSXYSMPN-ZKMZPGKCSA-N 457.479 2.694 30 10 JFEE NS(=O)(=O)c1ccc(NC(=O)CCSc2nnc(NN=C3CCCCCC3)[nH]2)cc1 20837827 CDJONALSBODFMZ-UHFFFAOYSA-N 451.578 2.695 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3cc(OC)ccc3OC)cc2C1=O 22067137 HZKONQVJGGJALU-HUUCEWRRSA-N 466.490 2.909 30 10 JFEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(OC)cc3OC)n2)cc1 59016664 UKXRZZCQEAKUQX-FSJBWODESA-N 456.528 2.685 30 10 JFEE CN1CCOc2ccc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@H]3c3cccc(O)c3)cc21 243445437 NEHINZATLKYSQL-GCJKJVERSA-N 450.491 2.978 30 10 JFEE CCCN1C(=O)C(=NNc2nc3c(c(O)nc(=O)n3C)n2CCc2ccccc2)c2ccccc21 263630353 FFDXITDWPUUZBP-UHFFFAOYSA-N 471.521 2.651 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CC1 508725075 FTDFXLXUAWKHKD-UHFFFAOYSA-N 491.301 2.653 30 10 JFEE N#CC(C(=O)NCCc1ccccc1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 585655947 JMHPULGOUKYCLK-UHFFFAOYSA-N 451.551 2.761 30 10 JFEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2cccc(O)c2)C=C1 728556297 HXMIGOLABWYXAG-URLQWDBASA-O 460.601 2.853 30 10 JFEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C(C)C)c1 729668586 AAERAFYPLDVNEP-UHFFFAOYSA-N 471.586 2.698 30 10 JFEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccnc(C)n2)cn1 731315497 GTWSDRVRTZKTKS-LJQANCHMSA-N 465.539 2.868 30 10 JFEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)c(O)c1 1084309988 FDNHFMBDJPCORO-UHFFFAOYSA-N 484.586 2.729 30 10 JFEE Cc1c(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)nnn1Cc1ccc(F)cc1 1130417072 CPKFJCLLHBCDEJ-KGLIPLIRSA-N 481.372 2.988 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](CF)C(=O)OC)c1 1141612511 JQGIRIOAUJOWEI-KRWDZBQOSA-N 454.907 2.962 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NOCC(N)=O)ccc1Cl 1152779480 WALUUABYGCENGY-UHFFFAOYSA-N 458.323 2.521 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)c1 1286309547 MRZASVSXODSRGJ-RTWAWAEBSA-N 491.621 2.650 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN(C)C(=O)OC(C)(C)C 1286383056 VGZZTQUDHAUXGB-CALCHBBNSA-N 462.595 2.985 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O 1286420416 PZWPQORMXDTUJQ-RTBURBONSA-N 458.559 2.987 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncc(CC)s1 1286467905 WQPLZSRFXWYAMM-GOSISDBHSA-N 490.630 2.740 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(NC(C)=O)nc1 1286469355 SQEGSKMSWQSEAJ-UHFFFAOYSA-N 457.538 2.769 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286495392 UZMGJLYCXKRKFX-WMZOPIPTSA-N 478.663 2.912 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@H]2C1 1286497176 OMVSCHAZFJEYRP-LEWJYISDSA-N 455.628 2.922 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1286503420 FZCYXUVBFLOMEX-UHFFFAOYSA-N 467.986 2.604 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1286522127 HNCKEEKPEDZFGE-VBKZILBWSA-N 483.425 2.986 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1286546302 IGDBYVPOVOLQAQ-RXVVDRJESA-N 484.601 2.733 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286592032 CZNGVKVNDSDMHE-SFHVURJKSA-N 463.586 2.994 30 10 JFEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1286592042 FCYDMVGEFXJBFZ-UHFFFAOYSA-N 465.602 2.971 30 10 JFEE C=C(C)Cn1c(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1286599246 REJPNVZFCTWSMH-VWLOTQADSA-N 469.586 2.754 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286668559 SQHBJGZNCFHONA-MRXNPFEDSA-N 465.396 2.979 30 10 JFEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(Br)cs1 1286768676 CPNLJISUCKPGIP-UHFFFAOYSA-N 454.394 2.912 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(Cn2cncn2)CC1 1286781397 YGYICFXIVVXVDH-QGZVFWFLSA-N 484.992 2.882 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1286783884 OXCDBYMLHXHTQJ-UHFFFAOYSA-N 480.613 2.779 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C 1286816946 JDKLNJZHSDLEOB-WMZOPIPTSA-N 489.577 2.628 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1286863705 GGGKFMGLSZMOHN-QHCPKHFHSA-N 450.568 2.845 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1)S(C)(=O)=O 1286974823 ATXLZHNECHGUSF-MOPGFXCFSA-N 488.658 2.861 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1288267534 CIYFWMRBBOJSBF-NRFANRHFSA-N 472.615 2.540 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CCCO1 1291278881 DOSVMYFGYPMVIZ-SFHVURJKSA-N 473.599 2.701 30 10 JFEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@@H](O)C1 1294458403 ZJMAKEYLNAYXEY-RHGYRFJNSA-N 450.535 2.814 30 10 JFEE C#CCCCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300376568 MARPYMCRQFUKLH-URXFXBBRSA-N 456.591 2.533 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300485142 UNTBYOVQEWYDQB-GOTSBHOMSA-N 469.655 2.933 30 10 JFEE C#CCN(c1nnc(COCC)n1CC1(c2ccc(OC)cc2)CCC1)[C@H]1CCS(=O)(=O)C1 1300504628 PFHNCHKKHRQSLG-FQEVSTJZSA-N 472.611 2.572 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300504656 PPMRFJMQGNQGNW-YSTOQKLRSA-N 478.659 2.639 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCSCC2)CCCC1 1300513558 YXLAXYNYQPOZNB-VWLOTQADSA-N 471.671 2.753 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)CN1CCN(CC)CC1 1300545112 KRLAKXOARUGUJV-HSZRJFAPSA-N 457.626 2.628 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(=O)N(C)C)c1 1300586898 DOYORTOUCONLRW-UHFFFAOYSA-N 479.588 2.924 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC(F)(F)F)cc1 1300649936 PHMNIBVBYGSBOY-UHFFFAOYSA-N 465.476 2.741 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2cscc2C)n1 1300681220 LHUMRSRCMJJFCI-UHFFFAOYSA-N 450.572 2.580 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)CCOC)CC1 1300719009 KZSWYERTLKQSFX-UHFFFAOYSA-N 481.597 2.745 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1300864183 ZVQWNFJSFSNEBJ-BZSNNMDCSA-N 470.540 2.568 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3cccc(Cl)c3n2C)CC1 1301065711 INBSSSHARPTICI-CQSZACIVSA-N 463.995 2.633 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1301390764 OOQRKPJROYQYEM-LJQANCHMSA-N 455.584 2.534 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1301412784 JSOPWRUCYRFPIV-UHFFFAOYSA-N 471.508 2.834 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301508684 QMLHJFIBWPLIMX-YJBOKZPZSA-N 467.492 2.530 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301569588 ZQPZDYZZGUESAQ-YMPZKCBVSA-N 487.670 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301575951 NSAPXSDPTQVFCU-MRXNPFEDSA-N 487.548 2.627 30 10 JFEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCSC1 1301808443 DMJPTRUWSPZYIB-SFHVURJKSA-N 456.620 2.572 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccccc2F)C1 1303935276 HXXAJOYCPPMWNV-XMMPIXPASA-N 476.516 2.625 30 10 JFEE CCOc1c(Cl)cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1314151027 DNAOTJCDJASZFF-INIZCTEOSA-N 497.943 2.763 30 10 JFEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)ccn1 1316412712 AEIFWYQXWXFXKC-GOSISDBHSA-N 454.581 2.605 30 10 JFEE N#Cc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)nc1 1358320328 ICIOUFSDXGSMNK-LBPRGKRZSA-N 455.359 2.959 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCC(C)CC2)c1 1358902028 CQDGPRSYNJSSDH-JOCHJYFZSA-N 464.614 2.960 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1358934561 FTYIJPDDUMRFHP-QFIPXVFZSA-N 494.640 2.802 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1358959247 FLNSYBWBRGCUGY-GCJKJVERSA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1358964042 SAOGCSDXJNVIEC-INIZCTEOSA-N 491.951 2.871 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1358967104 DLYFFUNBGWNXEP-ZWKOTPCHSA-N 478.615 2.766 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[S@](=O)C(C)(C)C 1359017348 AWKCYONDKDUKRQ-YTTGMZPUSA-N 459.591 2.727 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC2(C)C)CC1 1359041755 HQXHPDRZJAOWOI-IBGZPJMESA-N 451.571 2.974 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCCO)CC1 1359042318 AWYYQBBZQCHTBB-UHFFFAOYSA-N 467.614 2.607 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCN2CCC)CC1 1359044011 REXOUQHHNNYVAG-QFIPXVFZSA-N 463.630 2.879 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359061304 YDFMITVBLHNTBI-UYAOXDASSA-N 459.591 2.520 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359067093 AINLNPHKVXUQBF-KSFYIVLOSA-N 478.018 2.881 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1359083449 KABXHCSTHWJUNB-GFCCVEGCSA-N 460.785 2.774 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359090121 VFSZPVICECKVTH-GCJKJVERSA-N 481.576 2.735 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1359122172 BDKRVNNQTVUZNP-ROUUACIJSA-N 458.567 2.596 30 10 JFEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1359131374 RNPCKOJFTPEMBI-UHFFFAOYSA-N 452.563 2.771 30 10 JFEE C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)[C@H]1CC 1359191333 WAZUJZZTGMKOQZ-HSZRJFAPSA-N 479.673 2.960 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1359216311 UCSFFWDSFSVVAG-VQTJNVASSA-N 461.588 2.624 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1359254828 FCBDIKAWZSNJQJ-FQEVSTJZSA-N 470.599 2.587 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359304464 YRRWMFCYBOYTGH-AFMDSPMNSA-N 483.613 2.841 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1359309817 FAFVMFXPZVTSPU-JOCHJYFZSA-N 489.642 2.993 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359554984 DEUGSWROUIMOAN-SFHVURJKSA-N 492.646 2.567 30 10 JFEE CC#CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1469815152 PUHJCGMYRBYAOU-AWEZNQCLSA-N 457.371 2.816 30 10 JFEE C=CCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 1475119712 RLCNYXJTLGTMCK-OAQYLSRUSA-N 450.582 2.693 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCNC(=O)C(C)C 1495721441 BKVIEHALHISUBI-INIZCTEOSA-N 454.579 2.627 30 10 JFEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1 1496719655 FPNXPRGKZUNPNU-UHFFFAOYSA-N 467.618 2.815 30 10 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452.360 2.628 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCCCO1 1507701423 GNUOHKUOGYPRHI-TZIWHRDSSA-N 460.575 2.918 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1507754472 WCJPYHZKMNJBMN-JOCHJYFZSA-N 450.612 2.954 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507789113 SYLPLSJCYWLSRY-KRWDZBQOSA-N 493.475 2.972 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508092571 CQTCZGHGAWARFR-XFAGBWLFSA-N 487.626 2.654 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1508163664 WMHVOQQVQJXOQA-IRXDYDNUSA-N 480.660 2.990 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1515898369 CXVMCILPBOIRAJ-RBUKOAKNSA-N 455.607 2.584 30 10 JFEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)CC1 1515903475 GZXFAXIFNGECRN-LJQANCHMSA-N 480.642 2.848 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2csc(C)n2)c1 1539039429 CNSVXEPNZISHHS-UHFFFAOYSA-N 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475.553 2.975 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539829888 JCYDZYZILGSLMG-SFHVURJKSA-N 478.018 2.843 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539930836 DKBNSHRZTGRQFV-NBGIEHNGSA-N 475.634 2.749 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 1539932148 WSBPSSZHSUEPRE-XZOQPEGZSA-N 493.656 2.519 30 10 JFEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1539946436 BEVUSPHOLCSNSU-JOCHJYFZSA-N 466.611 2.705 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540862469 BWSCPXAEBLPDQB-JXFKEZNVSA-N 453.522 2.934 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(F)F)CC1 1540866490 OTOAYORGHYWQSQ-UHFFFAOYSA-N 487.324 2.536 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2COC(C)(C)OC2)cc1 1540876922 GIOVTXACEBQEPW-UHFFFAOYSA-N 469.586 2.963 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540899505 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C[C@H]1OC2(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CC1(NC(=O)OC(C)(C)C)C2 2284121425 BWYZWPSEAUXDJH-YCJKGERQSA-N 459.352 2.534 30 10 JFEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)ccc2Cl)OC1(C)C 2284396670 XUVWDUGIVFBKEL-LJQANCHMSA-N 495.790 2.588 30 10 JFEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2285347797 OYUMSGGIPSFFMT-HNNXBMFYSA-N 482.814 2.987 30 10 JFEE Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2286958845 ZZSPBDPARQOUPP-GDBMZVCRSA-N 462.400 2.546 30 10 JFEE COc1cc(Br)cc(C=Nn2cnnc2SCC(=O)NCc2ccco2)c1O 2321275770 CJVQMZKRMUAYDE-UHFFFAOYSA-N 466.317 2.639 30 10 JFEE C=CCOc1ccccc1C=Nn1c(SCC(=O)OC)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329035328 ODWDCHIXEZAOGW-QGZVFWFLSA-N 457.556 2.715 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1C 2362334009 WOUFJOZBQLNQRD-INIZCTEOSA-N 462.400 2.547 30 10 JFEE COCCn1cc(C#C[C@@H](N)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cn1 2365955903 DBBCATILAINYPW-HSZRJFAPSA-N 467.614 2.768 30 10 JFEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368337144 QJCPPJLOPDWSBB-NDHIBRFCSA-N 468.400 2.721 30 10 JFEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@](C)(CO)C1 2369094461 KYBSMQFGODJHBN-DEOSSOPVSA-N 464.387 2.929 30 10 JFEE Cc1cc(C)nc(N/C(=N/C(=O)NC23CC4CC(CC(C4)C2)C3)N2CCC(C(N)=O)CC2)n1 14161136 GHBKKFFNBOGCSA-UHFFFAOYSA-N 453.591 2.737 30 10 JFEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)ccc1O 21326649 AYDGJICBNVFKRI-CHOFVFFHSA-N 455.544 2.512 30 10 JFEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccnc1 170356687 APSDBDHSZLNZOT-FQEVSTJZSA-N 483.477 2.660 30 10 JFEE C=CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C 252586392 POVPBCVDLIEOSH-VDTWFERUSA-N 479.577 2.665 30 10 JFEE biogenic Nn1c(N/N=C(/c2ccccc2)c2cccs2)nnc1SCC(=O)NCc1ccco1 253578269 YCVUGCZYFDCVHS-NKFKGCMQSA-N 453.553 2.919 30 10 JFEE CC(=O)OCC1=C[C@@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)C(C)C)C[C@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1 257487337 MTXOHECJOIIIJM-DXPUSKSASA-N 460.567 2.737 30 10 JFEE N#C[C@@]1(N)CCC[C@H]1CCn1cnc(I)c1I 306073919 YBQKDNPKKOZEGK-KWQFWETISA-N 456.069 2.504 30 10 JFEE C[C@@H](C(=O)NC1CCC(OS(=O)(=O)c2cccs2)CC1)N1C(=O)c2ccccc2C1=O 586508247 UYTYSTRRJKXLPO-NFOMZHRRSA-N 462.549 2.566 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC1 608802212 ZBVFPNKDGMMTCX-UHFFFAOYSA-N 482.543 2.557 30 10 JFEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN([C@@H](C)C(=O)O)CC1 757339415 KIQYDFMHSNLGFO-MHECFPHRSA-N 475.545 2.534 30 10 JFEE N#CCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O 757403421 UMUFLQANLCBSMZ-HSZRJFAPSA-N 479.533 2.883 30 10 JFEE CC(C)(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)[nH]n1 916952460 GSHCTDDEKYGOIK-QGZVFWFLSA-N 457.556 2.843 30 10 JFEE C[C@H](CC(=O)NCc1ccc(N2CCCCCC2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1136276612 DLWWLESKCRDVJM-QGZVFWFLSA-N 455.584 2.596 30 10 JFEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 1136684253 FSSAPZCVQPYURR-MRXNPFEDSA-N 457.493 2.569 30 10 JFEE C#CCC[C@H](O)CNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1138990816 ASASNIAQGICQMA-AHSSXEFNSA-N 453.383 2.541 30 10 JFEE CC(C)Cc1nnc(NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 1171804475 CJAZMYMELDVQCA-UHFFFAOYSA-N 450.572 2.759 30 10 JFEE Cc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1S(=O)(=O)N1CCCCC1 1184827740 AUEGGSVWLQWLCR-UHFFFAOYSA-N 451.570 2.867 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286386446 ZXHHYQUKSBWNGC-INIZCTEOSA-N 485.532 2.587 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCOC2)C1 1286499154 FDDJUMHMLPWESW-OAQYLSRUSA-N 450.511 2.909 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H](O)C1 1286517125 DFAFWFJRGVORRJ-DRMXPCRNSA-N 471.627 2.739 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1286528242 SJFQRVOQFBPTRQ-HOYKHHGWSA-N 458.607 2.942 30 10 JFEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1C 1286711231 JSVDHYKVXDGUQU-FGZHOGPDSA-N 489.642 2.854 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286792268 SKXPLUPYEIJSNT-SFHVURJKSA-N 489.020 2.944 30 10 JFEE CC(C)(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1CCS(=O)(=O)CC1 1287004827 BZOYQWIYZHZHOP-UHFFFAOYSA-N 470.643 2.989 30 10 JFEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 1298037016 FLRJIBCFKRZBHV-OAQYLSRUSA-N 479.610 2.795 30 10 JFEE CNS(=O)(=O)CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)CC#N 1299300928 DCAZCZMGPVVTDE-LLVKDONJSA-N 475.800 2.649 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C 1300344444 CBPSAVWUIGUQPM-LJQANCHMSA-N 453.572 2.622 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(c2ccccc2OC)C1 1300432461 WHINQWSZZONPPX-CPJSRVTESA-N 453.587 2.923 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300481495 AOFYVFRYKKROJO-ZJSXRUAMSA-N 470.639 2.926 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300488834 GYTQGUVFIXJUKX-VPTFNQTCSA-N 481.043 2.526 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)[C@@H](C)CC)CC1 1300686291 ZTVNGQOULPZFIF-LPHOPBHVSA-N 463.424 2.862 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2(COC)CCCC2)CC1 1300726896 SRFRAQWRJUVFNB-OAQYLSRUSA-N 457.619 2.735 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1300745812 MBSJPCVOYZNXLT-MRXNPFEDSA-N 467.517 2.825 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1300883378 AJMSIEHPJMMANN-BZSNNMDCSA-N 471.524 2.658 30 10 JFEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300992403 YSUTXLVATBNWLM-GOSISDBHSA-N 457.556 2.816 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1301355422 VCPXSWIMYFTSAB-GOSISDBHSA-N 463.629 2.736 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ncccn2)CC1 1301452036 HWLZXSUPSGNJPS-SFHVURJKSA-N 454.579 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301489860 FIUSNDZVMSKAPZ-SJORKVTESA-N 463.369 2.802 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1301499304 BHVZWKPWKZOALQ-GUDVDZBRSA-N 476.622 2.604 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1301506763 RQGDQZSXCMJYMT-DYESRHJHSA-N 450.518 2.672 30 10 JFEE C#C[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 1312941062 WTMAZUBCHLGJFL-INIZCTEOSA-N 450.904 2.542 30 10 JFEE C#CC[C@H](CCOC)NC(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1313096538 BWMXGGFZYFFWFT-MRXNPFEDSA-N 457.600 2.531 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@H]2CCO[C@@H](C)C2)c1 1358902850 BENNQOVMIOMMIB-FPOVZHCZSA-N 478.597 2.662 30 10 JFEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1358913969 DVZIITWBGOIQHW-HSZRJFAPSA-N 485.654 2.612 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1358920313 WTYVYIRFDNKCKX-ZIAGYGMSSA-N 458.009 2.595 30 10 JFEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1358936686 URALTBMDYVKQGG-JOCHJYFZSA-N 450.587 2.866 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358958652 SWUAWTNUHLDDDF-NRFANRHFSA-N 467.595 2.529 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1358966811 XHSKLARTCHDIAB-HXUWFJFHSA-N 485.635 2.534 30 10 JFEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1359013754 KSXANUSKDHJXAM-XMMPIXPASA-N 471.627 2.533 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCN2CCCO)CC1 1359030442 WDOATXVGWPPNLS-ZEQRLZLVSA-N 480.657 2.637 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1359047786 TWROCTRFIBABKQ-BVZFJXPGSA-N 471.577 2.759 30 10 JFEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359085928 DTSDFQLUALJRHM-HXUWFJFHSA-N 465.396 2.734 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1359087408 DSNGEEBESKMOFZ-CQSZACIVSA-N 451.321 2.774 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1359095366 NPSZCJBRYNUALK-FPOVZHCZSA-N 455.584 2.811 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)NC(C)C 1359095883 TZEUFWKFGSRGQQ-PGRDOPGGSA-N 457.575 2.904 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(=O)N[C@H](C)CC)CC1 1359160996 MEPAUHGPRYWMKB-GOSISDBHSA-N 474.631 2.657 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359189913 YEPZERRMBXZWPO-GOSISDBHSA-N 478.688 2.870 30 10 JFEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359207581 OXAZUPVUQUGCSF-ONTLXTELSA-N 488.677 2.737 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(C)C 1359266213 WRKZNFDCFSQXSF-YUMYIRISSA-N 456.635 2.728 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359287034 IIJOZANMHAHPDZ-KRWDZBQOSA-N 459.551 2.848 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](COC)C1 1359293142 IMMOHYANOKMDAL-GOSISDBHSA-N 468.583 2.531 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 1359307054 ZGYAQPSQMBTJGX-KRWDZBQOSA-N 477.631 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1359326478 BBRUUJYVSBPCGU-INIZCTEOSA-N 454.618 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1359329449 JILDHGXULVSHHH-CVEARBPZSA-N 466.629 2.893 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)N1CCc2ccccc2C1 1360692968 CMCVEBDHKAKVHL-KBMIEXCESA-N 499.685 2.855 30 10 JFEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)sc1C 1360897301 AWMMCGNOEIDLED-UHFFFAOYSA-N 465.583 2.604 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(n3cc(Br)cn3)CC2)c1 1474937666 PRRDTOFOVDEBQC-UHFFFAOYSA-N 453.362 2.587 30 10 JFEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)cc1 1492455853 DQOZVWJFUPFFKK-UHFFFAOYSA-N 462.645 2.947 30 10 JFEE 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JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740935830 YBAMFUXQRJXSRC-NRFANRHFSA-N 466.611 2.857 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnccn1 1740968553 KIORZJOLEJFTFP-UHFFFAOYSA-N 456.510 2.965 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)CN(C)C)C1 1740977551 VIXUIPRYBWSGIG-SFHVURJKSA-N 475.663 2.607 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2cccn2)C1 1740982824 XKMLJXRDWWRBPU-PMACEKPBSA-N 487.605 2.655 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C)n(C)c2=O)C1 1740984803 KFERXKPBPNKSAR-LJQANCHMSA-N 453.518 2.833 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1747426369 DUHISUWVBJJQMY-UHFFFAOYSA-N 499.685 2.801 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1748642361 NTDADYPYXAJZMK-KCWPFWIISA-N 480.657 2.989 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748809600 OISBGJZXWHLEIY-VABKMULXSA-N 481.622 2.895 30 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30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740988960 VFADTXIYEUHGNL-UHFFFAOYSA-N 497.021 2.651 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CCO1 1741745851 HXFBHOQUAUTBIV-NRFANRHFSA-N 455.559 2.664 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1748693080 XKSYTPSLLYETGN-FQEVSTJZSA-N 455.584 2.569 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1748724749 ZICIKASJRJAFMM-UHFFFAOYSA-N 496.559 2.968 30 10 JFEE C#CCCCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748730943 SHRYNJIFFZQGEN-OTWHNJEPSA-N 456.591 2.663 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748812591 XLENYAGZAZWDML-DNQXCXABSA-N 492.649 2.832 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1748812617 YCXOLOQHCVXNKV-OAHLLOKOSA-N 494.440 2.783 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1748814377 DXNDABPOWQXHTK-VXKWHMMOSA-N 456.612 2.820 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748824173 KMTFAPMFNOASFA-MRXNPFEDSA-N 486.516 2.835 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1-c1cnn(C)c1 1748867294 FEQDNWYVEGPNAA-SANMLTNESA-N 458.566 2.842 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnc(C)s2)CC1 1748980106 ZKIQYUSEOITEBR-UHFFFAOYSA-N 464.418 2.733 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[C@H]2COCCO2)CC1 1748984971 YARLUGNWUGMUSV-DEOSSOPVSA-N 467.614 2.931 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1749016943 QRNWFYURDKRTLU-DENIHFKCSA-N 453.562 2.525 30 10 JFEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1749408797 MJTVGNUNRSKFLG-UHFFFAOYSA-N 466.586 2.841 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749658835 WHKPMGINABMSBU-INIZCTEOSA-N 475.977 2.684 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CN(C)C(C)C)CC1 1749659975 KVXXMOUZVFQJCU-UHFFFAOYSA-N 468.602 2.575 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749664365 LLWOEVGSXSHKJV-SFHVURJKSA-N 454.556 2.599 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1749687134 LQFJIRVCNAQQDI-QPPBQGQZSA-N 453.543 2.661 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1749712729 LFORSADARBXSQV-VAMGGRTRSA-N 465.664 2.852 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@H]2COCCO2)C1 1749719295 RUYSGJRNCWEYMQ-UFYCRDLUSA-N 477.606 2.937 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1749735231 QEDRMSVOCSVNQI-OXJNMPFZSA-N 482.553 2.629 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1749736577 LJUFHNKUSVWWEF-OAQYLSRUSA-N 471.558 2.582 30 10 JFEE CC(C)COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1750854386 FXBHJPBHAMUPRZ-PGRDOPGGSA-N 461.563 2.705 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1760181322 SGYZZYFBGLFKAC-HKUYNNGSSA-N 499.568 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C=CCNC(=O)Cn1c(N2CCC[C@H]2c2ccc(OC)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1286792669 FAMWPOOGHKJGBX-SQJMNOBHSA-N 469.586 2.971 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286816076 FHEWFYLLKYBENY-UHFFFAOYSA-N 466.611 2.884 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286817762 XOQNMHBEPRCXFY-LJQANCHMSA-N 498.653 2.795 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C)=C(Br)C1 1286822986 QEPJPCWORFJVCS-UHFFFAOYSA-N 466.405 2.744 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286824456 YNSPERFPUURDFJ-MRXNPFEDSA-N 498.074 2.882 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1288267536 CIYFWMRBBOJSBF-OAQYLSRUSA-N 472.615 2.540 30 10 JFEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1295083294 CQMDWSZHONSQKJ-UHFFFAOYSA-N 479.610 2.591 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1300479277 KTGSDPBAPXURIT-INIZCTEOSA-N 452.527 2.852 30 10 JFEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1300481732 BSJZWLWITZLHML-AUSIDOKSSA-N 464.632 2.548 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300489096 IRXAGSVQSJJFSB-HXUWFJFHSA-N 454.552 2.690 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(NC(C)=O)nc1 1300554610 GMXRJDLBOOISLX-UHFFFAOYSA-N 489.967 2.726 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(=O)NCC)cc1 1300591203 NFUXIABABVTYLN-UHFFFAOYSA-N 474.590 2.531 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCSC1 1300665068 XDLLMPJDZXKHAX-KRWDZBQOSA-N 452.584 2.514 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2cnn(C)c2)CC1 1300682408 HFVNZFXODXOLLS-LJQANCHMSA-N 451.550 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCOC(F)(F)F)CC1 1300732238 ZZFSHDULSNOGNU-UHFFFAOYSA-N 483.466 2.889 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300834482 RAMVGCRVJIEWQI-CQSZACIVSA-N 466.771 2.942 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300870246 RNWUMZPZWBNQQR-YHYVQYDKSA-N 490.626 2.957 30 10 JFEE COC[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1300984587 FRTAMLMGZWDONJ-KRWDZBQOSA-N 497.600 2.889 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1300994185 ODZKBZCTXDWDFO-LJQANCHMSA-N 453.547 2.941 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CN(C)C1=O 1301414829 JQCSFERHDFZONG-SFHVURJKSA-N 454.394 2.886 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1301429364 ZSJLKBFXILWGEQ-AZUAARDMSA-N 458.994 2.595 30 10 JFEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1301470198 SGYJYXQNHHZCRL-LJQANCHMSA-N 468.602 2.621 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccc(OC)cc2)C1 1301558046 SRFWWDPHRBCHOH-GHTZIAJQSA-N 474.627 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCCCC1 1301576961 JDMSIMVZGXJLMT-UHFFFAOYSA-N 470.603 2.538 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2nc(C)no2)CC1 1301595576 WTYHNYJYDIDBGJ-UHFFFAOYSA-N 454.560 2.920 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1358897342 XHZRUZMNLILUBE-HNNXBMFYSA-N 460.567 2.869 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359051553 ASQPOURGRAFBPK-FQEVSTJZSA-N 451.017 2.980 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359058613 KKXUYHLETNMUGY-SFHVURJKSA-N 453.033 2.902 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1359062881 WZCVNPNTXHOEGC-PTLVVNQVSA-N 456.612 2.775 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1359101350 NILYXDWOGNQZMV-CTVDGRRTSA-N 482.629 2.613 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359130632 QLQMODGPSCRGRA-UHFFFAOYSA-N 452.607 2.549 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1359142318 FIABVHWWHVPJHI-QRFRQXIXSA-N 465.023 2.699 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359152509 ZDLZYIOMZXEXOS-BBWFWOEESA-N 480.997 2.586 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359161429 CTVDBONONSHFSF-LJQANCHMSA-N 457.383 2.958 30 10 JFEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359223684 STXUGZJLSLVQAV-RDTXWAMCSA-N 497.365 2.800 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCCC2)CCOCC1 1359234019 ZVXGWELKWMLMJK-UHFFFAOYSA-N 459.616 2.616 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359245629 WVHHBPNCTBFCGV-PMACEKPBSA-N 489.665 2.915 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1359264801 PZQBKXZYOSJKAH-UHFFFAOYSA-N 458.613 2.554 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1359274802 AEBHCCZTLZEXTH-LJQANCHMSA-N 451.552 2.928 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1359297993 JJSHHYOIHJIQEA-UHFFFAOYSA-N 477.960 2.631 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CC=CCC1 1359301282 VWYNVAQRJWCGIG-IBGZPJMESA-N 450.591 2.547 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2ncccc2F)CC1 1359305625 ISDJCNYJDKVHET-UHFFFAOYSA-N 497.600 2.742 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1359318412 DTJHIZXJRNUQLN-NRFANRHFSA-N 453.568 2.714 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359328976 UPUKPQQOFVCQBP-INIZCTEOSA-N 473.555 2.569 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1359332112 PPJBTFSPNLEDQY-IBGZPJMESA-N 479.578 2.702 30 10 JFEE C=CCSCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359346079 AFMARAYDZPOHPF-XMMPIXPASA-N 483.642 2.831 30 10 JFEE C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1360769379 HWTHQNIOWPTXPW-HXOBKFHXSA-N 460.529 2.846 30 10 JFEE C#CC[C@]1(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)CCCN1C(=O)OC(C)(C)C 1440067162 VLTBRMJMOGQPKP-JLTOFOAXSA-N 451.365 2.870 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@H](c2ccc(F)cc2)C1 1471702232 GGWAAWMGEBHWGO-PMACEKPBSA-N 458.559 2.596 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1501748450 CMXUSJMQQKPTIU-FCHUYYIVSA-N 466.586 2.850 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1 1504873299 DMJOCNSOSWNZOI-NHCUHLMSSA-N 489.667 2.991 30 10 JFEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC1 1505137880 HXUSQBZSKPQVJM-UHFFFAOYSA-N 486.623 2.505 30 10 JFEE CSC1(Cn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)CCOCC1 1505196608 BEYAVPCOZYQNAE-QGZVFWFLSA-N 470.647 2.865 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCn2cc(Cl)cn2)c1 1507551410 DPHHIZOMSPUCHB-UHFFFAOYSA-N 491.987 2.746 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1507576056 JMNIISHKOZQECZ-UHFFFAOYSA-N 498.697 2.757 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507622986 NPDGORTWYYQMHK-APWZRJJASA-N 479.597 2.783 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1507627416 JDTLJCHRICJBKH-HNNXBMFYSA-N 499.456 2.989 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1507640831 WQPJQQPWWRTJMP-JOCHJYFZSA-N 499.681 2.914 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1 1507641175 AEMYFYYUJAVMII-JOCHJYFZSA-N 477.487 2.776 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507656349 GNYNCJAUDVQPPG-QGZVFWFLSA-N 470.599 2.598 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccnc(SCC)c2)CC1 1507719232 ZQZYPVDGKMKRIA-UHFFFAOYSA-N 496.662 2.659 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nnc(C)s2)CC1 1507722188 QTOGLRNLGCPOHP-SFHVURJKSA-N 451.600 2.998 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(F)cc2Cl)CC1 1507738333 NMEWLFOITNZVEF-UHFFFAOYSA-N 467.936 2.736 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2oc(CCC)nc2C)CC1 1507742464 ILLKJUCUBPTJOM-UHFFFAOYSA-N 461.570 2.527 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507837539 SIUOMDFFJRJGBM-SJORKVTESA-N 452.552 2.773 30 10 JFEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)NCC(F)F)CC1 1507882227 DKAKFFCPNKRMCP-UHFFFAOYSA-N 471.512 2.774 30 10 JFEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1507988157 PZTLEXVJFWEWGT-BTYIYWSLSA-N 466.991 2.776 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1508007733 HGAPIBGNDUPNJQ-UTKZUKDTSA-N 481.713 2.872 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1508008442 OCZANGOGYGJKKP-ICSRJNTNSA-N 477.606 2.989 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508072308 DCXXIFLUERQXGH-UHFFFAOYSA-N 492.971 2.503 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(N(C)C(C)=O)CC1 1508074277 RPMYCTCKDDBVHA-UHFFFAOYSA-N 493.381 2.596 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1508084063 GQLSPWZYOSYGCE-UHFFFAOYSA-N 480.642 2.781 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cccc(OC)c2)CC1 1508130215 GSSVIFFLNVIFHO-UHFFFAOYSA-N 487.626 2.508 30 10 JFEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508150747 PQFUZRYDSOFCKV-HSZRJFAPSA-N 465.583 2.550 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1512696074 GKIMISUVDXKGRB-CHZKFRDHSA-N 465.646 2.830 30 10 JFEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1514268226 FEFGKBKIYJOBLQ-RUZDIDTESA-N 466.586 2.729 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(-c3ccccc3OC)c2C)c1 1535253321 SFZYNNVDKDLNLZ-UHFFFAOYSA-N 458.518 2.676 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1539071458 AAJWEZVCJRDFON-OAQYLSRUSA-N 470.599 2.532 30 10 JFEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539111154 OGIKQRYUIOXQQZ-QZTJIDSGSA-N 468.558 2.504 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539219370 JIRZFKWRLJCASO-DENIHFKCSA-N 490.073 2.881 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539221483 OORCPTKCWUGJQC-FXAWDEMLSA-N 460.575 2.526 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1539230750 QBVCWSWQQLXANI-HXUWFJFHSA-N 497.646 2.507 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](CC)N2CCCC2)CC1 1539427820 JBFNIUPVWRPEPT-HSZRJFAPSA-N 463.630 2.777 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1539556435 CLJPZVIREAFTEM-PMAPCBKXSA-N 479.647 2.818 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1539803924 OGXQKJHISQGLEA-RDJZCZTQSA-N 472.036 2.637 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1540869733 VHCDKNYAZQLALI-UHFFFAOYSA-N 465.602 2.616 30 10 JFEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540881469 JVWLUQYULVIZKR-UHFFFAOYSA-N 462.554 2.785 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCNC2=O)CC1 1540919208 JSLRKRULIANBKT-UHFFFAOYSA-N 461.661 2.937 30 10 JFEE CC(C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1541287763 DYAWQOUFOCYDOS-UHFFFAOYSA-N 463.630 2.977 30 10 JFEE C[C@@H](C#N)CN(C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)C1CC1 1546327767 BKIRCTCUQNJNIN-KXBFYZLASA-N 453.568 2.873 30 10 JFEE Cc1nn(C)cc1C(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397464 WQNUCGBCSMNRMB-VQTJNVASSA-N 488.514 2.709 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1555990233 AKKOXGWUMKZJJD-QGZVFWFLSA-N 486.445 2.837 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1587990437 XINIDEVYNQCFRF-CYFREDJKSA-N 473.574 2.773 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588059324 LWFKWNPQUHYRLC-IBGZPJMESA-N 479.647 2.503 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1588229470 XJAYLSBQWOIXDL-HXUWFJFHSA-N 470.618 2.770 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1588767996 AAWQPBYOMBJAAM-UHFFFAOYSA-N 481.482 2.956 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1588908297 NRKWVEFQUYNLIU-UHFFFAOYSA-N 483.498 2.962 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1588993717 LYKWRWGGUFQNAG-XDHUDOTRSA-N 488.610 2.722 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1589059650 HHKPZUJNHRBESA-ROUUACIJSA-N 499.703 2.628 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1589068447 BWYYPZACHYTULL-HKUYNNGSSA-N 481.043 2.778 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCOCC1 1589070893 YQCBIPUDRRSWHT-UHFFFAOYSA-N 455.632 2.681 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1595076232 YEUCJRYGKYJIGG-IBGZPJMESA-N 483.594 2.833 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595477441 VDIAMRLCHBMSHO-GOTSBHOMSA-N 496.656 2.886 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)s1 1595530640 KUMMUJRJTCPERQ-HZPDHXFCSA-N 471.645 2.764 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1595608844 YVJROPSERXKYRE-UHFFFAOYSA-N 482.610 2.813 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(CCCCC3)O2)C1 1595672743 CVLPQVSZDXFEFM-OTWHNJEPSA-N 467.636 2.552 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC(=O)N2)C1 1595699095 BPMZQHLSLOYLLV-CABCVRRESA-N 464.339 2.907 30 10 JFEE CC(C)N(C)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1607931639 CBBYGGFKMVESAX-UHFFFAOYSA-N 450.566 2.961 30 10 JFEE Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1611893370 AVPFOQOZRANVHU-HOCLYGCPSA-N 479.006 2.767 30 10 JFEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC 1613489103 GVCUOQKDKLRIDX-QFIPXVFZSA-N 479.629 2.765 30 10 JFEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1614714316 GPHCDRBFGMHEBP-HSZRJFAPSA-N 451.619 2.850 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CCOC1 1616145207 GBJIOOIANQGDSC-QFIPXVFZSA-N 455.950 2.988 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc23)CC1 1632624231 PXBKXHLTAFHSTI-UHFFFAOYSA-N 450.583 2.971 30 10 JFEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)CC1 1633141329 VXCMUKVEABCDCE-KRWDZBQOSA-N 453.402 2.677 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1639458878 KRQARYWMTWDPAW-FUHWJXTLSA-N 451.951 2.818 30 10 JFEE C=CCOC[C@@H](NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C)C(=O)OC 1648741537 RTTVHZQBIVRYPG-MRXNPFEDSA-N 453.417 2.551 30 10 JFEE Cc1c(Br)cccc1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1651560420 CMSGPKPNYOLXIT-AWEZNQCLSA-N 450.358 2.655 30 10 JFEE C=CCOc1ccccc1CN(C(=O)Cn1cncc(F)c1=O)c1ccc2c(c1)OCCO2 1652843802 ZCURVXGMHHLILA-UHFFFAOYSA-N 451.454 2.952 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)OCC)c2ccc(F)cc2F)c1 1656990608 CEHYWPDHUOVLLY-LJQANCHMSA-N 452.479 2.853 30 10 JFEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1664132407 HHCDLSLMRZYWLD-CABZTGNLSA-N 454.268 2.541 30 10 JFEE C#CCN(C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1668739151 NPEPMGZGICNJJD-QGZVFWFLSA-N 458.411 2.790 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](F)COC)c1 1689871649 BBRXTVYMOILILT-KRWDZBQOSA-N 456.547 2.675 30 10 JFEE C#CCCCCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1689888922 URBFIDGHDCCDCL-HSALFYBXSA-N 491.658 2.866 30 10 JFEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 1689900561 JFNOKMPGSJICEQ-UHFFFAOYSA-N 491.684 2.751 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1689911017 XWNVXDQWWXOBEP-QHCPKHFHSA-N 463.630 2.777 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689984970 ZHRPEYIFDMAFQT-INIZCTEOSA-N 492.026 2.933 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992818 PBPVELNPFILFOP-DNQXCXABSA-N 483.682 2.924 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689993926 NUNBOUFMJFMUJJ-OAQYLSRUSA-N 456.612 2.889 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC[C@H]1C 1690006317 NLNYCJSKWLASIE-OAQYLSRUSA-N 482.654 2.533 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnccc1OC 1690072672 PNEYHJUCBUJTHC-UHFFFAOYSA-N 457.538 2.976 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)C(F)(F)F)CC1 1690138279 XPLADCUDUGZUIP-HNNXBMFYSA-N 459.513 2.556 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN(C)C(C)C)CC1 1690148514 JYXWJWNLUCKZHT-UHFFFAOYSA-N 454.594 2.704 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1690154151 JGXVFNYWFHDSHR-NHCUHLMSSA-N 486.567 2.677 30 10 JFEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690231508 DSRDPDDRTFKFJE-UHFFFAOYSA-N 465.440 2.710 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1690265351 NAYSNZUHXMJWJH-HXUWFJFHSA-N 479.672 2.925 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690296715 IZWANRXUNXKQIY-UHFFFAOYSA-N 479.610 2.976 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCO1 1690556424 WSAZBVVBDWHUBY-TZIWHRDSSA-N 460.600 2.951 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OCC=C)C1 1690665583 IYSGSOFJBADJEE-HNNXBMFYSA-N 464.339 2.930 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690676769 CSTQPIDAOREBCA-INIZCTEOSA-N 498.575 2.954 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)cc2)C1 1690686317 MATWPOYOIQQHGJ-CRAIPNDOSA-N 453.996 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1690731213 CSRVFBWAIOELBY-NHCUHLMSSA-N 460.600 2.871 30 10 JFEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690733340 BESGZKRNQUBVAO-LPHOPBHVSA-N 488.589 2.949 30 10 JFEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1 1695949120 HWFZFYXAFXCENH-UHFFFAOYSA-N 495.628 2.985 30 10 JFEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(N(C)C)CCC2)cc(OC)c1OC 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CCO[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2359268530 UGCHIPOJLLPWAB-NVXWUHKLSA-N 464.368 2.581 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)OC(C)(C)C1 2362508404 MHIUWXVAZRVPQZ-CQSZACIVSA-N 481.424 2.587 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3C#N)[C@@H]2C1 2364922236 KIGPBQBQAVVYHU-WOJBJXKFSA-N 455.364 2.682 30 10 JFEE C=CCNc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NCCN3CCOCC3)[C@H](O)[C@H]1[C@@H]2C 3840504 NRHKLRSDQIMMSS-BOJHYSLSSA-N 476.687 2.879 30 10 JFEE biogenic CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(N(C)C)cc2)n1N 20527615 MUHZFXCPVKDLAV-YDZHTSKRSA-N 454.560 2.633 30 10 JFEE C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN([C@H](C(=O)NC)C(C)C)C2=O 35971630 ORDMWHGNLKJRDI-ROUUACIJSA-N 450.461 2.825 30 10 JFEE CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccc(I)cc1 59500182 PPSFKULVMUZPAM-LICLKQGHSA-N 474.280 2.896 30 10 JFEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c1C 103095052 ZHQXDMPRZGULJC-HHUUSFLGSA-N 495.576 2.871 30 10 JFEE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)S/C1=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1 104058675 ITKZBSRUJFWEBR-UMRDTUAGSA-N 470.488 2.764 30 10 JFEE C[C@]12C=C/C(=N/OCC(=O)N3C[C@H](O)C[C@@H]3C(=O)O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 504706707 AKYJOMTULZVOCZ-UTFRATSNSA-N 486.609 2.895 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)[C@H](C)C(=O)Nc3ccc(OC)cc3)cc21 586275115 LOCUCRCVVYINTR-YPSMLTEGSA-N 456.520 2.565 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@H](C)C(=O)OCc2ccccc2)nc1C 586302814 IVKBKHRNDGHUIR-ILHIWHGASA-N 450.538 2.613 30 10 JFEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)Nc3ccc(C(=O)O)cc3)c2C#N)C1 586342523 XAUVZBCOLHZELJ-VEWZGRNOSA-N 459.549 2.769 30 10 JFEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 729672759 HGKBUPBNFZJWQL-UHFFFAOYSA-N 463.950 2.713 30 10 JFEE C=CC[C@@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757296773 KGIBETTXXNCTBN-AOMKIAJQSA-N 452.507 2.812 30 10 JFEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@]1(C(=O)O)CCCOC1 757466598 NOSMALSIIYCWTK-KCWPFWIISA-N 476.529 2.915 30 10 JFEE C=CCn1c(SCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccccn1 1188926503 PSFKQCUBMPGGKL-HNNXBMFYSA-N 454.531 2.751 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC(=O)N(CCOC)C1 1286281580 KAHYXOSRJYOGBY-KGLIPLIRSA-N 466.405 2.722 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286416889 ZNCZCZIYRQLKFU-RBUKOAKNSA-N 496.637 2.988 30 10 JFEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1286468815 KRPMXEGSDDPIFE-URXFXBBRSA-N 451.571 2.654 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C(C)C)N1CCOCC1 1286470479 WJOLXPRPFRWYOR-YPAWHYETSA-N 461.651 2.640 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1286488575 OTGZADVYCHPFKZ-IDISGSTGSA-N 495.624 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC(C)C)CC1 1286490849 UOYISROFHZGWGO-UHFFFAOYSA-N 475.597 2.594 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](OCC)c2ccccc2)CC1 1286494241 SYJDBLIGZXYDTM-FCHUYYIVSA-N 451.571 2.526 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1286495661 BPGOXZQOUBRYIF-FUHIMQAGSA-N 477.656 2.851 30 10 JFEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286510299 ONDHNPMVQBXEMJ-KRWDZBQOSA-N 466.032 2.541 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286511562 MOOWBSVRLCMSED-QGZVFWFLSA-N 499.456 2.609 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1286547923 QPYVSDMDGWGHSN-ZOBUZTSGSA-N 488.452 2.749 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1286619829 DGWWQHNGYYGQSY-HIFRSBDPSA-N 453.952 2.711 30 10 JFEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286686350 DUILCPCKASIPJT-KRWDZBQOSA-N 470.599 2.655 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 1286725451 UITLUBNYJDWCBQ-UHFFFAOYSA-N 481.626 2.721 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286790831 QGDJFNHUCSVDSQ-GOSISDBHSA-N 470.574 2.571 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1286791370 SBGJSBUXOYROPA-YTZAWJCFSA-N 474.606 2.658 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(F)c(Cl)c2)nnc1[C@@]1(OCC)CCOC1 1286792774 HMMHNJFEBDDSHO-OAQYLSRUSA-N 451.930 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 1286814758 GDDWLXDVTYTUHO-UHFFFAOYSA-N 481.420 2.777 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286818279 VCHGTUPVXYWTQJ-JOCHJYFZSA-N 495.653 2.846 30 10 JFEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)cn1 1295908859 APEWYDWQSQJOCA-UHFFFAOYSA-N 475.645 2.943 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1296307172 CGKLJAGIWCVXEK-WOJBJXKFSA-N 464.618 2.789 30 10 JFEE CN(C)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1298023686 FKKQSMVPSPNMJV-KGLIPLIRSA-N 451.394 2.838 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@](C)(O)Cc3ccc(OC)c(OC)c3)n[nH]2)c1C 1298747257 RLONLDMWTCKZCB-DEOSSOPVSA-N 453.543 2.817 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1300364154 IFYKETDWLUOIHI-OXQOHEQNSA-N 481.569 2.890 30 10 JFEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300400661 IOQJYTPIIZZVJE-HXUWFJFHSA-N 464.614 2.936 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300500855 FFRFDJQMVIYZKX-LJQANCHMSA-N 462.641 2.642 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncnn1C(C)(C)C 1300535020 HKMKFBWMGQVMTA-IBGZPJMESA-N 480.617 2.860 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1300618607 JGLAILDRRSAEAO-UHFFFAOYSA-N 458.570 2.923 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC2(O)CCOCC2)CC1 1300690094 AXFPNCUSIJSMGS-UHFFFAOYSA-N 488.430 2.703 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301483489 PTXSILBUXRZMML-HKUYNNGSSA-N 484.601 2.995 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCc2c(ccnc2N(C)C)C1 1301518583 JCVOXTHOUXOCLE-UHFFFAOYSA-N 493.637 2.905 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCSCC3)CCCC2)C1 1301535287 KKPLCFQFCGJENV-IBGZPJMESA-N 462.664 2.559 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCCCCC[C@H]21 1301566696 AVBLIFLYBPCMBY-PKOBYXMFSA-N 451.637 2.956 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301586993 LDOSKRAJEMCJSU-YLJYHZDGSA-N 464.035 2.796 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](OC)C1 1301592859 FGDKZDSDIGMGQW-GOSISDBHSA-N 499.431 2.836 30 10 JFEE CC(C)c1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)n1 1302543559 CKTFGQSAGVZZPV-QGZVFWFLSA-N 486.623 2.980 30 10 JFEE CN(C)C(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1314635399 AWXBBNGROZUQFH-UHFFFAOYSA-N 464.961 2.670 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)C1 1314976306 DWXPHSGFXSDKBI-IBVKSMDESA-N 479.629 2.813 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1358870256 IZMQUHYGRGYYOR-FHWLQOOXSA-N 473.021 2.819 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1358962169 LVJNCRMFYQKRAG-HOTGVXAUSA-N 498.527 2.588 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CC)CCOCC1 1359002554 DOUCFSVMTNMNTE-UHFFFAOYSA-N 459.616 2.862 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1359037480 KVMBUDWDNYCJIF-QFIPXVFZSA-N 479.629 2.666 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H]1CSC 1359055199 WGOWUEYHUBMGTN-INIZCTEOSA-N 464.686 2.936 30 10 JFEE C=C(Br)Cn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359088614 PAJAZDSEAFQKIM-NRFANRHFSA-N 484.439 2.922 30 10 JFEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359107881 XJEZXVOXALFOSM-JTAQYXEDSA-N 481.663 2.537 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1359325050 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C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1507580396 BWRDMIIMOVCHOT-PZJWPPBQSA-N 475.601 2.855 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1oc2ccccc2c1C)[C@@H]1CCS(=O)(=O)C1 1507626292 NFYSINFRPHZUFC-RBUKOAKNSA-N 486.594 2.732 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507629764 PSKDPXXJRKPYQR-XJUOHMSHSA-N 469.655 2.940 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507632970 BXOJLEWBDLAZBT-LZJOCLMNSA-N 480.581 2.835 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1507670359 ITWSSWLISWMMTJ-UHFFFAOYSA-N 479.600 2.741 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccs1 1507700928 VJUFLCMPLQNQGT-FDDCHVKYSA-N 453.543 2.977 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2csc(-c3ccco3)n2)CC1 1507715711 HKGDYVJHFWSUPT-UHFFFAOYSA-N 467.599 2.717 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@H]2C)CC1 1507732138 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453.587 2.923 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccnc2)C(C)C)CC1 1359027908 AAXDEBGSDRLTTP-NRFANRHFSA-N 458.570 2.515 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(O)CCCC2)CC1 1359033382 ZWEOSUHJDLGAPR-UHFFFAOYSA-N 453.587 2.801 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1359144590 NKJNLXBQMUJXIN-NRFANRHFSA-N 466.007 2.955 30 10 JFEE C=CCCOCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359229695 RFTXOLYEGXLJCD-YDIMBITNSA-N 477.606 2.637 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](n2cncn2)C1 1359292395 OKHZVVRVMGXLIT-WMZOPIPTSA-N 470.965 2.807 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359303321 KCKJQXIOCBQARE-INIZCTEOSA-N 475.519 2.725 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359328865 QBCMFNJYSCMBBQ-UHFFFAOYSA-N 468.539 2.733 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359329897 YOOPXECEDWEIRN-KBXCAEBGSA-N 498.436 2.910 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1359335574 PAHPLBAVMOSDFH-UHFFFAOYSA-N 480.034 2.792 30 10 JFEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359339878 TXTLNXHGWUNXBB-QGZVFWFLSA-N 459.572 2.912 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H](F)C(=O)OC)c1 1462761242 WLTSWNYBMPELIK-KRWDZBQOSA-N 454.907 2.962 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)ccc2c1=O 1472630759 OGZNBRBMAARSAQ-OAQYLSRUSA-N 451.596 2.970 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(C)(=O)=O)cc1OC 1501233623 AOWJVDUQJCCDMQ-JOCHJYFZSA-N 461.588 2.917 30 10 JFEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1507591040 ICBZVIIJYBIKLC-ZWKOTPCHSA-N 458.360 2.983 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507756832 ZDKZIDHXCODREG-KRWDZBQOSA-N 460.673 2.690 30 10 JFEE C=C(Br)Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507793640 RHKRWSPEUQRJDT-FQEVSTJZSA-N 470.412 2.676 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507830752 WWVBOSQSRCQKAG-VQTJNVASSA-N 488.633 2.905 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1507982682 PUDZYLISQQQPOJ-UHFFFAOYSA-N 452.559 2.617 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1 1508006072 HRHIGTJONKHKGF-SFHVURJKSA-N 467.599 2.900 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1508040306 VZKLUOVPMQGIBL-OAQYLSRUSA-N 457.575 2.540 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1508074419 SFZFSSIZSXLTDN-SANMLTNESA-N 475.597 2.617 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCOC2)C1 1508129804 CUYIPZLFRHPJCK-HTAPYJJXSA-N 464.563 2.775 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CC2CCN(C(C)=O)CC2)C1 1508130822 IVZZCKRVERLZLG-QHCPKHFHSA-N 453.587 2.939 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508145193 KFMRMAXWWAKIRF-QGZVFWFLSA-N 455.625 2.523 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1508148682 XPKMNSBVCMYPQQ-HXUWFJFHSA-N 491.017 2.582 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508162015 JGMKUMHBXHLLLS-FQEVSTJZSA-N 455.632 2.765 30 10 JFEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1509779441 HMYHALWJTFWNGH-UHFFFAOYSA-N 481.645 2.542 30 10 JFEE CCCCn1c(CCC(=O)N(C)c2ccc(C#N)nc2)nc2c1c(O)nc(=O)n2CCCC 1527339907 HUIHQWYYKZFUFM-UHFFFAOYSA-N 451.531 2.761 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1539059438 PGGRVSGKCGFBSX-TZIWHRDSSA-N 453.587 2.923 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1OC(F)F 1539167786 MFDJLAQVDDKEOC-UHFFFAOYSA-N 460.510 2.957 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1539202212 GRCOKNGKVONYFU-WDSOQIARSA-N 464.563 2.609 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1539350510 OFTLRCOYVJAJDQ-UHFFFAOYSA-N 462.554 2.702 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC[S@](=O)C(C)(C)C)CC1 1539484453 PTFXYMWUZZETCG-DHUJRADRSA-N 494.665 2.863 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539517747 RVGIYMWDDIRDCZ-KRWDZBQOSA-N 499.703 2.628 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1539668518 AUBDFRPQWMLQSD-DLBZAZTESA-N 459.682 2.791 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539698156 LUROHHLHKNMIAK-UHFFFAOYSA-N 459.620 2.509 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1539752741 XWMYZBJMQGFLQR-UHFFFAOYSA-N 482.610 2.895 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539829887 JCYDZYZILGSLMG-GOSISDBHSA-N 478.018 2.843 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCN(C)C2)CC1 1539847109 JYTCJZFOHVGMBG-YADARESESA-N 460.623 2.616 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Br)s1 1540199064 VGJBNGPOWMUITI-AWEZNQCLSA-N 454.394 2.935 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1540864701 IRVCXVOKDUMVHS-IBGZPJMESA-N 454.966 2.951 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1540876491 STLXXJIHIIYIBM-HXUWFJFHSA-N 453.591 2.570 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1541218756 FCJFHEHBLVVOFC-UHFFFAOYSA-N 494.600 2.679 30 10 JFEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1)C1CC1 1547595760 FVHSXXCKOLXMNB-UHFFFAOYSA-N 479.629 2.908 30 10 JFEE CSC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555821203 CSVTXFRRVIMTPS-UHFFFAOYSA-N 459.595 2.895 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1588064164 BYNKUDLPPQPHGB-TZIWHRDSSA-N 474.652 2.594 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1588073692 BKFMUJXXPHCLGG-UHFFFAOYSA-N 456.337 2.590 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588620570 XQFWVDGVDJJIQO-UHFFFAOYSA-N 477.588 2.755 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(OC)C2CC2)CC1 1588908795 WRIQAHMBENEWAU-VWLOTQADSA-N 451.571 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1588930383 UYHDZJYCQVPKCA-FQEVSTJZSA-N 451.619 2.915 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1588993200 GKEMMSRXVGDCOQ-UHFFFAOYSA-N 454.600 2.704 30 10 JFEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589715997 ZWMXTPONTNWXDX-MRXNPFEDSA-N 454.394 2.802 30 10 JFEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1593671631 MVFHVCKECZPQIT-DEOSSOPVSA-N 468.646 2.973 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1594687016 BHAFDVCNAFTING-UHFFFAOYSA-N 478.439 2.992 30 10 JFEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1595026537 NUVLXEYOJYVWBO-MRXNPFEDSA-N 464.563 2.652 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1595094345 RDXISUPIXCOFGP-FQEVSTJZSA-N 482.610 2.651 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2Cl)CC1 1595784593 JGIXXKKKFMBZDF-UHFFFAOYSA-N 460.991 2.854 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CC(F)(F)C1 1617304333 BTTWVXYHQICKSF-UHFFFAOYSA-N 453.515 2.645 30 10 JFEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1619779076 BXAFBRFGUGQWSX-DHLKQENFSA-N 469.586 2.912 30 10 JFEE CS(=O)(=O)N1CCc2cc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)ccc21 1635679386 BAUFNGDKGRQENZ-NRFANRHFSA-N 458.971 2.685 30 10 JFEE C=CC1(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)CN(C(=O)OC(C)(C)C)C1 1637134861 KITPXQUTHBNBLU-UHFFFAOYSA-N 451.545 2.585 30 10 JFEE CCC[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 1637250865 CONYNGMUTZFCAO-FQEVSTJZSA-N 454.596 2.628 30 10 JFEE CC(C)(C)C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C(C)(C)C1 1653871223 BNLGNCDMTGEKGU-NRFANRHFSA-N 457.594 2.503 30 10 JFEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 1661408300 UDNMETPVEGDVMG-QFIPXVFZSA-N 456.564 2.503 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2nccn2C(F)F)c1 1689868758 QAVMGABDNTXTQE-DEOSSOPVSA-N 499.522 2.626 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1689873712 TYTJVPNMIXNXGW-UHFFFAOYSA-N 455.632 2.659 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1689918204 UZKARZKZKHJPPL-HXUWFJFHSA-N 451.531 2.849 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689994353 WPXCOUVZURXPOO-IFMALSPDSA-N 482.654 2.638 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)CCC(C)C)CC1 1690117664 QRTCQSCHJGDDRL-VWLOTQADSA-N 455.603 2.905 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1690190178 NFVOEVKMUZYXCK-GAJHUEQPSA-N 459.616 2.867 30 10 JFEE C=C(Br)Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690233884 UZROICIUBRJZNS-XLIONFOSSA-N 470.412 2.532 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690279936 NDWVEQYLHUNHHX-QGZVFWFLSA-N 461.588 2.543 30 10 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SBLNKARIISFAIB-APWZRJJASA-N 463.003 2.978 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](CC)N2CCCC2)CC1 1722440179 AAHJGCKMNXTTSP-BHIFYINESA-N 485.677 2.678 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)[C@H](C)C1 1722479075 BBAPZXRFDVKDEJ-OAHLLOKOSA-N 465.352 2.919 30 10 JFEE C=C(Br)Cn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722489468 PMPYEFPKWJQIPM-NMWPEEMBSA-N 470.368 2.519 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722507232 XMVULFDYVGFDJZ-KNKQGSTJSA-N 460.600 2.770 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 1722509559 NMXWEOHGMYLGNE-QMHKHESXSA-N 475.540 2.599 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722581371 UPDANQHKNVZJQP-UHFFFAOYSA-N 458.529 2.914 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCN(C)C1 1722661210 WVBGEJTUGMBRQL-XMMPIXPASA-N 453.566 2.538 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCCCC2)CC1 1722693736 YXKQOXGADRYUQJ-UHFFFAOYSA-N 468.602 2.719 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722741547 PCUXZKGAUCKPJW-HNNXBMFYSA-N 454.522 2.688 30 10 JFEE COc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c(Cl)c1OC 1730134605 HMEROSARZIPCLV-SFHVURJKSA-N 468.945 2.906 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)CCCO2)c1 1740561401 DXMVVVMKSASXIQ-IZZNHLLZSA-N 481.597 2.944 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1740619680 QPYFDBMWISWMIK-NRFANRHFSA-N 474.590 2.816 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1740620112 NQBKEFYUAGTDEO-RTWAWAEBSA-N 493.029 2.811 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1740622123 UWAXCUDNALATNF-GOSISDBHSA-N 489.548 2.868 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1 1740639963 HJQXDOVIEIEHSB-NRFANRHFSA-N 470.618 2.535 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(N2CCCCC2)c1 1740646487 AWRNHTASFSXILO-AREMUKBSSA-N 462.598 2.827 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccnc(-n2cccn2)c1 1740671703 MQUQNCJPMBHRKJ-HXUWFJFHSA-N 492.584 2.675 30 10 JFEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCCN(C)C)CC1 1740841643 ULWMJRWRWPXVGO-UHFFFAOYSA-N 452.603 2.792 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740849159 ZZEDYEKQPAVMIU-LEWJYISDSA-N 458.651 2.907 30 10 JFEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1740876081 NVTLNDRLSUPYAL-UHFFFAOYSA-N 489.665 2.617 30 10 JFEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740879061 DZSAPYPKQNZDDC-UHFFFAOYSA-N 452.603 2.994 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 1740966820 QNMGWWDRBHTNIS-NQIIRXRSSA-N 466.586 2.535 30 10 JFEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1748315935 HLUXWGUZUPVGGU-UHFFFAOYSA-N 464.570 2.997 30 10 JFEE COC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)c1 1748355640 BQSDQFHBMUXMFM-SFHVURJKSA-N 472.571 2.537 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1748760922 JCKOXYDLJATIDP-NFBKMPQASA-N 453.587 2.826 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1748761319 UFUXHZRGOXJALI-UHFFFAOYSA-N 464.614 2.713 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748819484 PENOUDFPBQTDST-MSOLQXFVSA-N 484.956 2.573 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1748823957 GHEKGPDNUJOHBZ-RPWUZVMVSA-N 499.681 2.744 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748824321 NYFDTCJWYDJWJO-YVWKXTFCSA-N 479.002 2.562 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCN1CCOC1=O 1748835611 FXHXOXZWSFZQJR-UHFFFAOYSA-N 472.343 2.631 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccco1)N(C)C 1748920232 FXHCUDAPXXYFFI-SFHVURJKSA-N 455.588 2.594 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1748949668 HHXJWOVCQJYPIA-UYAOXDASSA-N 457.550 2.902 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCNC(=O)C(C)(C)C)CC1 1748977754 BQDLHNZPUYSUNX-UHFFFAOYSA-N 491.409 2.764 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCCOC2)CC1 1748984798 ROVJFDNZQHVGEU-FQEVSTJZSA-N 453.587 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN(C)CC(F)(F)F)CC1 1749006538 QYTMRNOUYNDDPZ-UHFFFAOYSA-N 476.547 2.967 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 1749133937 RTJHSSMXDCBRBZ-QUCCMNQESA-N 450.509 2.929 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1749140965 WBUAKIMRDBCHAU-IXFSTUDKSA-N 455.559 2.514 30 10 JFEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749415475 QSYIACIWQWDGHZ-UHFFFAOYSA-N 477.569 2.749 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1749695625 GBAOQUOCZCCOSR-XUZZJYLKSA-N 463.630 2.872 30 10 JFEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)n1 1751740168 HENSJCQRQWDPFG-HNNXBMFYSA-N 451.556 2.624 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCN(CC)CC1 1760118005 WVUXRGFHTVULQS-NFBKMPQASA-N 452.603 2.666 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760215654 IRZQUBJLMDPXJB-URVUXULASA-N 476.581 2.827 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C 1760219464 FQIZDOBAJBLSHN-ACRUOGEOSA-N 471.602 2.722 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCS(=O)(=O)C1 1760245879 NPRGUIKGDIVTBL-OAHLLOKOSA-N 499.406 2.758 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760325545 QQZOPIGPOPNZPR-DENIHFKCSA-N 467.618 2.875 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760344214 DRRGZQWIJBLMBZ-CVDCTZTESA-N 482.629 2.917 30 10 JFEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760354408 ZSGXDJSVGIJPPA-HSZRJFAPSA-N 466.630 2.843 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760361300 VOCLFFJWZNDHEF-IRXDYDNUSA-N 460.497 2.943 30 10 JFEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C)c1ccccc1 1760362223 DJMPUDXQSWPOAP-PZJWPPBQSA-N 463.586 2.760 30 10 JFEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1760455636 UVGXEBORJXUFTB-SANMLTNESA-N 469.630 2.946 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1760499097 NZLVVBJUZHICBF-YADHBBJMSA-N 457.644 2.757 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760508646 BUTJDFFRFPUFSX-MRXNPFEDSA-N 453.547 2.977 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC[C@H](C)C2)CC1 1760618597 LPHNRCUOLORYKJ-NRFANRHFSA-N 479.629 2.909 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1cc(C)no1 1762305289 APEOTYLZPOUVSV-OAQYLSRUSA-N 463.542 2.991 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C[C@H](C)O1 1763581218 IAGNAENOIVJBBE-FXAWDEMLSA-N 473.599 2.557 30 10 JFEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1765751238 HIGQNBDAZNIHLE-UHFFFAOYSA-N 468.602 2.846 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCN(C(C)=O)C2)c2ccccc2c1=O 1767158919 CNKCLNJEBVIXNT-PKOBYXMFSA-N 476.585 2.672 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1nccc(C(F)F)n1 1768658573 BKMQTLXBNDJONZ-UHFFFAOYSA-N 452.469 2.798 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)N(C)C)c1 1769920031 DZFUOBQWRGDCHG-SFHVURJKSA-N 476.585 2.506 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)cc1OC 1770086630 GEHHXQYKBFNQCL-AEFFLSMTSA-N 486.573 2.852 30 10 JFEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCC1 1771341795 FZKGWBVKOBLRMQ-UHFFFAOYSA-N 483.516 2.678 30 10 JFEE CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCCN2CCOCC2)c(OC)c1 1862603788 HQHAMMYJUSSMBA-HSZRJFAPSA-N 482.533 2.710 30 10 JFEE 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C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286795621 KUBHQORXJWIQJG-UYAOXDASSA-N 489.642 2.633 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1csc(Br)c1 1286820379 KMBFLPRWLDXFEL-CQSZACIVSA-N 475.434 2.843 30 10 JFEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286825390 KEHJYWJYCVAWSF-CQSZACIVSA-N 481.395 2.980 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286833665 KTMIPFMRTJVFSL-UHFFFAOYSA-N 466.659 2.856 30 10 JFEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286834608 GUBJAPQDOFYOFU-LJQANCHMSA-N 456.616 2.949 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1287085647 FMDKLMMHCGXTCQ-PPGPUPIYSA-N 470.643 2.523 30 10 JFEE CC(C)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1287142486 AOHNDQDGORVJQZ-UHFFFAOYSA-N 495.628 2.985 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC(C)(C)O1 1291278755 BKACCTHNIUNMBD-IBGZPJMESA-N 468.602 2.579 30 10 JFEE 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450.992 2.976 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1301490274 PGLBPVDTIKBZPQ-SFHVURJKSA-N 484.992 2.959 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301520877 RPBINLDQULFAGJ-OFVILXPXSA-N 469.586 2.507 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1301530439 UWWIZBRPVNRMFB-UHFFFAOYSA-N 460.529 2.514 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H](C)C#N)CC1 1301763651 HDXOPRABSJZFAX-CQSZACIVSA-N 480.436 2.529 30 10 JFEE C[C@H](c1nccs1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1303627502 AXBJWCXALTZLRE-OAHLLOKOSA-N 486.552 2.538 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)cc1OC 1313502822 GIPOOXZHYLIZNX-NRFANRHFSA-N 482.585 2.730 30 10 JFEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)cc1Br 1315465643 AZNYOLDSLKIQLU-CJNGLKHVSA-N 461.364 2.981 30 10 JFEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 1318550612 HUYVXOYYVLEDAI-UHFFFAOYSA-N 491.576 2.890 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457.556 2.577 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C3)cc2C1=O 1618820743 PWTDUUDFJAPXDA-OAHLLOKOSA-N 451.445 2.732 30 10 JFEE CNS(=O)(=O)CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@@H](C)C#N 1618839441 BMILZEGJWSHUFL-LBPRGKRZSA-N 452.993 2.958 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918268 CPTIQWWWVNZLPQ-HLIPFELVSA-N 455.559 2.698 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)c1 1636646154 MNALYVZWOUMWQZ-QGZVFWFLSA-N 456.442 2.814 30 10 JFEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1649539960 BSUCGHJRNAKOOP-FGZHOGPDSA-N 492.672 2.584 30 10 JFEE C#CCN(C(=O)c1nc(S(C)(=O)=O)ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1651973507 NUPPJJATJOQQDR-UHFFFAOYSA-N 455.964 2.613 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)c1 1654478083 CCWDJFTXMWWZFM-UHFFFAOYSA-N 451.932 2.572 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H](C)N1CCCCC1 1689948790 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C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(Cc2csc(C)n2)CC1 1722703222 XGXRIVCRCOQZAB-UHFFFAOYSA-N 495.653 2.863 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC2(CCOCC2)C1 1722748808 AZICTZMUHWXUBI-UHFFFAOYSA-N 490.626 2.960 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1723070561 HHZGKAJBEPNHNJ-IRLDBZIGSA-N 498.653 2.773 30 10 JFEE CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1723124005 FBPYWHJORJXIRI-NTKDMRAZSA-N 485.658 2.756 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740566982 FGAWVPYTBUHMCF-KRWDZBQOSA-N 495.447 2.844 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1740620083 NDKOMYBKYOTYID-ZBFHGGJFSA-N 499.406 2.756 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1740621255 JSIDGPBLCABTQW-GOSISDBHSA-N 473.505 2.617 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnccc1OC 1740638671 NHWHWWJJCZGFLR-UHFFFAOYSA-N 467.533 2.761 30 10 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479.606 2.532 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507635579 XOCYTJYHUUMIKY-MOPGFXCFSA-N 495.690 2.996 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1507640952 WYWBUAGXGFUSOT-GHTZIAJQSA-N 499.662 2.902 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnccc1OC 1507651656 AOQWOYJPBWLQKO-UHFFFAOYSA-N 464.570 2.917 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1507753444 LHGWOCPVHDDFJU-KRWDZBQOSA-N 458.538 2.615 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC(C)C 1507772189 MPRDLDLLWVIXQJ-JBYIUTFZSA-N 451.637 2.517 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1507810117 WBNCDACWUYBYAV-MKSNKDDYSA-N 457.497 2.538 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507853494 JICHICMWVLVGLV-QGZVFWFLSA-N 490.967 2.581 30 10 JFEE C=CC[C@H](Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 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C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(-c2nc[nH]n2)cc1 1539155596 WIUYXWFGMBSKPF-UHFFFAOYSA-N 451.332 2.949 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1539210259 APBIGGWEHHMKQM-HOTGVXAUSA-N 454.955 2.789 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1539230366 MLGYQVOQPUCHEO-NQIIRXRSSA-N 490.651 2.778 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccc(CN2CCCC2=O)cc1 1539327628 BZTKWYJPCDKHJF-UHFFFAOYSA-N 452.562 2.898 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1539390900 YDQBNFCPIROSIG-SFHVURJKSA-N 486.349 2.667 30 10 JFEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1539428586 UEMOGSMQSMWDHA-UHFFFAOYSA-N 450.631 2.588 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCN2CCOCC2)CC1 1539429915 FAYPQVPIQBZQSZ-HXUWFJFHSA-N 473.021 2.549 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCSC2)CC1 1539446379 BUWXXIYFDPCZCY-WOJBJXKFSA-N 474.675 2.901 30 10 JFEE 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C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1300683237 XVHRUNSYBBHTOJ-UHFFFAOYSA-N 492.546 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1300722336 IWACOTQOSVXIGN-HSZRJFAPSA-N 475.515 2.962 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300884329 JIANJNIRLAWPCX-ZJSXRUAMSA-N 472.678 2.982 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300895242 NRSVTJOYKXFEPO-OALUTQOASA-N 487.630 2.532 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1300974882 OTENEYTVVXZJJY-SFHVURJKSA-N 477.631 2.792 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1301067150 XDKMCYXTJBWJQK-WOJBJXKFSA-N 460.648 2.955 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCOC[C@H]2C)CC1 1301072488 JEBTXWIMJGQNMS-GOSISDBHSA-N 457.575 2.848 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2nnc(C)s2)CC1 1301072565 MKYNAOHJZAPDAM-UHFFFAOYSA-N 473.628 2.754 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1301339780 SWJHMJPRTGXPTM-YADHBBJMSA-N 468.627 2.729 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1301366533 DJVXBPIULSYKIN-IBGZPJMESA-N 457.623 2.621 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](SCC)C1 1301485191 SXXQGNSABIPMKW-SFHVURJKSA-N 477.656 2.763 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1301490816 FHVVLJCKDSRRFL-UHFFFAOYSA-N 462.602 2.724 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCN(C(C)=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1301530423 UDEOKTZCOPYMRS-RUZDIDTESA-N 469.586 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301569586 ZQPZDYZZGUESAQ-MZYLBHOOSA-N 487.670 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(C)c2)CC1 1301578803 JFJCEISZRUBULJ-UHFFFAOYSA-N 454.600 2.519 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC2(CCC2)C1 1301586815 JTEDZZCPTYSZME-UHFFFAOYSA-N 450.992 2.882 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1301980685 FAWVUAFDBDTIKX-JSXRDJHFSA-N 473.666 2.735 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](c1ccco1)N(C)C 1303407569 GRQNDPAQWXYENK-JOCHJYFZSA-N 490.612 2.506 30 10 JFEE C=CCC1(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCCCC1 1308003588 ZILJDORGQPZIFU-UHFFFAOYSA-N 451.589 2.523 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(CN(C)C)c1 1314388990 FRCAPWJQLXIQBV-UHFFFAOYSA-N 460.586 2.518 30 10 JFEE C#CC[C@@]1(C(=O)N(C)CC(=O)Nc2cc(OC)cc(OC)c2)CCCN1C(=O)OC(C)(C)C 1355176328 WCGXJJZFMFWYMI-DEOSSOPVSA-N 459.543 2.894 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358960856 MWJNCRKCMNEGFT-GOSISDBHSA-N 473.986 2.643 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358965002 LWYNXNBTDIZDCH-LEWJYISDSA-N 497.596 2.887 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2c(C)nn(C)c2C)CC1 1359032915 ILMFENZLTJIMRB-UHFFFAOYSA-N 477.613 2.896 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)CC1 1359038941 QNSYLSHYTUJTFU-UHFFFAOYSA-N 476.581 2.642 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCCN2CCCC)CC1 1359043576 ZNBNPWHIHYSZJA-JOCHJYFZSA-N 463.630 2.961 30 10 JFEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359055012 PWBYTTGFLACYND-UHFFFAOYSA-N 484.651 2.901 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(OC)C1 1359056842 MJMMHHLJNGGPLT-HSZRJFAPSA-N 455.632 2.824 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359057719 GXAWWJILFCEQAV-MTQWCTHYSA-N 491.658 2.672 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCSC1 1359058095 SMZZNRKRKYTSGX-DLBZAZTESA-N 467.661 2.895 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1359060176 MYHDTEFYXAPGJF-UHFFFAOYSA-N 484.699 2.847 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359298973 QNJJIJJFIIPHEN-UHFFFAOYSA-N 476.459 2.796 30 10 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N#Cc1nc(NC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)ccc1Br 1467111146 FWTCPYDGAQCNKW-UHFFFAOYSA-N 458.316 2.837 30 10 JFEE C=CC(C)(C)CCCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1471246799 LLWZPTVZMZTIGZ-UHFFFAOYSA-N 451.589 2.856 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CCc3cccc(C#N)c3)nnc12 1472611177 OQGCRQBLXJYSIR-UHFFFAOYSA-N 458.547 2.895 30 10 JFEE CCN(C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1)CC(F)(F)F 1473215227 HJLDLEGILYSVFE-ROUUACIJSA-N 457.566 2.663 30 10 JFEE CCOC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1475445725 HKHHODVHNSFINT-UHFFFAOYSA-N 457.552 2.686 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1507552551 QDICQXGAFYLHOL-FQEVSTJZSA-N 490.530 2.550 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507555410 PWOBQBDUZWUPRM-IBGZPJMESA-N 466.405 2.854 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1507570379 NUFSQEVEJVZSOZ-UHFFFAOYSA-N 463.586 2.763 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1Cl)N(C)C 1507673400 SWCCPSQUXTVBRC-OAQYLSRUSA-N 452.990 2.820 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(NC(C)=O)nc2)CC1 1507732686 JIIFRQCNOGINPW-UHFFFAOYSA-N 491.621 2.736 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](CCC)OC)CC1 1507732747 KJFVJROBXDJNDY-HSALFYBXSA-N 460.623 2.619 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)NC(C)C)CC1 1507741628 YEBNSCURKJVJQA-UHFFFAOYSA-N 482.654 2.759 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507749183 WTXVFFUYSTXYOD-AWEZNQCLSA-N 455.481 2.955 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507798663 HIQZYVPPUXWPLS-DMUMMCEESA-N 474.606 2.656 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507807247 PAKDRQKDDQHDJD-IRLDBZIGSA-N 469.634 2.816 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507827304 GFWBOYKRIPZHRC-UHFFFAOYSA-N 460.966 2.757 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1507915464 VSLCCIFTVBJOMD-MRXNPFEDSA-N 481.692 2.578 30 10 JFEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507926992 ZCXQJVLLPYBASJ-UHFFFAOYSA-N 454.575 2.677 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1507988835 SLYFCCLDNSKIAP-IBGZPJMESA-N 499.559 2.767 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1508049472 XBFTXZFHKRAFTQ-XJKSGUPXSA-N 459.494 2.671 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508093675 VZLHEALGEVYKEZ-RDJZCZTQSA-N 453.465 2.624 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1508111762 IMXSTTFZIJUZCW-URXFXBBRSA-N 463.630 2.872 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCn2cc(Br)cn2)C1 1508125175 HRPIYRFEPJUAEL-GOSISDBHSA-N 458.364 2.704 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508701851 BSDRPMQOXLDWKG-KGMZSHBCSA-N 468.627 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CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)Cc1ccc(F)cc1 1554288410 HLMMSYNAGNUGGY-QHCPKHFHSA-N 466.496 2.638 30 10 JFEE C=CCC[C@@H](CO)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1556585878 HHMFNENPHWEVKF-RBUKOAKNSA-N 458.584 2.556 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCNS(C)(=O)=O 1587567459 FWWFTZLBQVWCEY-HNNXBMFYSA-N 458.613 2.774 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)OC(C)(C)C 1587581189 XLJBXZIOZZZNED-MRXNPFEDSA-N 461.588 2.721 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1588069447 OHKKNJPUUXFFBD-LEWJYISDSA-N 458.653 2.833 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1588069602 RATBLULOQKDFFU-HXUWFJFHSA-N 485.997 2.775 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCO[C@H]1CCOC1 1588134523 ZKBBRNQKRGUIQY-RTWAWAEBSA-N 471.602 2.661 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CN(CC(C)C)CCO1 1588189262 GRSBVVXLXCPZFX-FQEVSTJZSA-N 487.446 2.866 30 10 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C=Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1 1594144206 YGRFDQLGDIOASV-UHFFFAOYSA-N 470.581 2.895 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1594627462 VHWNZKMZWGYXND-LJQANCHMSA-N 477.656 2.951 30 10 JFEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1594783826 JQJQWUDFOZAPAF-PXNSSMCTSA-N 459.616 2.921 30 10 JFEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1595026762 RFDPMVFBGFQQNL-XMMPIXPASA-N 477.606 2.767 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1595218395 JFOBQMRJOIHSSJ-MRXNPFEDSA-N 471.505 2.743 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(OC)c2)CC1 1595506534 CPRYWTUDDUYITN-UHFFFAOYSA-N 467.961 2.631 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC2(CCC2)C1 1595506569 FDDFGCQZWMWSKA-UHFFFAOYSA-N 455.559 2.802 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C(N)=O)nc2)C1 1595754562 OMGNZCVTQBLSQX-QUCCMNQESA-N 497.600 2.674 30 10 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COC(=O)[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@H]1c1ccc(Br)cc1 1618706736 ARVGNXOMWAECNA-SLFFLAALSA-N 459.340 2.949 30 10 JFEE C[C@@H](CC(=O)N(Cc1ccccc1)C1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1620567602 FOJVEIIDVVXKTI-SFHVURJKSA-N 454.596 2.627 30 10 JFEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1624339026 DHAKDLFCGXFRHM-SJORKVTESA-N 456.351 2.940 30 10 JFEE C=CCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1627255047 BPJCSTJTAAXVRV-IYBDPMFKSA-N 456.008 2.518 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)s1 1628931198 AEPNELWASFMQFF-OAHLLOKOSA-N 457.618 2.613 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nncn1Cc1ccccc1 1634086488 FPMZAUPRLLRNPT-SFHVURJKSA-N 452.540 2.562 30 10 JFEE CCC1(CC)[C@@H](OC)C[C@H]1N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1653628288 FVSTVOVYGBWPGJ-UXHICEINSA-N 455.559 2.980 30 10 JFEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c1 1654457287 DRUCXWGCNAVLQF-UHFFFAOYSA-N 450.307 2.968 30 10 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481.626 2.999 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1358919155 UBJKPJWLENSTPH-UHFFFAOYSA-N 450.374 2.858 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1358956396 FGMXHJOTUWQKNH-NFAHFFEMSA-N 452.378 2.629 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1358960081 WOWUTKJDVZIQQH-OAHLLOKOSA-N 465.373 2.529 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC1CCN(C(C)=O)CC1 1358981963 FCWDNRBWIZOPCY-UHFFFAOYSA-N 484.398 2.951 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(COC)CCCC2)CC1 1359030600 ZEYSCHPGPAKYPM-VWLOTQADSA-N 459.635 2.671 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NC(C)C)CC1 1359042029 PBIGTJHVZDSZFX-UHFFFAOYSA-N 482.654 2.766 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(SC)c2)CC1 1359043075 GFFMFEYMLQQBTF-UHFFFAOYSA-N 471.590 2.948 30 10 JFEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C(N)=O)C1 1359052131 VGSHUTIDRGGSHK-KRWDZBQOSA-N 451.552 2.795 30 10 JFEE 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CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3cc(F)cc(C#N)c3)CC2=O)cc1 1438459883 CJXWXMYEBHZFMO-MRXNPFEDSA-N 458.515 2.719 30 10 JFEE C[C@H]1CCCN(Cc2ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)cc2)C1 1441348982 BFAZVCAPZNDUKR-RBUKOAKNSA-N 454.596 2.773 30 10 JFEE CC1CCN(C(=O)c2ccccc2NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1442012029 GQSLPKJAEAWVGC-QGZVFWFLSA-N 454.552 2.736 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1446756454 JHPXWFIZRIOPFG-HXUWFJFHSA-N 458.584 2.904 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(Nc4cc(OCC)ncn4)CC3)n[nH]2)c1C 1466712594 ZZSCLDNKDQZUBR-UHFFFAOYSA-N 450.547 2.981 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)cc1 1468514635 HXIWNWAOQDTVHH-UHFFFAOYSA-N 451.504 2.930 30 10 JFEE C#CCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1474976259 VHSMYGINNLAWCR-UHFFFAOYSA-N 456.289 2.865 30 10 JFEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCCC1 1504773099 BOUSCEPBJINKPG-UHFFFAOYSA-N 452.559 2.652 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCCC1=O 1507519697 JKBGEOVKGRYNIG-GOSISDBHSA-N 485.658 2.797 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN2CC)c1 1507550422 KQUVIVJJSFLDRC-QHCPKHFHSA-N 457.582 2.804 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)nc2OC)c1 1507552125 LCRQVEUDNNKVDD-HXUWFJFHSA-N 476.537 2.646 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccc(C(=O)NC)c1 1507611761 PFJWPCMDEZVMCT-UHFFFAOYSA-N 466.586 2.870 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507629298 LYKJDJIXYGGELE-KNQAVFIVSA-N 499.040 2.923 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1507692348 WUZFENVGUOMQHI-IBGZPJMESA-N 457.579 2.641 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(OC)c2)CC1 1507718937 XAGSHXCGUBGGRX-UHFFFAOYSA-N 469.387 2.858 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccncc2)CC1 1507736760 STVXIFFRVLZRDI-UHFFFAOYSA-N 496.413 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCc2nnc(C)s2)CC1 1507742330 HFKUDAQNPRJGLX-UHFFFAOYSA-N 477.638 2.936 30 10 JFEE C#CCSCCn1c(N2CCC[C@H](n3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1507757844 CNNJUTIDOJOSIJ-NZQKXSOJSA-N 458.632 2.951 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)C2CC2)CC1 1507789429 WQXKQQPNLXWKFA-UHFFFAOYSA-N 465.421 2.991 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1507800965 QPCNCGCEIPEHKE-JTJHWIPRSA-N 488.633 2.904 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507839387 DISKGPZFDMKMQW-UHFFFAOYSA-N 452.603 2.672 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1507911612 NFCRDAOKUURXDD-UHFFFAOYSA-N 463.590 2.970 30 10 JFEE C=CCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1508071250 WUUJJDGOWFKNNF-NZQKXSOJSA-N 466.630 2.984 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1508154963 GURKLKLHESHXSQ-KRWDZBQOSA-N 453.616 2.642 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1509296736 DBMUCQKMCNUVDZ-MZNJEOGPSA-N 465.558 2.900 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)c1C 1510398876 IAZVQGVZISGXFA-PMACEKPBSA-N 456.616 2.813 30 10 JFEE C[C@@H]1CCCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1512156408 BVLHTBRTUNJQDP-IFMALSPDSA-N 499.685 2.847 30 10 JFEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1517095406 DZAPVYIEGUSFFX-UHFFFAOYSA-N 452.481 2.838 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2CCS(=O)(=O)CC2)c1 1539042235 CZVMAXZVDKFYCJ-UHFFFAOYSA-N 469.611 2.817 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC(C)(C)C2)c1 1539043696 TUPJVEIDKHHNRR-LJQANCHMSA-N 469.611 2.673 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1539053254 NWCBTOIMXANJGA-FQEVSTJZSA-N 458.632 2.635 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1539202342 GXJPBVDLJDPHPF-LJQANCHMSA-N 471.627 2.967 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539212539 QDBIAPXCSYBUII-QGZVFWFLSA-N 450.511 2.626 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCO[C@@H]1C 1539306839 LDTSPLXHCBPLHT-OPAMFIHVSA-N 473.371 2.719 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC2(C1)OCCO2 1539350127 BHOQJDSPGCUVHN-KRWDZBQOSA-N 456.543 2.974 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCOCC(F)F)CC1 1539434542 MLGKFOKUGINXQC-UHFFFAOYSA-N 484.345 2.753 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1539579890 DIFLKSAHNCBVOV-QGZVFWFLSA-N 498.447 2.965 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1539722154 METBEMHHKOADOX-UHFFFAOYSA-N 468.602 2.580 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2cccc(Br)c2C1 1540005460 LNEPGHURCVIEFX-SFHVURJKSA-N 496.431 2.860 30 10 JFEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)cc1 1540068689 WWONMKKXRVFXFE-SFHVURJKSA-N 459.547 2.696 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1540864998 RFLMZNYCLIJRJR-IBGZPJMESA-N 455.559 2.517 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1540897656 OPOKTIPRQJHBJN-TZIWHRDSSA-N 489.642 2.741 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540900121 LMTPHCINBGCAFO-UWJYYQICSA-N 455.584 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1540904172 JQLHJMVAFKWCBK-OAQYLSRUSA-N 467.595 2.831 30 10 JFEE C[C@@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)C[C@@H](C)O1 1544533442 FYOKRVWWGXLRPE-RTBURBONSA-N 452.603 2.913 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1545760306 AHCAJMIXBOMINK-DNQXCXABSA-N 465.646 2.822 30 10 JFEE COCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555296749 CLQNIRIKBPZBNB-CQSZACIVSA-N 482.404 2.941 30 10 JFEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1 1559380932 XYVXPUJATFDKCE-KRWDZBQOSA-N 459.572 2.824 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 1561145273 BZHFPPHTMBYTHF-UHFFFAOYSA-N 452.286 2.598 30 10 JFEE CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 1567312386 BYCYJFMPARZQNQ-AZUAARDMSA-N 454.596 2.627 30 10 JFEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568504732 GFPFYECIIWHBLR-WOJBJXKFSA-N 452.555 2.813 30 10 JFEE C#CC[C@@H](COC)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1586386036 LGCQVQWBHIVGNL-SFHVURJKSA-N 450.944 2.595 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCC2)c1 1587697002 HAUQLUHXOMTJME-UHFFFAOYSA-N 474.613 2.680 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 1587697494 QZLUHFUPMKCAIY-UHFFFAOYSA-N 482.585 2.738 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1588040945 SNLHRDGATNTPDX-SFHVURJKSA-N 450.992 2.776 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1588053058 ANVNYUYQYOKIDG-PKOBYXMFSA-N 480.537 2.796 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCCNS(C)(=O)=O 1589251330 MHWUARUJYWLGAI-OAQYLSRUSA-N 463.629 2.510 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1589506436 WHRXXJWWUBWLNC-SVMVAKDDSA-N 499.612 2.915 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2ccnn2)CC1 1593711954 NASWEVIBSSSCCL-UHFFFAOYSA-N 452.519 2.954 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)CC1 1593735823 RPZVEYFVFZBAJY-UHFFFAOYSA-N 475.663 2.609 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1594963643 WBWORJGEUPLFTG-KRWDZBQOSA-N 462.595 2.515 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F)C1CC1 1595054636 NYFQWYKCEOYURU-HXUWFJFHSA-N 477.606 2.883 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1595838428 RXCMGTJORSLHKJ-RTBURBONSA-N 466.991 2.962 30 10 JFEE Cc1c(Br)c(C)n(NC(=O)c2cc3c(nc2O)CC(C)(C)CC3=O)c(=O)c1C#N 1611230814 IEUQASUJPSJXDB-UHFFFAOYSA-N 459.300 2.739 30 10 JFEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1626694430 AQISEOQSRFASIV-KFKAGJAMSA-N 456.543 2.536 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 1635157867 KJRJNQJJAVHYDD-OAQYLSRUSA-N 454.571 2.692 30 10 JFEE C#CCOCCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1649058057 XBZSKJUTWNZDDR-UHFFFAOYSA-N 451.342 2.972 30 10 JFEE CCOC(=O)c1c(NC(=O)NCc2ccc(N3CCCCC3)nc2)c(C#N)cn1CCOC 1649403252 CRVOVLSYRUZLTQ-UHFFFAOYSA-N 454.531 2.890 30 10 JFEE CCOC(=O)c1c(NC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)c(C#N)cn1CC 1672918305 DBGZAFNDYNFXLV-ZWKOTPCHSA-N 454.483 2.682 30 10 JFEE C#CCOc1ccccc1CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1679244421 QNDUQLLMEAFLJI-UHFFFAOYSA-N 456.442 2.870 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1689824195 JVBQVITXUYYDIT-SIKLNZKXSA-N 450.587 2.818 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1689855101 OMDMDOHSOSNRCA-FMGIXGHUSA-N 455.578 2.736 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1689875601 WYEGGMYXHSKPEZ-UHFFFAOYSA-N 486.642 2.811 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)n1 1690109492 TWKZQLRAWCIZFE-UHFFFAOYSA-N 457.538 2.646 30 10 JFEE C#CCSCCn1c(N2CCn3cc(C(F)(F)F)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690185712 FBYBXAXFWXFDDW-HXUWFJFHSA-N 484.548 2.921 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690223400 OXEHZCUIJAOEJX-CZUORRHYSA-N 462.348 2.586 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1 1690288051 FPXOIUIMCQNDCB-IBGZPJMESA-N 472.594 2.671 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1)c1ccccc1 1690442702 YXFJZRJOFLVNIW-PZJWPPBQSA-N 472.659 2.923 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1690523535 DVRDUTYYNZKAIS-UHFFFAOYSA-N 451.575 2.580 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1690609511 QYPVNRPXFDMFAY-KNQAVFIVSA-N 495.671 2.725 30 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2.820 30 10 JFEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NC(C)C 1286957767 CXURXKUWGPLHGX-UHFFFAOYSA-N 465.583 2.546 30 10 JFEE CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1291931551 AYHMCPFPVSDZMF-IERDGZPVSA-N 498.625 2.706 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 1295737526 AHHMBELZTDQKEX-HZPDHXFCSA-N 452.349 2.741 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC2CCOCC2)c1 1298964190 IBFKGDHXSPTBRE-SFHVURJKSA-N 489.580 2.636 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCC[C@H]2C)c1 1300334576 QTUQBUSFOKKYLQ-BCHFMIIMSA-N 458.566 2.871 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1300504787 SFWXOURRQKZPCI-XZOQPEGZSA-N 499.681 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(CC(F)(F)F)C1 1300522512 GUOAKZYPPDBQAI-QGZVFWFLSA-N 459.472 2.673 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1300580819 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453.506 2.568 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1588446105 YHBNNZSNDIVQDF-OAQYLSRUSA-N 478.622 2.630 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCCC1 1588696084 KTPDTMHHQMDFQN-FQEVSTJZSA-N 460.623 2.922 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNc2nccc(C(F)(F)F)n2)CC1 1588801190 YOGUWZWPJJTAIB-UHFFFAOYSA-N 486.502 2.630 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](S(C)(=O)=O)C1 1588993142 DNKYOJBIUXIJMA-HNNXBMFYSA-N 499.456 2.706 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)CNC(=O)C2 1588994124 QKKAQDPJLLVEKB-UHFFFAOYSA-N 463.405 2.509 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1589494183 KPBFTGOXIYITAP-VQIMIIECSA-N 477.407 2.696 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1593763482 LVWVMYLDOMGOLM-GOSISDBHSA-N 460.966 2.659 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1594455801 WEFIACCDMXVIFJ-MUGJNUQGSA-N 464.680 2.801 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595772657 GCWIKZFQTJHNAR-UHFFFAOYSA-N 484.969 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 1595831063 JWSSWTQKWBFVQI-RTBURBONSA-N 464.636 2.558 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1611307229 AASNWIQHAJCASL-RARDXLECSA-N 476.578 2.607 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)c1 1611998921 DSJSIEJSFXQBAF-QFIPXVFZSA-N 461.563 2.741 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)nc2)CC1 1613441034 BBVWSTPGLDRTBB-LJQANCHMSA-N 472.597 2.605 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1617868500 CUUYJFYZRNCAJS-NHCUHLMSSA-N 470.643 2.809 30 10 JFEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)CCO1 1619753338 BLZWIEJZQLNGNB-OFNKIYASSA-N 468.602 2.701 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1 1621956117 IHTCTQPDNNWWJM-QFIPXVFZSA-N 451.589 2.918 30 10 JFEE C=CC1(CC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 1623595415 JXSRURSIELDVTJ-NRFANRHFSA-N 459.587 2.998 30 10 JFEE COc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)N2CCOCC2)cc1OC 1623895066 FQNNLIOEURHRJB-OAQYLSRUSA-N 453.514 2.936 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)cc1 1636906205 YVPWTGAAXYXZQF-KRWDZBQOSA-N 451.317 2.917 30 10 JFEE C#CC[C@H]1CCN(C(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)C1 1646576254 NAVCUIZYGIMUBY-AWEZNQCLSA-N 452.349 2.621 30 10 JFEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC1CCOCC1 1649562388 DARFPLNGEMZQRN-HXUWFJFHSA-N 468.602 2.702 30 10 JFEE C=CCn1c(SC[C@H]2CCCN(S(C)(=O)=O)C2)nnc1[C@H]1COc2ccccc2O1 1652469109 BMAABCYZLRKEPN-MAUKXSAKSA-N 450.586 2.740 30 10 JFEE COCCN(CCC#N)S(=O)(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 1655464142 GDCRZAVWOXYIHL-UHFFFAOYSA-N 452.577 2.571 30 10 JFEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)ccc1OC 1672258085 AVUAPEVMBOVVIH-ZDUSSCGKSA-N 450.542 2.625 30 10 JFEE C#CCN(C)CCCNC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 1681598058 MZYKHEYVCSPQGK-UHFFFAOYSA-N 450.381 2.700 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2cccnc2OC)c1 1689870390 MGKREICBWLUQRU-UHFFFAOYSA-N 453.506 2.848 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)C(=O)OC(C)(C)C 1689948675 BTXOBYOPGFUEPI-UHFFFAOYSA-N 489.646 2.873 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1689961204 ORRCVARBMGEIIL-WOJBJXKFSA-N 477.613 2.634 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1689981840 CFGPLZXACNXHJN-ZDUSSCGKSA-N 455.403 2.972 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1689990953 TWJNJWSCEZYIGA-IRXDYDNUSA-N 479.002 2.509 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1690013228 GJTKPHZOCOHMAG-QFIPXVFZSA-N 457.582 2.649 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCC1(F)F 1690097704 NCPYEEAWWXBUHI-SFHVURJKSA-N 456.501 2.832 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1690128577 GTAVVSMZQPFAJH-FGZHOGPDSA-N 450.631 2.753 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1690132104 HNMHLHUFWGXFSN-UHFFFAOYSA-N 493.700 2.503 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690178546 BLMKFDDDFRAWMM-QGZVFWFLSA-N 464.624 2.674 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690257787 UOVMVGSAUDWVJD-AWEZNQCLSA-N 471.425 2.720 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1690312927 HDLDADCQPHJFCG-JEUIMVHRSA-N 480.656 2.708 30 10 JFEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1690677355 VIDMKCIDNKQUGS-UHFFFAOYSA-N 464.614 2.745 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690733269 ABJLKVFEHQAEGZ-UHFFFAOYSA-N 460.604 2.508 30 10 JFEE Cc1ccc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCC(=O)NC(C)C)o1 1693099435 CEZIYDYKMZECNS-UHFFFAOYSA-N 461.570 2.955 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1693947026 HGUOEWLQECCBHB-NXQMDHLFSA-N 466.586 2.647 30 10 JFEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)OC 1694262925 HQGLPAAWMAFTHZ-OAQYLSRUSA-N 466.586 2.850 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)C[C@@H](C)C#N)CC1 1695897357 HWOSHMPDFNRUDX-VQTJNVASSA-N 467.618 2.586 30 10 JFEE CN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1696717546 GPJXTXCXLOTHGH-UHFFFAOYSA-N 483.579 2.622 30 10 JFEE N#Cc1ccc(-c2nnc(N3CC[C@H](N4CCCCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1698487322 HBGMQWGGFFQBMQ-SFHVURJKSA-N 461.492 2.560 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2([S@@](C)=O)CCC2)c1 1705506739 HELZHHBFRAOVJG-UUWRZZSWSA-N 476.606 2.621 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1705603099 NMYCRGPONDHMRJ-QGZVFWFLSA-N 455.563 2.934 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2ccccc2)CC1 1705649649 BWQUWRSWYSGMFI-VWLOTQADSA-N 463.607 2.804 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCCC2)CC1 1705651137 LMNQQJPBBUPQBF-UHFFFAOYSA-N 478.641 2.926 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705652320 VMHIHWVDWGLDRH-OAHLLOKOSA-N 499.609 2.581 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@@H]1OC 1705877301 BGSNXVRNBYFWMQ-YADHBBJMSA-N 453.587 2.801 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(F)(F)F)c2)C1 1705922900 VIDZBQPDLXTBFM-QZTJIDSGSA-N 465.476 3.000 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705945216 FGVJOLMHQSIVOL-QGZVFWFLSA-N 499.703 2.935 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1705946322 FJSBFWPQWFWMJS-IBGZPJMESA-N 492.667 2.722 30 10 JFEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1712143410 BIVBMTDYVMGDSH-WBVHZDCISA-N 480.491 2.516 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCCN2CCCCCC2=O)cc1 1712880333 FNOKYWFFMFCUMI-UHFFFAOYSA-N 466.586 2.730 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCCC1 1722281943 PDTJLSMRBBUYIW-GOSISDBHSA-N 457.600 2.599 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCN1CCOC(C)(C)C1 1722328350 TWWHPTUTJJGEQU-UHFFFAOYSA-N 487.674 2.507 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722332457 LJLQHQIMRWRRST-AQNXPRMDSA-N 458.607 2.673 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccc1OC 1722354623 HSMWEBLMWLILFN-IBGZPJMESA-N 455.559 2.907 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1722372485 XTABKJCFFSTGKF-OAQYLSRUSA-N 488.658 2.506 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCNC(=O)C(C)C)CC1 1722444180 GKWKGDGGPPXGQU-OAQYLSRUSA-N 494.640 2.773 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(C)CCCS2)CC1 1722448512 DBUBNBRUMZPWQH-JOCHJYFZSA-N 458.657 2.885 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1722459345 IHXAEXVXPYCTEC-QGZVFWFLSA-N 475.565 2.779 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1722460570 YNKQWPHWECKMOK-NRFANRHFSA-N 453.612 2.809 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722526073 NNJJUXVENYRFDW-OALUTQOASA-N 497.662 2.956 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722581994 FTKIEDRUYGJCIY-SFHVURJKSA-N 480.679 2.720 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722618848 VYRDNCOEKJPJKH-YADHBBJMSA-N 494.706 2.670 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](CC)C1 1722693284 JENWBFBXFBFPEN-CQSZACIVSA-N 464.364 2.634 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722694112 LSSKDYJOWQPBCH-PONJGIIJSA-N 490.402 2.783 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1722697469 LGTXKPLCAHDMLP-UHFFFAOYSA-N 494.987 2.854 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722700289 DLIUIXHXRDTDKN-UHFFFAOYSA-N 485.951 2.801 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SCC)c2)C1 1722718243 HQVXPDTUWFETCJ-ROUUACIJSA-N 463.629 2.517 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722725438 ONYQRRZZIYYTDZ-HOTGVXAUSA-N 498.074 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722725974 VSJYIQQMVHHING-QGZVFWFLSA-N 480.034 2.942 30 10 JFEE C=CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722740648 YBTHQVWZOKEZGH-KSZLIROESA-N 476.647 2.779 30 10 JFEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1723875790 CUUNBIGVWMLWDW-NRFANRHFSA-N 451.619 2.706 30 10 JFEE C[C@H]1C[C@@H](C)CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1726464740 DUACLBNQKGDBCD-BGYRXZFFSA-N 479.629 2.798 30 10 JFEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 1729320093 ANSKSGHESOAGQR-MZKRTTBSSA-N 462.664 2.821 30 10 JFEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)C1CC1 1729896635 GWLFIDGYEMCDIT-GCJKJVERSA-N 466.586 2.847 30 10 JFEE COC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 1729939788 BFLOVGGTQUBIQC-IBGZPJMESA-N 472.977 2.940 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(C)c2)c1 1740564396 LOQDRYYDZZLHCO-LJQANCHMSA-N 483.619 2.655 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740620797 RNTVVOIFMQUNGW-KRWDZBQOSA-N 489.951 2.719 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(S(C)(=O)=O)CCC1 1740630745 LNXPMEDWUWSGEW-UHFFFAOYSA-N 491.411 2.756 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740674164 WRDWWNLFPNNPQS-IBGZPJMESA-N 482.610 2.704 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCC2)CC1 1740695675 ASFFRMKSWMQYQW-NHCUHLMSSA-N 470.618 2.698 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ncccc2C)CC1 1740696028 KKVFJNXCZXJZAE-UHFFFAOYSA-N 479.629 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1740701550 LFIFCUJPDZQNPN-RTBURBONSA-N 481.597 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1740701844 QMMXVMCFUJRXCY-SFTDATJTSA-N 473.625 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCn2cc(Br)cn2)CC1 1740702785 XNICZLMCHDZFTH-INIZCTEOSA-N 476.423 2.807 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC#C)CC1 1740713589 NIUMXYJFKXEIHX-UHFFFAOYSA-N 474.428 2.838 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740778588 MCXHGSFNRAXYDW-SFHVURJKSA-N 456.591 2.575 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740783234 YOHCKFYBJCPJHP-XXBNENTESA-N 454.594 2.963 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740790181 VQDKIJFGLDEPHM-GOSISDBHSA-N 478.391 2.560 30 10 JFEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740819260 KEISAMGRYBGNJU-INIZCTEOSA-N 477.407 2.697 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1740908109 LBMHYTVWLXLOLK-UHFFFAOYSA-N 473.643 2.739 30 10 JFEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740948906 QWCFMLAYDOIDTO-QHCPKHFHSA-N 468.646 2.837 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1740952364 BFRSGBRGRKYYBS-KRWDZBQOSA-N 473.549 2.981 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CC=CCC1 1740993297 WNKVNLADISZJBW-IBGZPJMESA-N 454.600 2.910 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@]1(OCC)CCOC1 1740993583 FLZCFGQOPQRITH-GOTSBHOMSA-N 464.632 2.858 30 10 JFEE CC(C)C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N)N(C)C 1741419599 DVJUKSJAABWZEA-ZWKOTPCHSA-N 460.652 2.953 30 10 JFEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)C1CC1 1746317089 DXLLRSZEGBGKCX-UHFFFAOYSA-N 485.658 2.551 30 10 JFEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(C)(C)CN2CCOCC2)cn1 1746353505 FKQLRNZPWCLUKU-UHFFFAOYSA-N 462.602 2.876 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 1746433440 CQWMMTCNRWXWCW-NRFANRHFSA-N 492.672 2.537 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCOCC1(C)C 1748777018 VTMKHQKZRJNICQ-UHFFFAOYSA-N 462.392 2.896 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1748803568 XFPFFOKFPUHQAD-KDURUIRLSA-N 484.576 2.996 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCCC1=O 1748856204 UKKHFXFVYPTMSZ-UHFFFAOYSA-N 486.601 2.513 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1748875162 LKJZKOOIXNJPOY-QFIPXVFZSA-N 489.668 2.884 30 10 JFEE COc1ccccc1C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCC1 1748973183 BFSNDMMBKACTED-IRXDYDNUSA-N 460.604 2.615 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)CC1 1748979514 CPXKDHBEJVHBDN-UHFFFAOYSA-N 450.631 2.720 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1749056116 ACNARCHXMSBLBM-LJQANCHMSA-N 466.405 2.853 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1749285397 IQAQJWWFMWTQLT-QFIPXVFZSA-N 452.603 2.578 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1749330418 CBHVUZGMDKBWLA-UHFFFAOYSA-N 498.628 2.537 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749401157 VTDPWMQSSAIXDI-MOPGFXCFSA-N 474.606 2.754 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749401160 VTDPWMQSSAIXDI-RTBURBONSA-N 474.606 2.754 30 10 JFEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749402341 MERAEVFGXYIQEM-JOCHJYFZSA-N 468.602 2.794 30 10 JFEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1749499439 WPUCPGAWUZENAS-DEOSSOPVSA-N 457.644 2.902 30 10 JFEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749609239 ITUSCEFFXYWGJJ-UHFFFAOYSA-N 461.473 2.584 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3ccccc3CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681680 FUUCQGNNELKCKK-OYRHEFFESA-N 480.613 2.956 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760148624 HABSEUOYECDUNJ-PZJWPPBQSA-N 453.587 2.923 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1760184814 MDRBFFVIPWSJGA-JOCHJYFZSA-N 481.622 2.885 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760191949 CEZAVKSTIAXFCC-RBUKOAKNSA-N 476.574 2.582 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCn2ccnc2C)CC1 1760264020 YXVZDWNNMBXDFB-SZPZYZBQSA-N 496.660 2.789 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1760267877 DJVIVABLFCTRKZ-LJQANCHMSA-N 474.565 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1760271533 BABGNGPDTBLHHX-QPPBQGQZSA-N 464.614 2.681 30 10 JFEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1760362080 AIPZRNUNQNJMJZ-IRXDYDNUSA-N 486.564 2.675 30 10 JFEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760372578 OJYPDBTUCIUZSW-HXUWFJFHSA-N 491.017 2.913 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760415364 WOWMJHVUSFOPJM-UHFFFAOYSA-N 466.586 2.671 30 10 JFEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1760421600 UZYUELPDZRRHOG-UHFFFAOYSA-N 450.591 2.743 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1760530999 ZKPZTBQJUBRHSU-CUWPLCDZSA-N 475.977 2.536 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1760558879 DFRPXHCTLFVJGL-GBESFXJTSA-N 495.646 2.566 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cc(Cl)cn2)C1 1761545400 COATVVORKWJDBS-HXUWFJFHSA-N 458.979 2.950 30 10 JFEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 1763660012 BEAOEXJFDDHEIA-XUZZJYLKSA-N 492.672 2.728 30 10 JFEE CCCC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 1765423809 BJEUGSUOEYLSCP-NHCUHLMSSA-N 466.586 2.898 30 10 JFEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1769012184 FLZOBIUATIYSOS-UHFFFAOYSA-N 487.486 2.865 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nncn1C 1771100039 DZCVBBLCIYUQJG-IFMALSPDSA-N 478.601 2.898 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1772555043 USOHUMXGNMSNRY-DLBZAZTESA-N 450.381 2.988 30 10 JFEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccn12 1858243297 WCSDUTABLIZJNH-UHFFFAOYSA-N 468.473 2.649 30 10 JFEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2cccc3ccccc23)C1=O 1863583222 QSELETXKUXHOBU-UHFFFAOYSA-N 461.543 2.585 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(-c1ccccc1)nn2C 1864320868 BSTOHBCYVONTNT-NRFANRHFSA-N 487.560 2.599 30 10 JFEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCCCCC)cc1 1865728303 COZMGKLMWKHVPM-FQEVSTJZSA-N 494.592 2.548 30 10 JFEE CC(C)C[C@H](C(=O)Nc1c(C#N)nnn1Cc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 1870107755 XENSUXACQYZUQM-HXUWFJFHSA-N 460.469 2.987 30 10 JFEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NCCCOCC)ncnc21 1873605185 NXKVKKZBYKOUGD-UHFFFAOYSA-N 462.510 2.934 30 10 JFEE CCOc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 1874198891 AIURZJTYESRFBE-ROCQKPIASA-N 494.577 2.666 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(OC)c(O)c1 1874211171 MYMGCTXMVWLOHK-LLXCYVELSA-N 495.561 2.656 30 10 JFEE Cc1cnc(N(C)[C@@H]2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)C2)nc1 1890454825 RLUWOJCJDJQLSQ-PUHATCMVSA-N 478.622 2.788 30 10 JFEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCC#CCN3CCc4ccccc4C3)n2)cc1 1891141310 AUMMYVPRVUTNAG-HXUWFJFHSA-N 456.546 2.658 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2133571124 LJWNPEIDCXHJLQ-KRWDZBQOSA-N 468.595 2.842 30 10 JFEE C=C[C@@]1(CO)COCCN1C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2135108791 QXUSNGRLOPVVFM-LOSJGSFVSA-N 460.571 2.606 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)Nc1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2180991063 JGFZYFNAFUFJMC-XIRDDKMYSA-N 458.368 2.750 30 10 JFEE C=CC1(NC(=O)[C@H](Cc2ccc(O)c(O)c2)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 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C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705896500 OOQCCTAPKZIHFG-UHFFFAOYSA-N 489.418 2.705 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccccn1 1705928319 OSOVCZRYDJEVGK-UHFFFAOYSA-N 468.583 2.779 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(Br)ccc2C1 1705931843 CHABPJUCTIATMF-UHFFFAOYSA-N 491.415 2.605 30 10 JFEE CC(C)SCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1706714841 BDKKXTKWUCWZED-IBGZPJMESA-N 474.656 2.520 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1706934602 CMJSNJNDKCKGHD-YWZLYKJASA-N 463.464 2.744 30 10 JFEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ccc(C)n(C)c1=O 1709138531 HZSMEZIXEPBLFI-UHFFFAOYSA-N 451.962 2.748 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC)CC1 1710336210 GNFSNEZIWFSRHK-UHFFFAOYSA-N 460.542 2.510 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1712878130 GJNNASITOHQDSD-MRXNPFEDSA-N 456.419 2.925 30 10 JFEE 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2.942 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1722447947 RHAQYVXRRXVSON-JOCHJYFZSA-N 492.668 2.711 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722464287 AMFBNCLYEXGWNI-JXFKEZNVSA-N 493.033 2.860 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722521205 DFMNANBEYFNAKF-GOSISDBHSA-N 456.591 2.575 30 10 JFEE C=C(C)Cn1c(N2CCN(C(=O)c3c(F)cccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1722553111 CYBAHYSDBOONRS-HSZRJFAPSA-N 461.513 2.747 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)CC1 1722574951 UJJNSHRNVKTRSD-QGZVFWFLSA-N 463.579 2.995 30 10 JFEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1722596461 JMEKXNQIYQQZLU-XMMPIXPASA-N 480.657 2.817 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722605023 RQUKSFZBCFRLPZ-QZTJIDSGSA-N 485.651 2.812 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1722707052 FFIJXJBNGRUYOK-UHFFFAOYSA-N 466.542 2.580 30 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467.570 2.581 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740625875 SWKISVORGFMUIN-MOPGFXCFSA-N 489.692 2.922 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740626771 CKNGXZODWWFOEI-WOJBJXKFSA-N 464.632 2.743 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC(C)C 1740656150 NLKSYVGDDOMSJF-UHFFFAOYSA-N 470.618 2.770 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccn(Cc2ccccc2)n1 1740658251 IQBRHSLFDUTZJI-UHFFFAOYSA-N 452.566 2.896 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1740659702 QUGWMSBTBVZYMO-GOTSBHOMSA-N 497.688 2.839 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc2c(cc1OC(F)F)OCO2 1740673744 FNSWLGVNNONVIC-UHFFFAOYSA-N 458.469 2.978 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCCO[C@@H](C)C2)CC1 1740707093 OIQYDSUBJPKPND-QHCPKHFHSA-N 492.668 2.644 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740707326 YHJBVYGKCQIVTH-QFIPXVFZSA-N 492.668 2.964 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1740733924 SWOFBABVQSVERC-GBXCKJPGSA-N 456.612 2.889 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2OC)CC1 1740786865 RBGBETRYQREQDK-UHFFFAOYSA-N 477.569 2.853 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1740920792 GMIQVZMMIRNUGH-IBGZPJMESA-N 489.617 2.818 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C[C@H]1CCOC1)C1CC1 1740988693 MZFQOYYQWNKCGZ-OAHLLOKOSA-N 451.980 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C)CC1 1740990567 CCQGVPLTGPEJNM-MRXNPFEDSA-N 456.572 2.821 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(F)F)CC1 1741003604 YESDUALROAFNRM-UHFFFAOYSA-N 478.617 2.758 30 10 JFEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1742935171 FBOYCLZXVNOUAZ-WOIUINJBSA-N 470.643 2.808 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCN(CC)CC1 1748647509 OTJDERUSIFSXDU-QGZVFWFLSA-N 462.440 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C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1760189533 JKJMURZYZPTAFE-OAQYLSRUSA-N 470.620 2.752 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN(C)CC(F)(F)F 1760196938 UJGHZKHGVRPYMN-UHFFFAOYSA-N 495.575 2.504 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1760214493 QWOKAUUOGUOKRN-XDOYNYLZSA-N 493.365 2.697 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCC[C@H]1CC 1760215147 QBASKVSLWOUJSG-JOCHJYFZSA-N 457.586 2.648 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1 1760298681 RBJRVWLLXPKVMS-AREMUKBSSA-N 461.614 2.748 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760306423 GMIUTCVEGQLXGE-JKSUJKDBSA-N 497.438 2.968 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(COC)CC1 1760310461 GFAUKSVFCDFCDW-UHFFFAOYSA-N 452.378 2.961 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760347739 STEUDWMDSFBAGB-UHFFFAOYSA-N 482.614 2.669 30 10 JFEE 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455.456 2.661 30 10 JFEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 1084343829 SMSZNPXFXCIJSX-UHFFFAOYSA-N 468.326 2.887 30 10 JFEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)c1O 1084424954 DDDMGULYEFXUIZ-UHFFFAOYSA-N 492.359 2.645 30 10 JFEE COc1ccc(C=Nn2cnn3c(SCC(=O)Nc4nnc(C(C)C)s4)nnc23)cc1OC 1084534729 FVIIWNCNKUYDPD-UHFFFAOYSA-N 487.571 2.531 30 10 JFEE CC(C)CN(C(=O)CN(C)[C@@H](C)c1cccc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 1195366844 DZKUHXAGDFRNFY-KRWDZBQOSA-N 454.575 2.741 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1286341351 DIJMEXAZHDKLNV-AEFFLSMTSA-N 461.563 2.540 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286391776 DRBRFQFCBJYUPZ-DHIUTWEWSA-N 487.645 2.899 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1286392425 GXNLPIWFACAXCT-INIZCTEOSA-N 468.595 2.917 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1286394112 UQSHVMHGNKNHGT-QHCPKHFHSA-N 463.607 2.696 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1286395764 UQBYZIRCNIBBPP-SFTDATJTSA-N 473.618 2.509 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286396637 WJUOIEUXCMGCNX-PKTZIBPZSA-N 469.655 2.678 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286398999 WDBZYUWHCJQVJZ-WAOWUJCRSA-N 476.574 2.753 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC(C)CC1 1286464222 XAHYLSQPMQJQSC-UHFFFAOYSA-N 453.587 2.924 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286541754 CZHKYMVNHPVJDR-UHFFFAOYSA-N 482.390 2.642 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286550518 DLESIAKWCNDWBI-NRSPTQNISA-N 459.978 2.921 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CCNC(C)=O)Cc1ccsc1 1286561250 MLRGVJFTZVBQIC-TZIWHRDSSA-N 467.599 2.921 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286587354 HNERGBNFSDPDRI-UHFFFAOYSA-N 475.391 2.858 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1286629950 OOXDSQJOXUSDGZ-WBVHZDCISA-N 455.968 2.606 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC[C@H](C(=O)OC)C3)nnc2[C@]2(OCC)CCOC2)cc1 1286796397 KDUSLFGIUHLPCX-CYFREDJKSA-N 456.543 2.543 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCOCC2)C1 1286805801 URRHHJKGQPQCDG-GOSISDBHSA-N 450.486 2.869 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2COCCO2)C1 1286808431 BTJCWUDVTVMXOD-WOJBJXKFSA-N 477.606 2.589 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1295161539 GHOUVVAYILUMMN-MRXNPFEDSA-N 473.509 2.606 30 10 JFEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 1298349939 RAMLTHFAMGPWEZ-OALUTQOASA-N 450.919 2.503 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(OCCO)c(OC)c1 1300276305 KMVISSRVPDMOFX-AWEZNQCLSA-N 474.359 2.922 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300488432 RNZHJMZYFHKRLI-CQSZACIVSA-N 453.337 2.620 30 10 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2.699 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1300731123 CKAXRFPXRDKLFF-UHFFFAOYSA-N 471.612 2.617 30 10 JFEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300741170 ONXKXUADEUVVJP-ICSRJNTNSA-N 461.657 2.657 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1300768706 WJFAEPFBWLQHMP-SFHVURJKSA-N 476.647 2.603 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301018506 DVFPSDAWVQCEIM-UHFFFAOYSA-N 477.816 2.648 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1301032876 BCBAXVCSKQFHEQ-QFIPXVFZSA-N 455.950 2.690 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1301149128 XJENMSZNPLDZCO-FQEVSTJZSA-N 465.602 2.592 30 10 JFEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301252987 ULPOFUDGRLUYCL-KRWDZBQOSA-N 472.590 2.730 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301270090 CFRCQXDSYDYPSH-DOTOQJQBSA-N 497.463 2.873 30 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DHNYTKSPWDIPDS-OXQOHEQNSA-N 483.594 2.989 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1358963845 OVVCVVLZBNAWAT-TZIWHRDSSA-N 469.655 2.945 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC=CO2)CC1 1359035340 RBINVYCKFHOZDD-NRFANRHFSA-N 470.618 2.841 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1359047525 KAJXMWWPCGHFEZ-ZJCBTPCYSA-N 456.635 2.606 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359086202 NVNBAAWIZPMELO-HUUCEWRRSA-N 451.394 2.790 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359132823 GHUYLXZHIPIIBC-QFIPXVFZSA-N 488.654 2.655 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1359216000 NIRSFLFDGRLKMV-OAHLLOKOSA-N 450.561 2.940 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1359272196 NHBACMILAKWQQU-HXUWFJFHSA-N 477.606 2.906 30 10 JFEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359290066 FKADTBHHYUVXHD-FQEVSTJZSA-N 477.656 2.696 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1359328191 WLAIIAPGPUJFNO-KBPBESRZSA-N 488.477 2.977 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1359342566 AKRQMSPESKPNKK-SFHVURJKSA-N 455.694 2.658 30 10 JFEE Cc1cc(C(=O)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CC2)c(C)o1 1360994326 HNOCGBJHWJLZSQ-UHFFFAOYSA-N 475.553 2.514 30 10 JFEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 1468794239 BONVEBUVFLAQCI-UHFFFAOYSA-N 452.458 2.632 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)OC 1475676663 KPIHKRQPJMXKPW-OAQYLSRUSA-N 450.601 2.909 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)CC1 1476156676 SDJYSAKAASPIBF-UHFFFAOYSA-N 453.564 2.795 30 10 JFEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)OC 1494987259 CDWSPHQBVWNLCJ-DSKINZAPSA-N 474.631 2.643 30 10 JFEE 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C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1706746997 HDAYFXTYQVELPI-RDJZCZTQSA-N 476.569 2.583 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCOC[C@@H]2C)cc1C 1707520188 HCJGNKZSKQMABW-NBGIEHNGSA-N 465.602 2.998 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(-n2ccnc2C)nc1 1708728763 GBYUIQTUXJCPPJ-QHCPKHFHSA-N 465.537 2.576 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1CN1CCOCC1 1708728812 HFYWVIDGWHCLFV-RUZDIDTESA-N 483.592 2.519 30 10 JFEE CNC(=O)C(C)(C)Cn1c(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nnc1C(C)(C)C 1711296345 DDGCMUXINZZZKK-UHFFFAOYSA-N 480.573 2.794 30 10 JFEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C[C@H](C)O1 1712282690 AEZRUQJCDDKYGV-QFBILLFUSA-N 466.567 2.548 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCC2)c1 1722310596 XKCVZTBMAUQDNN-NRFANRHFSA-N 478.597 2.631 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722328978 AAMQUYGUXHWHEO-GOSISDBHSA-N 477.569 2.773 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722361186 XMCPWNIPTXKVND-MRXNPFEDSA-N 493.561 2.986 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722369634 CSBVXBJZURILGB-HXUWFJFHSA-N 497.621 2.953 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1CCS(=O)(=O)CC1 1722372604 AMJDIGHDHYDAFE-LJQANCHMSA-N 470.595 2.714 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722421472 QJVNPWNNPBWWCQ-IAGOWNOFSA-N 479.423 2.621 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccc(N2CCOCC2)n1 1722426170 BJXKMUQOEIXWSB-UHFFFAOYSA-N 481.000 2.888 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2CC(OCC)C2)CC1 1722432792 FDEYLEADQUDRSA-UHFFFAOYSA-N 461.408 2.996 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1722433310 QPZHYPJNPZFTHQ-LVXARBLLSA-N 467.614 2.573 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722438945 ILBYEXNBTXVVQD-QFIPXVFZSA-N 464.639 2.997 30 10 JFEE 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30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749652635 QJLUSHXHMUEAKF-UHFFFAOYSA-N 494.353 2.545 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C2CC2)CC1 1750062694 IBWGTSIXCQOOOU-KRWDZBQOSA-N 456.616 2.819 30 10 JFEE CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCS(C)(=O)=O 1750447388 HWPHSIIOEZJDKZ-UHFFFAOYSA-N 458.632 2.594 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2ccccc2F)C1 1751276063 CWUKUCUIJIAAEZ-DEOSSOPVSA-N 495.584 2.969 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1760125842 UVFBALZWVPPCAR-ZCNNSNEGSA-N 460.623 2.776 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760141563 ZCPULJUVBOEZIE-GOSISDBHSA-N 457.600 2.805 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1760179725 XZJBUGUIASSXIJ-IYZJKTGWSA-N 459.635 2.536 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760191391 GOAGMGNGMTXROI-ZWKOTPCHSA-N 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452.298 2.668 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359296690 QTQVLADRHCECFD-AFMDSPMNSA-N 499.612 2.819 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2NC(=O)CC2(C)C)C1 1359313381 LBSXEQGKVQXFDZ-WBVHZDCISA-N 477.407 2.742 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2COCCO2)C1 1359314502 BZWBPQQBVJWEQQ-DLBZAZTESA-N 479.375 2.913 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C1 1359324146 DNXFBHUAFCLAEU-NRFANRHFSA-N 460.600 2.772 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359328665 LBDFJCVWPSNOOP-OALUTQOASA-N 466.991 2.584 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC(F)(F)C1 1360469816 HLZCQJMQOCPUQA-CQSZACIVSA-N 452.531 2.979 30 10 JFEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 1436214997 ZBMJVQBCVZUGPH-XMMPIXPASA-N 453.543 2.845 30 10 JFEE C=CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)C(=O)OCC 1466783440 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473.662 2.925 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705560021 HJWATANYFUKRJI-CVEARBPZSA-N 489.589 2.578 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1705560566 IDKGFFAHIRXSMX-JOCHJYFZSA-N 496.637 2.790 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1705569356 FRGFUERUKACBCP-LJQANCHMSA-N 469.636 2.896 30 10 JFEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705615852 KRDLEOHKPRNPEY-KRWDZBQOSA-N 451.600 2.762 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1705629772 UTPJCPHYZDEMMB-FPOVZHCZSA-N 468.602 2.995 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)[C@H]1CC 1705655113 DIKOGCIIHAQCJC-QGZVFWFLSA-N 478.416 2.797 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705667025 ZVYMSZHWCCBOPO-GOSISDBHSA-N 479.027 2.504 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C(C)C 1705670551 ZFJJRPGOGAURLL-HSZRJFAPSA-N 458.632 2.528 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705699777 LRDYTUHGPVXNLL-OWSLCNJRSA-N 492.564 2.709 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705793066 LHANEDQDTPDAFG-UHFFFAOYSA-N 488.583 2.923 30 10 JFEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705823804 WGPYSOLQIPBFNU-DEOSSOPVSA-N 468.558 2.646 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705897258 JBQVDOSUBBDACF-HKUYNNGSSA-N 470.574 2.614 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CCOC)C1 1705928550 RKMAZIVKJCZCAU-JXQFQVJHSA-N 479.622 2.919 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705932957 PIPHUDUBJTXYMH-LEWJYISDSA-N 490.626 2.957 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705939258 BQIJZOOBGLBOJQ-UHFFFAOYSA-N 457.579 2.673 30 10 JFEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCN(C)C(C)C)C[C@H]2C)CC1 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C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722498648 CEBPITYGOWEYPH-WMZHIEFXSA-N 457.550 2.784 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722520268 AXOWIRYUZHNLOQ-QFIPXVFZSA-N 458.950 2.998 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1722616310 OWIOLYXZUKZGDA-VQTJNVASSA-N 487.605 2.655 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1)C1CC1 1722650822 LSYYZYGIEKKIGE-QFBILLFUSA-N 465.645 2.706 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722694815 JQNVUZIYFXJUSD-SFHVURJKSA-N 498.628 2.643 30 10 JFEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1F 1723816435 HLYYRBFAZHFUTR-NYHFZMIOSA-N 453.453 2.974 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1cccc(C(N)=O)c1 1727195706 CIDRVJHYPAKNMK-UHFFFAOYSA-N 451.575 2.668 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)COC)CC1)S(C)(=O)=O 1728333306 GEXFIDPATGPKHQ-UHFFFAOYSA-N 474.631 2.740 30 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2.633 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301484202 CZUQFXBMHCMVGN-QGZVFWFLSA-N 465.558 2.565 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301535407 KYXQPXIVZHCWJQ-OAQYLSRUSA-N 475.615 2.508 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)CCC)C1 1301555681 YJORAFDKXFEBKJ-HTAPYJJXSA-N 462.620 2.571 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1301587162 RGIMEJJMCJUOBF-UHFFFAOYSA-N 499.681 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C 1301596521 QYTLWIGXLQWJRZ-UHFFFAOYSA-N 477.606 2.668 30 10 JFEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@](C)(O)C(C)C)C[C@@H]2C)CC1 1301707848 GGMVMIZZFZRYJD-VLUSQRCCSA-N 493.656 2.603 30 10 JFEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cn1 1304350895 CSVCGCBLNDICGR-NRFANRHFSA-N 450.568 2.972 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1309448169 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DIHVOWSHQSLPPA-IEBWSBKVSA-N 468.583 2.882 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358960230 ZXRPYAKTESNATB-FQEVSTJZSA-N 499.593 2.712 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCN(C(C)=O)CC1 1358988626 XJDVESFBZLXIPU-UHFFFAOYSA-N 497.441 2.643 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(CCN(C)C)CC1 1358989070 OMEPCMKAACCMDQ-UHFFFAOYSA-N 454.022 2.730 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)C1(OC)CCOCC1 1358997443 SQFUSCNFHPLPCW-UHFFFAOYSA-N 491.564 2.563 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCSCCCO)CC1 1359042140 TYAPEPHZGROUMB-UHFFFAOYSA-N 462.019 2.680 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC)CC1 1359048046 CTBVPPIBVPWDDQ-UHFFFAOYSA-N 491.017 2.506 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359053824 ZGOFIDCARNSZKI-UHFFFAOYSA-N 462.583 2.587 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1359117313 UNJODUDBELDNBX-DLBZAZTESA-N 478.619 2.563 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1359126256 KHEUCTPFXKQDSE-FUHWJXTLSA-N 482.676 2.938 30 10 JFEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359201768 ZBWGKIZTHKZRDQ-UHFFFAOYSA-N 469.615 2.687 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC(NS(C)(=O)=O)CC1 1359225172 PEOKQDJTNIHSND-UHFFFAOYSA-N 498.447 2.818 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)N1CCSCC1 1360471350 GLGUCQRGOMFFIG-CQSZACIVSA-N 487.026 2.855 30 10 JFEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCn2cc(CO)nn2)cc1C 1492367815 CJIJCQYXZMPLAF-DEOSSOPVSA-N 464.574 2.778 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C[C@H]1NC(=O)OC(C)(C)C 1494252314 HITWDFDJMDLJFE-OXQOHEQNSA-N 462.558 2.948 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)N(C)C 1504882934 AQGWIELNYMDMCY-UHFFFAOYSA-N 467.343 2.691 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1507532363 HAFYACZAFGVCIJ-LJQANCHMSA-N 477.613 2.805 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1507579088 KOSRPVAIDPYSCZ-FQEVSTJZSA-N 499.685 2.949 30 10 JFEE C#CCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598755 IIUPEQTWNJGGIO-KDURUIRLSA-N 466.590 2.579 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(Cl)cn1 1507661564 ZJXDCIDEEMZOBE-UHFFFAOYSA-N 485.017 2.560 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1oc(CC)nc1C 1507667458 MUTBMBIAZCLMPM-UHFFFAOYSA-N 455.522 2.562 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(N(C)C)nc1 1507680847 OGZSGYYDXDQMRD-UHFFFAOYSA-N 450.543 2.940 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1507731373 GXFAEXFDGMDKPB-GOSISDBHSA-N 477.535 2.843 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCO[C@@H]2CCOC2)CC1 1507734018 FSIREDAFVBPLJC-OAQYLSRUSA-N 471.989 2.760 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(OC)CCCC2)CC1 1507735506 XHVWRBCQKGCFMJ-UHFFFAOYSA-N 451.571 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OCC)c2ccccc2)CC1 1507739866 GIJGAWBWLQMRCF-XMMPIXPASA-N 489.624 2.883 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507779538 CZBAODHMZAVQQT-OCCSQVGLSA-N 451.756 2.865 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1507894513 FEGPWYKKPMVUDW-UHFFFAOYSA-N 487.004 2.546 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507915146 UFAMZRVEVUIIDL-FQEVSTJZSA-N 454.623 2.504 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1507934651 ITXMCXHTGDMKMH-GOSISDBHSA-N 455.588 2.754 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1508017338 ANYQLPQQBCSDKW-UHFFFAOYSA-N 461.570 2.899 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1508074008 NGIKWNVTDLSBLD-GOSISDBHSA-N 465.558 2.512 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1508074933 UKSRYNWUNYBFFS-UHFFFAOYSA-N 451.449 2.963 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508075302 WALLFHPFNRFXKN-IRXDYDNUSA-N 490.402 2.881 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCCCC2)CC1 1508085560 IFTYZWOCVIFKNI-UHFFFAOYSA-N 458.557 2.904 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1508110386 ZQUWLELLHFKNLG-KRWDZBQOSA-N 480.491 2.680 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1508136614 TZIKXPGWXFDHAW-HOTGVXAUSA-N 466.629 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C)=C(Br)C1 1508138062 VSAVRFUBCYVQAW-UHFFFAOYSA-N 452.378 2.820 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1508154851 FDBUYLFLGLENRJ-UHFFFAOYSA-N 495.653 2.852 30 10 JFEE CCOC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1516081165 AQFFHWGGTPSKDZ-UHFFFAOYSA-N 453.591 2.820 30 10 JFEE Cc1nsc(N2CCN(C(=O)[C@H](C)SCc3nc(O)c4ccccc4n3)CC2)c1C#N 1527234405 GVNJEERZAUBKFF-AWEZNQCLSA-N 454.581 2.943 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1539029427 IRKHXWNSFMMTPI-ZMWWRJPQSA-N 467.614 2.893 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1539046018 KINMQKQOLSUWMO-UHFFFAOYSA-N 466.586 2.926 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2OCCC2(C)C)c1 1539046524 VFFDRRZDJFIULI-RRPUWOKSSA-N 481.597 2.873 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539104203 GPVWAJGUQKWLFJ-RDPSFJRHSA-N 464.614 2.746 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539203974 XAJHDXUYOKODTQ-QYXIYQDXSA-N 486.638 2.823 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1Cc1ncnn1C(C)(C)C 1539423169 TVCFXBJBIHAGSE-UHFFFAOYSA-N 457.966 2.991 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539526512 LIYXPBUAVZTGRI-UHFFFAOYSA-N 486.642 2.862 30 10 JFEE C#CCSCCn1c(N2CCO[C@@H](c3cccc(OC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1539530895 ONPUVEIZIFPBIY-ZJSXRUAMSA-N 472.611 2.883 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539735079 FHEDIFVYZWSULJ-UHFFFAOYSA-N 488.036 2.721 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1539823467 DFCHAGCKTLXFHH-INIZCTEOSA-N 468.002 2.954 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2nc(-c3ccccc3)no2)CC1 1539829205 VQRYMXMTPTYONA-SJORKVTESA-N 471.587 2.898 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1540033429 IHRXAIFLIKCTQD-FGZHOGPDSA-N 495.672 2.868 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCOC1 1540146460 BBJGZFMJFXWVSE-OAQYLSRUSA-N 459.597 2.675 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540866260 IFKNJZDXPZKLSW-UHFFFAOYSA-N 484.910 2.796 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540875155 CMSTXQBDVGVJFP-VQTJNVASSA-N 457.600 2.565 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1 1540907085 LDFBNRDJUOPULU-UHFFFAOYSA-N 486.667 2.756 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ncccc2F)CC1 1540920080 NKFGPJVLUJPHAH-UHFFFAOYSA-N 459.595 2.571 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1541803344 GOSFYDLXSHZFNX-YJBOKZPZSA-N 482.557 2.509 30 10 JFEE Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]3CO)n(C)n1 1548412662 PVFVXWOCFMIDCY-QGZVFWFLSA-N 461.488 2.970 30 10 JFEE C=CCN1CCC(NS(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)CC1 1561228342 LCNHACYNDAIOSX-UHFFFAOYSA-N 450.742 2.878 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)ccc1F 1567763791 PKRCALOEMDFYKS-UHFFFAOYSA-N 450.507 2.639 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1587823008 JAHAQPVSTPXLDW-UHFFFAOYSA-N 498.697 2.757 30 10 JFEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1587847806 SMIWNDFTONZAOX-QZTJIDSGSA-N 454.575 2.940 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(c2ccccc2OC)C1 1588090161 SLETZOUAALTVST-WXVAWEFUSA-N 477.609 2.927 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1 1588185876 PADYBRPAIQVXIE-QFIPXVFZSA-N 477.487 2.778 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1588214273 ONFIZGINPKDPRD-QFIPXVFZSA-N 457.626 2.926 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)OC(C)(C)C 1588251205 OILRDXAEFHNKSD-UHFFFAOYSA-N 470.599 2.647 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588387892 WKHPOWJQASUEND-UHFFFAOYSA-N 480.617 2.779 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 1588605097 YNWGBNPPUQSHST-UHFFFAOYSA-N 470.459 2.824 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCCOC2)CC1 1588741671 GREIVZRKATYQNF-LEWJYISDSA-N 453.587 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCC)CC1 1588929485 BCWIVVFAIKJNJG-JOCHJYFZSA-N 467.570 2.573 30 10 JFEE C=C(Br)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1589395775 ZUYQWCHDEBGWMP-HNAYVOBHSA-N 465.440 2.833 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1589548388 ZARRORHFNPTNGF-NMLBUPMWSA-N 477.606 2.793 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](COC)C1 1593735665 OVPQEHAHUREKPT-GOSISDBHSA-N 462.620 2.694 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2cccc(OC)c2)CC1 1594009798 PXWYFDJLDWWHHP-UHFFFAOYSA-N 454.575 2.792 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1594497624 KQEDJNVHOPMRLF-SJLPKXTDSA-N 490.626 2.853 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC=CO1 1595100139 NENIPTPCWFGERT-LEWJYISDSA-N 453.568 2.937 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@H](SC)C1 1595497237 UUUGEZGMYNDUTO-KRWDZBQOSA-N 475.615 2.995 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCCc3c2cnn3C)cc1 1595608069 OWIKOOJIOVMXLV-UWJYYQICSA-N 499.641 2.749 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC2CCOCC2)CC1 1595778374 YQMUYEXJJLQOMV-UHFFFAOYSA-N 494.061 2.748 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 1615837283 DIHHXXLKUBXPLD-GOSISDBHSA-N 482.036 2.866 30 10 JFEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2cc(CC3CCCCC3)nn2)c1 1616125907 ANVTVEIVLGQQIW-YSFYHYPLSA-N 452.584 2.966 30 10 JFEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1619589645 HHNDNCYSABPBGK-SFHVURJKSA-N 465.558 2.630 30 10 JFEE C#CCN(C(=O)CN(C)C(=O)[C@H](C)n1cccn1)[C@@H]1CCOc2ccc(Br)cc21 1628058519 YIPXEGLEKAKYGX-MAUKXSAKSA-N 459.344 2.651 30 10 JFEE COc1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1OCC(=O)NC(C)C 1632328413 FTADTWGCXMANRB-UHFFFAOYSA-N 454.502 2.572 30 10 JFEE C#CCN(CC(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1)C(=O)OC(C)(C)C 1645073302 GBPFIGZPEGSWNB-UHFFFAOYSA-N 457.506 2.922 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)s1 1651387650 FXZHDOKHTBMIGQ-UHFFFAOYSA-N 455.989 2.873 30 10 JFEE COc1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC2CCCC2)c1 1669919566 AQNFELXBMPFBGC-UHFFFAOYSA-N 452.559 2.962 30 10 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KDGVGUVZGZIUPQ-UHFFFAOYSA-N 450.385 2.966 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705750556 HQRKKNLRVWPYIQ-FGTMMUONSA-N 494.017 2.824 30 10 JFEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705808141 BLVFPKIBFUPECV-UHFFFAOYSA-N 465.606 2.930 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccs1 1705818971 AFMFOOHWPKFIGE-IRXDYDNUSA-N 451.618 2.980 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)Nc1ccc(F)cc1 1705844191 XNIQBIXMGAVREG-SFHVURJKSA-N 474.537 2.987 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1705862095 YOZLCBZUGZIVOA-HXUWFJFHSA-N 460.600 2.652 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1705868799 BPEJWYMUYGFLLV-UHFFFAOYSA-N 454.550 2.717 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1705879844 NBWRXZPSTQJMHZ-SJLPKXTDSA-N 468.670 2.857 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705893154 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C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1722363469 UIFQTSPBGGWSIE-YDIMBITNSA-N 472.611 2.928 30 10 JFEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1722367076 KOPANDNDQYDJFI-HKUYNNGSSA-N 458.584 2.506 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722368359 QIMLEBXZQNIITG-UXHICEINSA-N 464.632 2.743 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1N(C)CCCC1(C)C 1722376598 VBJXINZTJGIUHI-FQEVSTJZSA-N 481.670 2.740 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1722388596 DNUAXUQOHWYHSN-UHFFFAOYSA-N 451.534 2.560 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1noc2c1CCCC2 1722390578 TZXZIBUEIKNOGE-UHFFFAOYSA-N 463.563 2.727 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(Br)cs2)CC1 1722432256 XQLOOJSZLVTUJS-OAHLLOKOSA-N 468.421 2.630 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCn2nc(C)cc2C)CC1 1722449473 SNMGXDFFDWZARS-UHFFFAOYSA-N 489.624 2.747 30 10 JFEE 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478.590 2.646 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(=O)CCC)cc1 1539259943 KFHBRFQZABTIFW-UHFFFAOYSA-N 458.522 2.866 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)S(=O)(=O)CC 1539320225 RRZWHJCBSCGHJV-UHFFFAOYSA-N 464.595 2.628 30 10 JFEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539377443 IJMWIHNNUNYCFQ-UHFFFAOYSA-N 455.559 2.919 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1539434539 MIEHLPXQMFIGMJ-UHFFFAOYSA-N 466.586 2.576 30 10 JFEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539526787 PMOWZJSNIPEFOX-UHFFFAOYSA-N 479.697 2.763 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCCNS(C)(=O)=O 1539542429 ZEABWSQJARHBNC-HSZRJFAPSA-N 452.584 2.733 30 10 JFEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NC)CC1 1539599562 HSMGNFOKLNDXCN-KRWDZBQOSA-N 462.348 2.662 30 10 JFEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1539693221 FTCNROZKRZJMDH-KRWDZBQOSA-N 465.562 2.848 30 10 JFEE 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C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(Cl)s1 1705535006 YDOYQECAECBVOZ-MRXNPFEDSA-N 472.036 2.766 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705578575 YDBUFLZCVVMXSM-HXUWFJFHSA-N 451.534 2.558 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1705619120 HYEIMXQASUTGTC-AREMUKBSSA-N 479.556 2.765 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(SC)CC2)CC1 1705647043 YCNLCQJMBVLGND-UHFFFAOYSA-N 499.637 2.832 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)N(C)CC)CC1 1705651057 IFRAZEUWCVGSQO-UHFFFAOYSA-N 494.640 2.733 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705776966 UYAFSCBSDVZNDA-WMZHIEFXSA-N 469.577 2.689 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705786267 KEIQXMVIEVMOTQ-MOPGFXCFSA-N 494.706 2.966 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1705819985 YGRMBDWGNSTDDU-JBACZVJFSA-N 459.616 2.960 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccc(C(F)(F)F)n1 1705837269 WACNSMLUWCXWPY-UHFFFAOYSA-N 495.531 2.869 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1705856900 KFLHUAJFJCSRQR-HXUWFJFHSA-N 487.626 2.788 30 10 JFEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1705886531 CINQHUPCUIOFGI-PMACEKPBSA-N 482.629 2.775 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705906487 HFMBCUFETXCJER-BVZFJXPGSA-N 482.585 2.571 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC=C)C1 1705913215 HQPKEBGLKVBRPA-WOJBJXKFSA-N 458.584 2.575 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1)S(C)(=O)=O 1710140696 IBFGUWJPHGAADH-UHFFFAOYSA-N 452.531 2.724 30 10 JFEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722313053 OYXPBIBGHPBKTP-UHFFFAOYSA-N 465.646 2.858 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722322423 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1722566634 VYWMDOVXZBQMNV-NRFANRHFSA-N 471.627 2.867 30 10 JFEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)C(=O)NC)CC1 1722569085 MJZTVNOEMPCQDQ-UHFFFAOYSA-N 465.646 2.571 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1722698121 UPVLFHCPVCNTHG-UHFFFAOYSA-N 453.934 2.679 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722727526 JCWBAPDAEPKOMQ-GOSISDBHSA-N 452.543 2.607 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1722739148 ANFQUASMCAKINX-IBGZPJMESA-N 469.615 2.939 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCCC1(C)C 1722866698 CTFZWPFUCLSDSL-UUOWRZLLSA-N 452.607 2.989 30 10 JFEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1723535884 HCKGEDRGDIIDBW-RTWAWAEBSA-N 451.575 2.870 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](Cc1ccccc1)OC 1740546940 MAOKUWXKOFFJQG-QUCCMNQESA-N 466.611 2.954 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCc1ccc(OC)cc1 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C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)Oc1cccc(F)c1 1740657838 ZLTAJRVZHMOWAD-QUCCMNQESA-N 458.559 2.640 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1740695572 XIDMAZURYYKNSQ-UHFFFAOYSA-N 485.514 2.983 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(F)(F)Br)CC1 1740696985 NQRLUFJIHIDLIA-UHFFFAOYSA-N 454.319 2.620 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCNC(=O)c2occc2C)CC1 1740699930 ZMCJTRDKILEYHD-UHFFFAOYSA-N 490.608 2.951 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1740704861 ZIVPNBAINNMEIG-NHCUHLMSSA-N 473.625 2.903 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740712713 RGCKBWABEFKJRQ-HSZRJFAPSA-N 463.655 2.788 30 10 JFEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740714218 XJRSBHSYNYBTNJ-GOSISDBHSA-N 492.531 2.835 30 10 JFEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740777717 AUKDRQSJSOIYPS-TZIWHRDSSA-N 473.666 2.590 30 10 JFEE 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FNZHPKVKIJUNLP-HHJKRLRDSA-N 451.571 2.952 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCn2cc(C)cn2)CC1 1286486800 BNKAZNCRJBKQPP-IBGZPJMESA-N 479.560 2.728 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 1286501367 VTOIXVLOEQAOHC-UHFFFAOYSA-N 461.035 2.909 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCNS(C)(=O)=O 1286587382 IKRJUXLHHUADNX-UHFFFAOYSA-N 462.801 2.923 30 10 JFEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCNS(C)(=O)=O)CC1 1286666789 YIGDFPITNQEECZ-UHFFFAOYSA-N 451.618 2.531 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286788784 GFIVGTQZJNFKIG-GOSISDBHSA-N 485.976 2.909 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1296248717 GFUDROPRNISULP-DEOSSOPVSA-N 452.559 2.508 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@H](O)C2)cc1Br 1300076253 DRDFQSBCTXIFCT-HYVNUMGLSA-N 476.375 2.996 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1300283520 NFBHTHASJVZICE-LSDHHAIUSA-N 496.431 2.598 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300541479 VSNGQAJFBQLOIL-QFIPXVFZSA-N 454.578 2.606 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCN1C1CC1 1300590830 HWXWDUCUBJVJNE-HXUWFJFHSA-N 450.612 2.749 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(Cl)c2)n1 1300681400 NWGBBEBNZKAFCR-FQEVSTJZSA-N 485.951 2.553 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CSCCS2)CC1 1300710424 ANVFODOCHYESPZ-MOPGFXCFSA-N 492.715 2.954 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 1300765390 CYXSYUDKVWPZJE-UHFFFAOYSA-N 457.619 2.923 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1300890442 GVBSUIOEYPYOAN-REWPJTCUSA-N 468.602 2.998 30 10 JFEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1301270128 CYRJYUVAVQMSSB-QHCPKHFHSA-N 455.584 2.524 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1301373051 RQJJFGJOZVGCHP-UHFFFAOYSA-N 454.394 2.777 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 1301423717 BTRFUQSGSBWVOS-HXUWFJFHSA-N 472.590 2.863 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1301565270 AQGPBFLOLQJXRS-RBUKOAKNSA-N 450.509 2.929 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(C2CC2)C1 1301802705 CRROWKJQKCSLBH-HNNXBMFYSA-N 462.396 2.886 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C2CCOCC2)nn1C 1302073305 GKMDEZGNBCMCDF-QGZVFWFLSA-N 459.572 2.550 30 10 JFEE Cc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)c(N2CCOCC2)c1 1304361945 HNVRHLSMSJBREB-IBGZPJMESA-N 462.602 2.929 30 10 JFEE CCCCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1306721679 AJQLYTWHZZRZEX-DEOSSOPVSA-N 492.672 2.682 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)ccc1F 1354947400 ISPCNGWJVDNWFY-LJQANCHMSA-N 459.543 2.715 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1358902886 CUJWSCINTAIFRS-QHCPKHFHSA-N 464.614 2.644 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358955539 NYUKNVDASDWFCR-AZUAARDMSA-N 469.611 2.820 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358961963 HPOPYUGKZGOUTD-NQIIRXRSSA-N 482.528 2.622 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCCN1CCC(O)CC1 1359013333 UHQNWJRWPRXVNC-UHFFFAOYSA-N 476.419 2.926 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2ccco2)N(C)C)CC1 1359041688 FLNGMSIEGLFCNH-OAQYLSRUSA-N 491.552 2.715 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1359056337 CTVLEQZZBNPNCR-NRFANRHFSA-N 468.627 2.647 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1359090662 DXMGTNFSUGRIAV-JWWGGVBKSA-N 493.605 2.587 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCOC 1359094137 XLVJASMEEMTPJN-MSOLQXFVSA-N 462.620 2.610 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1359102346 AFCFGJKTANAANI-UWJYYQICSA-N 474.993 2.953 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359295255 WAPKGENUZUUDDV-UHFFFAOYSA-N 495.447 2.812 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1359305139 UKMOYFDIWBMUCX-UHFFFAOYSA-N 456.909 2.910 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCN2CCOCC2)C1 1359313018 FROIOVVHPVNBED-IBGZPJMESA-N 493.450 2.940 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1359343752 ZVABIBSJTHWIMY-ORFBVSJDSA-N 490.718 2.908 30 10 JFEE C=CCSCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359346831 XGWLXRUSCSFRHB-DXIQSLLYSA-N 452.621 2.622 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1359396525 DCINEKBBJVJKQN-UHFFFAOYSA-N 493.568 2.749 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1359929331 CMCLDIIMUKQUSA-IRXDYDNUSA-N 455.529 2.880 30 10 JFEE COc1cccc(O[C@H](C)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1361105950 BQAQABUWHNTCNT-QGZVFWFLSA-N 457.552 2.551 30 10 JFEE Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)nc2c1c(=O)n(C)c(=O)n2C 1361233801 HPPXFJZFAQCWGY-UHFFFAOYSA-N 459.437 2.996 30 10 JFEE C#CC[C@H](CO)NC(=O)c1sccc1NC(=O)c1ccccc1I 1450526367 NFLFDMCFJNMBNV-LLVKDONJSA-N 454.289 2.719 30 10 JFEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(NC(=O)N(C)C)c1 1468144662 IEHRDLNMWUDZMA-SFHVURJKSA-N 457.556 2.872 30 10 JFEE COC(=O)c1cc(C)c(F)c(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1475247697 FHUJZFDYTQGAEF-UHFFFAOYSA-N 451.907 2.957 30 10 JFEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507555426 QHOXNTSVQYCKAC-GOSISDBHSA-N 453.543 2.585 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(=O)NC1CC1 1507669954 VVCVNAOZMJOKTH-UHFFFAOYSA-N 482.629 2.914 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507681563 ZIJHVZXBPMYKMV-GOSISDBHSA-N 461.526 2.981 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)CN1CCOCC1 1507704154 QVDUMCHDSHVBMB-FQEVSTJZSA-N 462.598 2.856 30 10 JFEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1507710637 RXWOMJVAGBGXKN-FQEVSTJZSA-N 476.503 2.776 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1507734081 GRPMCXPWQXBBFB-AREMUKBSSA-N 461.566 2.974 30 10 JFEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1507744872 PYYUTOIWBITEFU-DLBZAZTESA-N 472.640 2.959 30 10 JFEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507758283 KYNKNHPBUOUXMQ-FLFXDLLNSA-N 491.658 2.799 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1507794418 HTSBYGVAKRWGSE-VGSWGCGISA-N 491.011 2.929 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@H]1C 1507802207 ABAIUOSWBMPSOZ-ZJSJBZJDSA-N 459.616 2.993 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1508087568 UDHMGJBJGQSXIQ-UHFFFAOYSA-N 480.544 2.610 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1508089920 KVWZKERTCSISEC-RLLQIKCJSA-N 488.633 2.699 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 1508138235 YVBREJRUCLOTBH-UHFFFAOYSA-N 474.537 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1508140096 KOPQEDRLDIBAEX-OAQYLSRUSA-N 471.558 2.966 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508141926 QHRBLVIIRMBQAF-OALUTQOASA-N 497.662 2.956 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1508164966 OKJBTNZIVWEDBO-QFIPXVFZSA-N 455.676 2.788 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)C[C@H]2CCCO2)CC1 1515891616 FQBIKNAZKABXFB-NZQKXSOJSA-N 451.619 2.848 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1538954079 RKFPZMGMGMKPKN-HXUWFJFHSA-N 456.587 2.693 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539202394 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C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722451987 ABTAOGSVZGRPIW-HXOBKFHXSA-N 490.029 2.612 30 10 JFEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722522018 ODZCPJICSWMVDM-UHFFFAOYSA-N 469.615 2.957 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722704451 TYWBQLCHSXCNGV-KOSHJBKYSA-N 487.626 2.656 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)C1 1722717796 DQTBRQBLZPOUKM-WTGUMLROSA-N 466.648 2.803 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1722729858 ZCULBYNZCWJEOB-UHFFFAOYSA-N 484.960 2.771 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722736886 LMJVCSHFHMXTBD-UHFFFAOYSA-N 465.627 2.627 30 10 JFEE CCCN1CC[C@H](Cn2c(-c3ccc(OCC)c(OC)c3)nnc2N2CCO[C@H](C#N)C2)C1 1728120138 BWWPEQIJEOCRCE-AZUAARDMSA-N 454.575 2.813 30 10 JFEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NCC)CC1 1728180364 FOZILXSUVLQDHO-UHFFFAOYSA-N 465.602 2.722 30 10 JFEE CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1729208419 CBRGWOXPYUOBJM-CVEARBPZSA-N 454.597 2.523 30 10 JFEE COc1ccccc1OC[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1730313475 FLGBASCGEWHVNG-GAJHUEQPSA-N 456.522 2.680 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC1CCOCC1 1740552430 YJGQJNBOHRTSBI-QUCCMNQESA-N 477.606 2.630 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CCCO2)c1 1740561399 DXMVVVMKSASXIQ-CLJLJLNGSA-N 481.597 2.944 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)s1 1740575812 VUOXORHTUNZCIV-MRXNPFEDSA-N 472.036 2.766 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1740623188 PSBCQDPBMGCYGP-OALUTQOASA-N 496.637 2.606 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740683381 FDXCDDSXFLVMKZ-UHFFFAOYSA-N 454.575 2.937 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1740693438 YHGGNEIAIFUUBN-NRFANRHFSA-N 470.065 2.627 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)N(CC)CC)CC1 1740693477 ZJQQAYDERLXVNW-KRWDZBQOSA-N 462.440 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCC)CC1 1740703642 ZMVJXLQWXSBCTP-UHFFFAOYSA-N 485.658 2.703 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1740703953 DMYYGQGVSRHWAI-QFIPXVFZSA-N 477.638 2.979 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCc2nc(C)cs2)CC1 1740708345 MFULMHUTKDZRQE-UHFFFAOYSA-N 494.669 2.893 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740711035 IKHRGDWPQLMNEN-NUJGCVRESA-N 459.547 2.858 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(=O)NCC)CC1 1740952782 NSCOEPCXIDQOHP-UHFFFAOYSA-N 488.017 2.967 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(N(C)C)CCOCC2)C1 1740984350 AFKLJYFPWFALTN-IBGZPJMESA-N 459.566 2.888 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H](C)N2CCCCC2)cc1OC 1748669542 CTMGBRHHOZTDBX-ICSRJNTNSA-N 454.575 2.956 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1748703562 SOMARMLQENSTBA-REWPJTCUSA-N 485.654 2.699 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1748730876 QKKGILGSMGBRNX-MHECFPHRSA-N 456.591 2.870 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1748785117 YYOFLBZHLHTBEN-UHFFFAOYSA-N 461.570 2.754 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](CC)N1CCc2ccccc2C1 1748830445 WKECFSZQESYDTJ-SQHAQQRYSA-N 461.610 2.840 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCn1cc(C)cn1 1748856000 PDMVFSYMPUGNJL-UHFFFAOYSA-N 453.344 2.898 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2cnn(CC)c2)CC1 1748984992 YQBKUTJMRLQEEH-UHFFFAOYSA-N 454.376 2.728 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749023547 VWPYTLBHCKQJRC-HOTGVXAUSA-N 477.432 2.660 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1749054234 QGKGLILVJPNSCX-UTSGNWPNSA-N 472.659 2.746 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1749126609 FENRJOOVHSBPJO-DYESRHJHSA-N 457.600 2.899 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)CCN1CCOCC1 1749141150 XCFBKBKTADSLEF-WMZHIEFXSA-N 459.566 2.746 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749355313 DUXUNQGQECUKCU-GOSISDBHSA-N 467.530 2.928 30 10 JFEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(F)(F)F)C1 1750212359 GTNQKDMERHLFBA-MRXNPFEDSA-N 470.521 2.925 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN(CC)S(C)(=O)=O 1760113977 ZXTHKTVLGWOPOZ-MOPGFXCFSA-N 496.678 2.522 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H](C)N2CCOCC2)c1 1760128752 RHHSDVUCHBTBJP-LJQANCHMSA-N 452.603 2.644 30 10 JFEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1760152734 XGHZZPDLXRCMLY-UHFFFAOYSA-N 477.613 2.635 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1760164905 DHXBFQBIXKZYJX-NRFANRHFSA-N 476.444 2.985 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760168535 GACJXXXBNRGGMU-HXUWFJFHSA-N 459.616 2.863 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1760190323 PCZDYCWQBBNJCK-QFIPXVFZSA-N 481.647 2.802 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCS1 1760197166 RKCHIHVRPHREKE-IBGZPJMESA-N 457.625 2.554 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N1CCOCC1 1760211271 CCHFZOLCEFJHTP-SFHVURJKSA-N 456.388 2.891 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCc2ccccc2C1 1760222686 VCLRKLBKIJKHFS-DQEYMECFSA-N 461.610 2.913 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760251326 XLUQLEDPTSOQRZ-JOCHJYFZSA-N 459.472 2.800 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2cc(OC)ccc2OC)CC1 1760260089 VUMLFIKHHYJWEC-QHCPKHFHSA-N 453.587 2.925 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1760270897 DYTMACMBQHTNCW-CTNGQTDRSA-N 476.581 2.510 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760273733 CZDOOCYBRKJFRX-IFXJQAMLSA-N 466.405 2.786 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 1760285778 QVIJEBQDULKSCV-UHFFFAOYSA-N 457.575 2.858 30 10 JFEE C#CCSCCn1c(N2CCN(Cc3nc([C@H](C)OCC)no3)CC2)nnc1C(C)(C)C 1760286850 WZMZVCQTUGZIDO-KRWDZBQOSA-N 461.636 2.745 30 10 JFEE C#CCSCCn1c(N2CCC(CCC(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286907 YUTYSMYEHLMXPZ-KDURUIRLSA-N 490.674 2.897 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2OCCC[C@@H]2C1)C(C)C 1760489855 LQDSJZMSHDUNBT-CIAFKFPVSA-N 456.635 2.933 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1760519146 TVCNJYWTPUSRSR-UHFFFAOYSA-N 459.616 2.558 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1760522830 ZJWCHHOCUWKBKK-UHFFFAOYSA-N 453.591 2.727 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C(C)C)cs2)C1 1760542796 KDCSXIOGSILWIA-JKSUJKDBSA-N 451.618 2.590 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760554007 OICVYBFKCZHQJM-QZTJIDSGSA-N 484.626 2.808 30 10 JFEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1765104125 FWWHKSIHVIXRKG-FQEVSTJZSA-N 453.572 2.544 30 10 JFEE CCCCCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 1861245553 AJEPPMBZUHYXBC-QFIPXVFZSA-N 468.598 2.737 30 10 JFEE C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)Cc1cc(Cl)ccc1S(=O)(=O)CC 1861909492 QKRCKQXLBFDZOS-QGZVFWFLSA-N 457.017 2.778 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2[N+](=O)[O-])cc1OC 1862574712 NQBMMQRDZLUNHA-FQEVSTJZSA-N 455.467 2.752 30 10 JFEE COCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCCCC1 1870323953 OMMDGTSCDKYWOC-UHFFFAOYSA-N 470.595 2.920 30 10 JFEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCC(N(C)C)CC1 1870519660 BCDCFCHQBFIZNK-UHFFFAOYSA-N 478.678 2.876 30 10 JFEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN1CCN(CCO)CC1 1870593401 SXFQNAPSCDDSBA-UHFFFAOYSA-N 463.578 2.755 30 10 JFEE 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2.830 30 10 JFEE C=CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](O)C(=O)O 757302355 WWSAJYMZZBVDBQ-FGZHOGPDSA-N 452.507 2.812 30 10 JFEE C=CCC[C@@H](NC(=O)[C@@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757432261 MPDCBOCYKXIBNK-DHIUTWEWSA-N 465.550 2.991 30 10 JFEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757451160 WKADUARGZQIFEE-NRFANRHFSA-N 450.491 2.518 30 10 JFEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 925881013 FGGXWQAAIHUOLH-WCCYLALTSA-N 461.584 2.875 30 10 JFEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2cccc(Cl)c2C)n[nH]1 1083960256 SLVWAOKHCWUERX-UHFFFAOYSA-N 462.967 2.749 30 10 JFEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3F)n2)s1 1084011217 XSQKZOLXNGLHTL-UHFFFAOYSA-N 468.565 2.711 30 10 JFEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)c1OC 1084025954 RFHBESJGUVIZGE-UHFFFAOYSA-N 471.499 2.585 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cnn(Cc4ccccc4)c3Cl)CC2)cc1 1204617615 DILKCYGPUOBWKU-UHFFFAOYSA-N 455.971 2.963 30 10 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCSCCCO)CC1 1286487008 KZJNYGGFXPBUBV-UHFFFAOYSA-N 480.009 2.819 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)NCC)CCC1 1286518272 RXXHAIOXUMUJGC-HSZRJFAPSA-N 469.611 2.647 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(C)(=O)=O)cc1 1286528052 OHYLHYXWKOEZOZ-XMMPIXPASA-N 497.646 2.908 30 10 JFEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286542867 DEYXUITYGQXVNP-JOCHJYFZSA-N 487.402 2.786 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286555045 JFILEJPMYWVHNA-JBACZVJFSA-N 481.663 2.799 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NCC)CC1 1286671186 TUJNRNQLXFGMTC-UHFFFAOYSA-N 488.662 2.692 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1286756316 KIRARJASSBQIOD-UHFFFAOYSA-N 461.501 2.984 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1286784003 SWXNWGXRZINFKX-MOPGFXCFSA-N 455.559 2.517 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1286787083 NVRBYSNJYOMZDI-IAGOWNOFSA-N 481.626 2.868 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1 1286797962 FLYFOWWGQKKDAS-MOPGFXCFSA-N 476.622 2.845 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286815614 XSJNDQVGRRATTK-RBUKOAKNSA-N 498.552 2.532 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ncnc4sccc34)CC2)nnc1C(C)(C)C 1286825156 MRNJPZZJDNTHCP-UHFFFAOYSA-N 475.644 2.508 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286833801 PBTIVHLRSTUATN-UHFFFAOYSA-N 466.615 2.617 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1287067853 CEZBCYFXPZOSQJ-UHFFFAOYSA-N 474.587 2.613 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4ccc(S(=O)(=O)NCC)cc43)n[nH]2)c1C 1294184901 XGZMONPIRWZLNP-UHFFFAOYSA-N 454.556 2.577 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1300471559 GJSHRIBHTLQDBY-QGZVFWFLSA-N 472.615 2.986 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1300487434 JJOQIUNTHNXZPN-FQEVSTJZSA-N 467.595 2.688 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1300488031 ODGZXNYSGSQFFL-VGSWGCGISA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300502386 SLEGKTVFRWJISA-HSZRJFAPSA-N 469.655 2.564 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCCCO1 1300538971 WHDPYXLUQCOQNE-VQTJNVASSA-N 457.575 2.619 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCNC(C)=O)CC1 1300712436 SFPWIIWTBDDCIT-KRWDZBQOSA-N 487.004 2.564 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCSC2)CC1 1300715987 HRIZBBZGDYITRS-QGZVFWFLSA-N 499.637 2.690 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1300743288 LLVSXUJVLGAGHD-RBUKOAKNSA-N 460.625 2.578 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1300999963 MBYQVZOZHCBOSC-GGAORHGYSA-N 455.603 2.915 30 10 JFEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1301176143 QSJSRNHMPIBYCS-UHFFFAOYSA-N 451.369 2.863 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1301428915 CIRSHYQFLOVQDD-UHFFFAOYSA-N 450.547 2.737 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1301508347 INJLRGGSOLMFSD-UHFFFAOYSA-N 450.490 2.990 30 10 JFEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1F 1309979550 DMFWMHZKEFUWDL-IBGZPJMESA-N 451.907 2.996 30 10 JFEE CSc1cc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)ccn1 1316413019 CXTNQDVTIYAPDT-SFHVURJKSA-N 483.985 2.755 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)c3cc(Cn4cc(Br)cn4)on3)CC2)c(F)c1 1352236674 DZUPMCYVQKCIEQ-UHFFFAOYSA-N 459.279 2.655 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1358906633 OIHNGZXBEFZTJG-UHFFFAOYSA-N 475.615 2.626 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1358957867 BQPYPQJGHVLNRK-OAQYLSRUSA-N 457.644 2.722 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1358960612 ILGYXWLTQTVIEG-IBGZPJMESA-N 468.608 2.522 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(c2ccccn2)CCC1 1358971601 BEDAMZYLAQPTBN-UHFFFAOYSA-N 488.617 2.785 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCNC(=O)c2ccco2)CC1 1359030461 WMPJNQWUUOGTAE-NRFANRHFSA-N 476.581 2.813 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1359042748 RYFLTDYZPXHHDG-UHFFFAOYSA-N 492.555 2.690 30 10 JFEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359290296 UHWAUMMRGUPIGJ-UHFFFAOYSA-N 463.007 2.583 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC[C@H](C(=O)NC)C3)nnc2[C@]2(OCC)CCOC2)cc1 1359308218 HVAWDLXWKFDUKH-CPJSRVTESA-N 469.586 2.506 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C1 1359312540 WPTDVOWQLLBVFN-INIZCTEOSA-N 461.950 2.671 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1SC 1359330929 HFYDNIWXTXSPOO-UHFFFAOYSA-N 489.623 2.965 30 10 JFEE CC(C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1359641015 DRPIOCZHLVNXQC-UHFFFAOYSA-N 468.606 2.703 30 10 JFEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCc2ccccc21 1439624322 MBRVKDGLOUAUOR-QFIPXVFZSA-N 456.539 3.000 30 10 JFEE COC(=O)c1cn(-c2cccc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)nn1 1466533751 DNPAQJOXWOTPOV-UHFFFAOYSA-N 459.510 2.665 30 10 JFEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C)c(I)c1)C(=O)OCC 1475579450 PNZDDRGCXWXTBS-ZDUSSCGKSA-N 457.717 2.952 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1494234566 CCFPBCHFGXBUOH-CQSZACIVSA-N 458.448 2.963 30 10 JFEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 1497786718 AJERTSRMRWTCCC-UHFFFAOYSA-N 486.642 2.884 30 10 JFEE CN(C)C(=O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)c1 1503356676 GDSXEGLOMHISAU-UHFFFAOYSA-N 472.553 2.806 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1507556189 FHYMMVGKPPAUCY-UWJYYQICSA-N 477.606 2.781 30 10 JFEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1507583385 RAJQHUMOWBMFRR-FQEVSTJZSA-N 456.616 2.893 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1507635677 UODPFYXGXXXALB-NJDAHSKKSA-N 474.602 2.837 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1507637840 BXFZFCDWQNOKNE-HXUWFJFHSA-N 483.569 2.569 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCC[C@H]1C 1507644671 LKDAOTXUKNZCEC-HXUWFJFHSA-N 453.612 2.686 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507661499 XJMXRAQDCVUCBU-HSZRJFAPSA-N 495.571 2.942 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cc(Cl)cn2)CC1 1507733297 SUNABYWJVXYMAN-IBGZPJMESA-N 489.024 2.655 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(OC)cc2)CC1 1507738135 KJONKMSNEJZYEJ-UHFFFAOYSA-N 458.566 2.866 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nc(C(C)C)cs2)CC1 1507739846 VKWYPVIYTQZCHM-GOSISDBHSA-N 456.616 2.766 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1507741537 WMERJVSTZQQDEA-KCZVDYSFSA-N 470.662 2.852 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1507744844 XGBNPYKLFVAGQS-UHFFFAOYSA-N 474.675 2.792 30 10 JFEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1507959106 MQHQEGBPSLSGDQ-FQEVSTJZSA-N 453.503 2.757 30 10 JFEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507964938 IQDQRSVJNZNJHF-IBGZPJMESA-N 465.645 2.527 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1508001596 VSMDIJSMQWHOBY-AZUAARDMSA-N 469.615 2.540 30 10 JFEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1508095316 NGTZJUXBHILLJT-DEOSSOPVSA-N 490.004 2.549 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ncc(Cl)n2C)cc1 1508100075 CKSIJVZSINWLIR-KRWDZBQOSA-N 491.017 2.817 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1508149594 BWYGRMHLLIJTNL-HTAPYJJXSA-N 478.640 2.652 30 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30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)CC1CC1 1539241824 JYESPEWUKMILQP-UHFFFAOYSA-N 479.375 2.744 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1539344655 FXWXAEIFNZCREL-NBGIEHNGSA-N 451.571 2.831 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC(OCC)C1 1539346135 BMOCLQDVMYTGGI-UHFFFAOYSA-N 491.434 2.765 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1539392457 QOWUWTZLWVAIPV-FQEVSTJZSA-N 485.560 2.890 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)N[C@@H](C)CC)CC1 1539459549 JJJGHGYFJVZKJA-NRFANRHFSA-N 452.603 2.534 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCOc2ncccc2Cl)CC1 1539460060 UOGMBQMCVWSIIM-UHFFFAOYSA-N 466.973 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(N(C)C)CCC2)CC1 1539488844 DDBNUFNYFGXPEW-NHCUHLMSSA-N 470.662 2.647 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1539511027 PGUVDYRVUREVLR-UHFFFAOYSA-N 479.654 2.819 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)N(CC)CC)cc1 1539532608 AFYBRTCXAMFOQN-RUZDIDTESA-N 450.587 2.939 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539925677 AWKNBLAUCCFMHT-FGZHOGPDSA-N 499.704 2.629 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1540861842 IOPAPSWOWBHGQY-UHFFFAOYSA-N 450.587 2.683 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1540863602 ZFZNFXGCCZSJHY-AWEZNQCLSA-N 471.455 2.753 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCNC(=O)[C@@H]1CC 1540865564 KVDCJCQQXYMGRO-KRWDZBQOSA-N 468.558 2.830 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(c2ccccc2)C1 1540874510 IYCHOHGEZQAZJP-UHFFFAOYSA-N 462.579 2.866 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2ccnn2C)CC1 1540898733 SPZFVGUKEOFCRR-UHFFFAOYSA-N 470.599 2.672 30 10 JFEE C=CCSCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540922248 INWASVDMGAXIFG-SIKLNZKXSA-N 462.620 2.549 30 10 JFEE CCn1ccc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]3C(=O)NC)n1 1548378140 XEJIKOUQVYOMLB-IBGZPJMESA-N 488.514 2.898 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(=O)NC)c1 1587640588 UHSCMXUMJFVOMH-GHTZIAJQSA-N 496.612 2.647 30 10 JFEE C#CCCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587793224 JZKOFGQLKJUTEK-BGYRXZFFSA-N 480.617 2.969 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1588039731 CYFWEFUYBPREFJ-HNNXBMFYSA-N 488.944 2.516 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC[C@H]1COCCO1 1588099753 XWXOMNNIPAJCEY-KRWDZBQOSA-N 459.344 2.595 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCc1cnc2c(Cl)cnn2c1 1588167182 ZOQWWUMFQJPCNW-UHFFFAOYSA-N 475.940 2.877 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(CSC)c2)CC1 1588865190 QIQIAEDJINIKMI-UHFFFAOYSA-N 480.663 2.936 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nnc(C)s2)CC1 1588946605 GAVKNIIIGADYII-UHFFFAOYSA-N 485.564 2.516 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1589721949 IYORVRCGXSUHNO-UHFFFAOYSA-N 485.585 2.622 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593770059 UZRYFLRWVSTDBB-RUZDIDTESA-N 471.602 2.944 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1)c1ccccc1 1593782053 FIUJDCYBQCBTFI-MRXNPFEDSA-N 471.587 2.677 30 10 JFEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1593923003 ALPVBUDGROIJHX-QGZVFWFLSA-N 484.022 2.726 30 10 JFEE C=CCn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)[C@H](C)C2)nnc1-c1ccc(Cl)cc1 1597425652 QJPCTQVQUMFYSC-CZUORRHYSA-N 455.005 2.959 30 10 JFEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1603157774 BDBWWRDLWWNUIK-ACRUOGEOSA-N 457.600 2.891 30 10 JFEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1=O 1619927358 FFBNGSMIBOICHN-PZJWPPBQSA-N 466.586 2.563 30 10 JFEE N#CCOc1cccc(CNC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)c1 1628995665 BKNGTHWEYIDLHY-UHFFFAOYSA-N 458.721 2.582 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1632310940 ZROMFXANAQDSPM-MRXNPFEDSA-N 451.589 2.916 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCOC)[C@@H]3CC[C@@H](C)C3)nnc12 1641519672 RKEGRBHYKABNTG-IAGOWNOFSA-N 455.584 2.986 30 10 JFEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OCC 1643652111 IEYBGDZXYGDORA-ZDUSSCGKSA-N 456.870 2.651 30 10 JFEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 1665974185 ZBJBMFYEFYNTBG-UHFFFAOYSA-N 459.376 2.670 30 10 JFEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1678631460 VIXZRDLWAMMLQC-LJQANCHMSA-N 458.534 2.975 30 10 JFEE Cc1ccc(C2(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)c(C)c1 1681517215 GAZVINHBQJLSMS-UHFFFAOYSA-N 452.580 2.923 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1689834879 AZYFETAHSDFQOS-DLBZAZTESA-N 498.575 2.538 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1689961264 RDDHXQJFBQLSRE-HXUWFJFHSA-N 499.566 2.661 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689980811 XVCLXLGLIXZKEB-XZOQPEGZSA-N 492.649 2.956 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689986900 ZGRNNSLCQYIMRE-IBGZPJMESA-N 473.618 2.975 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1689992634 NKEYYVUCQXPWJT-FQEVSTJZSA-N 473.618 2.509 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689996651 LKHHHTZQTOHTNX-GHTZIAJQSA-N 490.626 2.554 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690115542 JYXZIPOROJSXMA-BTYIYWSLSA-N 450.370 2.547 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 1690148530 KEJKFWJVXJXTOI-QFIPXVFZSA-N 464.614 2.652 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)Cc1ccccc1 1690202888 JCLOMOBYMVBFMS-HSZRJFAPSA-N 452.584 2.676 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690224189 FUPQZBGAIVIOPO-UHFFFAOYSA-N 469.322 2.981 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690234952 SGWHDELZTMUXHR-IKGGRYGDSA-N 470.412 2.604 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690316740 KZVUANVYSNHUIG-OFNKIYASSA-N 486.686 2.902 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690665530 HDGMHVSWFYWKHE-QUCCMNQESA-N 468.602 2.716 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690678440 WFTUOFWTYKKJLA-FGTMMUONSA-N 476.622 2.602 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690682638 UVFTVVZNXQVDGX-IBGZPJMESA-N 453.568 2.967 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(C)COCCO2)C1 1690700405 RWAPOTPQOCTQBO-NLFFAJNJSA-N 491.633 2.979 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690744900 UKIDDMVTFYQRFW-SFHVURJKSA-N 477.656 2.851 30 10 JFEE CC(C)N(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1692480809 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1705716552 OBZFWLQWRFKRSQ-FDDCHVKYSA-N 465.595 2.794 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705732247 SXMYOJOFCMITFN-BWKNWUBXSA-N 491.640 2.788 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705737932 FYJYTEVQWWUYCD-HXUWFJFHSA-N 460.648 2.775 30 10 JFEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(C)=O)CC1 1705806688 KDGBPOARRYYSJT-UHFFFAOYSA-N 452.607 2.913 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](COCC)C1 1705895256 ZQERXTDTTVAJDQ-LJQANCHMSA-N 454.575 2.702 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCc2c(ccnc2O)C1 1705896031 AAISOHAPUARYQB-UHFFFAOYSA-N 499.369 2.682 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705896284 HRYHAXGLEMXYAD-MRXNPFEDSA-N 487.402 2.505 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705896657 TZZCBBPLWKVKAV-UHFFFAOYSA-N 493.431 2.520 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 1705904606 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C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1358955380 KVPCKLLUQOPUOM-NRFANRHFSA-N 485.654 2.683 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358957199 QXESGVAXVZIOMA-ZWKOTPCHSA-N 464.563 2.609 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1358983470 JEFQTBONCVEHSO-IFMALSPDSA-N 483.638 2.568 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)c2ccc3c(c2)OCCO3)CC1 1359028562 WMKOYCDFBADUJN-UHFFFAOYSA-N 494.640 2.701 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1359045947 YUTXDKBEUZJACE-UHFFFAOYSA-N 499.681 2.838 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359061302 YDFMITVBLHNTBI-ICSRJNTNSA-N 459.591 2.520 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359082402 HUBNNUURGYYRNX-CXAGYDPISA-N 473.375 2.962 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)(=O)CC1 1359103809 SWKLCICSSUTDMK-SIKLNZKXSA-N 460.600 2.690 30 10 JFEE C=C(C)COCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359137599 UNVRLSXUEMWNNS-MBSDFSHPSA-N 465.595 2.626 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359144314 FDTRRQZGGOGVFO-UHFFFAOYSA-N 466.007 2.842 30 10 JFEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359213167 LWZNPKOCTKOKQU-HXUWFJFHSA-N 455.588 2.615 30 10 JFEE C=CCCOCCn1c(C(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1359222240 CPWHUOJYRARPSJ-QFIPXVFZSA-N 452.603 2.922 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1359272714 ZMJFGOBWMYNNGV-HXUWFJFHSA-N 452.584 2.787 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C)C1 1359327994 QESQYVCAXGERBD-HOTGVXAUSA-N 454.980 2.897 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1-n1cccn1 1359476566 GZRUUOAASMXREF-GOSISDBHSA-N 453.510 2.954 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2COC(=O)NC2CC2)cc1 1475974485 WVLZGWLYPYAVFO-GOSISDBHSA-N 450.561 2.768 30 10 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2.817 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1594455116 LWCWXKCXTFVJDS-ZDUSSCGKSA-N 465.542 2.838 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(NC(C)=O)nc1 1594895475 JRVRKETYJIVQOQ-UHFFFAOYSA-N 452.515 2.995 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595577640 ZHNXYZSKRGAPNN-NBGIEHNGSA-N 469.586 2.550 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@H]1CCCO1 1595602207 GONLDGYQCMVMQO-MSOLQXFVSA-N 462.595 2.658 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(Br)ccc(F)c3C2)c1 1624804713 KWZGKSDZUXHZGD-UHFFFAOYSA-N 451.317 2.698 30 10 JFEE C=CCOC[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)C(=O)OC 1626205151 XUYQSAIUYVHJMR-JKSUJKDBSA-N 455.939 2.860 30 10 JFEE C=C(CC)CNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1629923564 IAYHQKUIMGHVBI-UHFFFAOYSA-N 454.184 2.962 30 10 JFEE C#C[C@H]1CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)C1 1640186547 MAXHXSZOPBJDES-WMLDXEAASA-N 459.431 2.721 30 10 JFEE C=CCC[C@@H](NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 1662377768 DZDFCNJDGUMKEA-WMLDXEAASA-N 454.536 2.914 30 10 JFEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(S(=O)(=O)c1c(F)cc(C#N)cc1F)CCO2 1665899535 DQWJLGATHZEHPZ-UHFFFAOYSA-N 457.499 2.627 30 10 JFEE C#C[C@H](NC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1672809407 DTTJYVWWBRYKSP-HOTGVXAUSA-N 451.346 2.810 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689861477 VYGXUVIERYVCCC-OALUTQOASA-N 494.061 2.991 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2conc2COC)c1 1689870498 PZPMLBOFUOIZJE-UHFFFAOYSA-N 459.510 2.523 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1689984988 ZRTUNMBVMCGANL-LEWJYISDSA-N 468.579 2.731 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1689984989 ZRTUNMBVMCGANL-NHCUHLMSSA-N 468.579 2.731 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689986923 ZSGHDKOQJFCTAS-ZWKOTPCHSA-N 462.019 2.710 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCNC(=O)OC(C)(C)C 1690066993 QCYCXWLPFZELRJ-UHFFFAOYSA-N 465.562 2.685 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690150638 OVQLPYQXPZNDIE-UNMCSNQZSA-N 465.598 2.538 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1690190063 KEYRRHADGBTHBI-UZUQRXQVSA-N 469.615 2.629 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCCOC)CC1 1690250081 CVIWDRBGGRAISQ-IFMALSPDSA-N 473.643 2.891 30 10 JFEE C=C(C)COCCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1690320138 KVBZGVSBCGKIJN-VWLOTQADSA-N 470.618 2.935 30 10 JFEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690483460 PRRSIOJKHZUYPI-FQEVSTJZSA-N 452.607 2.771 30 10 JFEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1693875438 FZLKVLQJTWKKAQ-XWFZLUIHSA-N 495.502 2.816 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C1 1695412448 DEFZBFFKNAVPFA-NBGIEHNGSA-N 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C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740995539 PDGMPWUUPPUAKD-UECWXEIQSA-N 496.674 2.572 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C#N)cc1 1741876226 AKGUXCURYYYAOT-IBGZPJMESA-N 493.637 2.746 30 10 JFEE CC[C@@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1744848759 BICNILVRAUGXDH-GUDVDZBRSA-N 465.606 2.619 30 10 JFEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCCS(=O)(=O)Cc2ccccc2)cn1 1748008459 CZILRQZCGRJQHI-UHFFFAOYSA-N 467.599 2.814 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1748719077 UZOWEBLVSFCMJD-QFIPXVFZSA-N 470.639 2.805 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748810214 UDJBQAYNFFVXDE-GJZGRUSLSA-N 491.923 2.588 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748814606 HJYOGAWZNWKXTO-OFVILXPXSA-N 479.606 2.573 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748868995 POZYTOZSFBVVPX-LJQANCHMSA-N 490.427 2.595 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCOc2ncccc2F)CC1 1748977840 KJVNXNNPYQAVCP-GOSISDBHSA-N 468.508 2.926 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2NC(=O)CC2(C)C)CC1 1748983633 WLWLFJJLIHBLEH-GOSISDBHSA-N 489.393 2.517 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1749143161 DTKDWDADWODZCD-QZTJIDSGSA-N 464.611 2.956 30 10 JFEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749204512 IPUHQYBEMSQYTP-UHFFFAOYSA-N 451.568 2.823 30 10 JFEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749426527 DWMLKVIZYSXXME-GOSISDBHSA-N 467.636 2.982 30 10 JFEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1749499940 FYQSMFMJFIMRDP-IBGZPJMESA-N 464.526 2.615 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2cc3ccccc3[nH]2)nnc1[C@@]1(OC(C)C)CCOC1 1749682701 YQKXNEBABPJYAW-XMMPIXPASA-N 452.559 2.739 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749690889 WBVDMWWJJJWDFL-NRFANRHFSA-N 480.613 2.926 30 10 JFEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760158602 PRMKIMWRDAMTQK-QFIPXVFZSA-N 453.587 2.909 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1760189765 WPJCVHXDDGAPRL-GDBMZVCRSA-N 499.456 2.671 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760191060 ABLPDRAOGZVPDD-HSZRJFAPSA-N 483.682 2.812 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCC1 1760242029 RBWWQEGLOUCFAE-IBGZPJMESA-N 460.575 2.776 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1760253116 VOYNCUGXXNSDEF-OAQYLSRUSA-N 493.587 2.825 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2csc(-c3ccco3)n2)CC1 1760257121 OYOKWHNHHGJTHB-QGZVFWFLSA-N 456.572 2.522 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(C)CC2)CC1 1760266606 FZSNMJRAJLZLBS-UHFFFAOYSA-N 493.612 2.941 30 10 JFEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760276341 ZXZZWQQPWJTWJW-UHFFFAOYSA-N 496.681 2.782 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1760314199 USSPCUOJMPQDGH-FYYLOGMGSA-N 477.613 2.986 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C1CCCC1 1760321959 MEPRLYPFSKASLF-BVSLBCMMSA-N 495.690 2.997 30 10 JFEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1760365117 NSEHPSYJCHNYEH-ACRUOGEOSA-N 460.600 2.729 30 10 JFEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760406049 QFKFZIUUWZOGNR-IBGZPJMESA-N 475.615 2.550 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1760504906 FQSPAVXFMIGWML-WFXMLNOXSA-N 493.605 2.508 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1760519437 DBQCMMXTJIKTOR-UHFFFAOYSA-N 475.578 2.533 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760520550 RQQZLAXWCJJIFQ-UHFFFAOYSA-N 468.577 2.861 30 10 JFEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1c(F)cccc1Cl 1760521189 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DNYGMRNIPZIMJO-HNNXBMFYSA-N 454.335 2.823 30 10 JFEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2cccc(OC(C)C)c2)cc1 1858647645 IUSUTMOBNITLSE-JLHYYAGUSA-N 457.552 2.977 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)OCCCOC)cc21 1858708830 ZUDNUSSEHFNLCP-UHFFFAOYSA-N 455.467 2.840 30 10 JFEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1 1858982637 RCJHEWZSGPNKPX-UHFFFAOYSA-N 457.552 2.740 30 10 JFEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862632154 XSRPWVGCCZZWCP-UTKZUKDTSA-N 465.458 2.959 30 10 JFEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnnn1-c1ccc(OC)cc1 1868813890 IDCYXRKANICZBO-QFIPXVFZSA-N 463.513 2.957 30 10 JFEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)c1ccccc1I 1870140080 YTVCVMSSLZTRBR-UHFFFAOYSA-N 455.219 2.872 30 10 JFEE C=CCn1cc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)c(=O)cc1CSc1nnnn1C 1870244771 HNKAHOKPBRXBGU-UHFFFAOYSA-N 490.973 2.838 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)Nc2ccc(C)c(F)c2)nc1C 1872691367 BOIIUMLYKFFKFF-UHFFFAOYSA-N 475.458 2.895 30 10 JFEE CCCOc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1874273715 KDUKZVYKAPBIQN-UPVZUOOXSA-N 458.588 2.641 30 10 JFEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(=O)O)cc1 1874274948 PUKKSFOQIPPTKL-BIXBROTJSA-N 486.598 2.591 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1F 1874335764 XSYGMIYOQMEMMQ-KZKMUKRCSA-N 460.579 2.984 30 10 JFEE COCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874471395 SFQJLMDNMPOJPN-KEBDBYFISA-N 461.456 2.635 30 10 JFEE COc1cc(/C=N/n2c(C)nnc2SCC(=O)NCc2ccccc2)cc(OC)c1OC 1874533968 KUKLGWUQANLTMP-ZMOGYAJESA-N 455.540 2.903 30 10 JFEE C=CCC1(C(=O)N2CCC(CO)(CNC(=O)OC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 2138148956 UZYMWUDCPAPIFJ-UHFFFAOYSA-N 467.607 2.925 30 10 JFEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255800079 PHHKYAWQQDZFCN-UHFFFAOYSA-N 474.816 2.784 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CN(C(=O)OCc2ccccc2)C1 2255876377 MACRLPOAERJBQK-UHFFFAOYSA-N 467.375 2.806 30 10 JFEE Cc1c(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)ccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2256625416 WMAABBHERSPIFJ-OAHLLOKOSA-N 454.760 2.772 30 10 JFEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2256627666 WZYYMBNMPKNTNZ-MRXNPFEDSA-N 454.373 2.869 30 10 JFEE CS[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256679815 ZNQZTIJUVZXGML-CZUORRHYSA-N 451.398 2.964 30 10 JFEE COC[C@@]1(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267001746 PAXTTXPGZXMRTR-JOCHJYFZSA-N 466.409 2.803 30 10 JFEE CCn1cc(C(=O)N(C)[C@H](C)CN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267188765 QNZOFEDJYCXCFT-OAHLLOKOSA-N 450.389 2.530 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C 2267213976 KAIZRZLLNPCBTB-UHFFFAOYSA-N 457.327 2.697 30 10 JFEE CC1(CCNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN(C(=O)OC(C)(C)C)C1 2267369203 TWLDDTTUMWXCMN-UHFFFAOYSA-N 486.465 2.973 30 10 JFEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267376582 YEWBRVZJTJAKOO-AZUAARDMSA-N 474.457 2.942 30 10 JFEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)C[C@H]3CCCO3)c2)OC1(C)C 2267417991 ZYGQRRXNPIIOIC-HXUWFJFHSA-N 458.389 2.751 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267484113 DAACBVCDIQWMGT-LSDHHAIUSA-N 463.409 2.771 30 10 JFEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2267499833 ZOTBJLFOKFIXBX-UHFFFAOYSA-N 468.787 2.598 30 10 JFEE COCCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1CN(C(=O)OC(C)(C)C)C1 2267528914 VTGFWIWNKQJENG-UHFFFAOYSA-N 466.409 2.755 30 10 JFEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267718030 NAMOAAPEZZHFRR-KRWDZBQOSA-N 466.409 2.616 30 10 JFEE COC[C@H](COc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267821985 TWQBXPLUFMLCDQ-CQSZACIVSA-N 452.313 2.813 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268647954 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488.633 2.700 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1359304294 UEERAIIMUOXHOG-QHCPKHFHSA-N 472.597 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](OC)C1 1359329007 VHYZEPQFVRGJBL-DOTOQJQBSA-N 450.630 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359334528 IXGKTKHKUJWMKF-UHFFFAOYSA-N 489.642 2.784 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NC3(CC(=O)OC(C)(C)C)CCOCC3)ccc2c1=O 1450939972 FHSQVLLFQSUXBJ-UHFFFAOYSA-N 459.568 2.882 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Cl)cc3)C2)c1 1452613382 NMEQAWWZZVARHD-VQTJNVASSA-N 462.955 2.833 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4ncccc4OCC)CC3)ccc2c1=O 1471823303 UWZXXZUEOMPQCC-UHFFFAOYSA-N 451.552 2.627 30 10 JFEE COC(=O)C[C@]1(NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCCOC1 1473401832 DUBWTEDJZRLVJB-XMMPIXPASA-N 456.518 2.804 30 10 JFEE CCCN1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1501053574 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CO[C@@H]1C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2284021486 ZHWFSAJBJCLRAN-DOTOQJQBSA-N 461.368 2.591 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)ccc1O)C2 2288260621 KBKBIKUSVGRBAY-OYLFLEFRSA-N 458.364 2.678 30 10 JFEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2F)cc1F 2296622722 KIBDQQAOBQBVDD-OAQYLSRUSA-N 458.461 2.727 30 10 JFEE N#Cc1ccc(N2C[C@@H](C3CCN(C(=O)CCn4cccn4)CC3)[C@@H](C(N)=O)C2)cc1C(F)(F)F 2297650324 LHTHJQCUGJSRKI-PMACEKPBSA-N 488.514 2.640 30 10 JFEE COc1cc(NC(=O)CSc2n[nH]c(=NN=C(C)C=Cc3ccccc3)n2N)cc(OC)c1 2313707879 ONWRAQXNOHRDSZ-UHFFFAOYSA-N 467.555 2.663 30 10 JFEE COc1ccc2nc(C=Nn3c(SCC(=O)NC4CCCC4)nnc(C)c3=O)ccc2c1 2321655118 AGXYDFLNLXUFPX-UHFFFAOYSA-N 452.540 2.537 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306826 OXSXFXMSTAYEGP-QJCAQRTLSA-N 455.361 2.916 30 10 JFEE COc1cccc(C=C2Oc3c(CN4CCN(C(C)=O)CC4)c(O)cc(C)c3C2=O)c1OC 2324035595 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CCOc1ccc(NC(=O)COC(=O)C2CCN(/C=C\C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 96482198 BQCPMFCNNBARHX-YFHOEESVSA-N 473.404 2.832 30 10 JFEE C[C@@H]1Cc2ccccc2N1c1nc2c(c(=O)[nH]1)[C@@H](c1ccc3c(c1)OCCO3)[C@@H](C#N)C(=O)N2 101422847 NDSNMDZIYHUGSK-AUJRIZCKSA-N 455.474 2.848 30 10 JFEE C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 108988178 YXDQJNKEMFTGNJ-MRXNPFEDSA-N 477.590 2.847 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1Br 170195162 SCAGTQJKRFVWNI-SFHVURJKSA-N 460.328 2.993 30 10 JFEE CCOC(=O)C(=NNc1ccc(C(C)=O)cc1)C(=O)c1nn2c(nc(=O)c3ccccc32)s1 254795068 MIXDUAAYEDMBHL-UHFFFAOYSA-N 463.475 2.721 30 10 JFEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 254850244 ZJYDXWJCXYDZCA-QFIPXVFZSA-N 478.526 2.791 30 10 JFEE CCC(=O)N[C@H](CCSC)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 520500785 DNYVQHXDKFCGBU-MSOLQXFVSA-N 467.433 2.806 30 10 JFEE COc1ccc(C)cc1N1C(=O)C(Sc2nc(C)cc(C)c2C#N)=C(N(C)CCO)C1=O 526696082 NDTPFDNJFUHNHK-UHFFFAOYSA-N 452.536 2.688 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@](C)(COC)C(=O)O 757292033 AFKCBZFFIFIQLS-SQJMNOBHSA-N 450.491 2.523 30 10 JFEE CCC(=NNc1nnc(SCC(=O)Nc2ccc(OC)cc2OC)n1N)c1ccccc1 1084381667 OPUYIEYIGNSCQE-UHFFFAOYSA-N 455.544 2.966 30 10 JFEE CC(C)n1cc(C=NNc2nnc(SCC(=O)c3ccc(Br)cc3)n2N)cn1 1084591792 AMKOFSXNTOPESN-UHFFFAOYSA-N 463.365 2.953 30 10 JFEE C#CCOc1ccc(C=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Br 1084629538 WZYNUFKWEKCBIT-UHFFFAOYSA-N 450.314 2.732 30 10 JFEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CC2=O)cc1Cl 1124089351 FZBLYWPPAIEHIB-CTNGQTDRSA-N 452.942 2.582 30 10 JFEE C=CCc1cc(CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)cc(OC)c1OC 1186105894 JEGITKIWKSBGMK-LJAQVGFWSA-N 453.586 2.770 30 10 JFEE N#Cc1cc(Oc2ccc(NC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2)ccn1 1219007315 BVEXBWGDRSBKRE-NQIIRXRSSA-N 456.524 2.946 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286281427 GLCXGRRUOVTSLP-DNVCBOLYSA-N 467.492 2.683 30 10 JFEE 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30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN(C)c1ccccc1 1722693704 XXAHXWMLLCIBIA-UHFFFAOYSA-N 472.391 2.911 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722695010 PCGRWBMCEJBZMP-IBGZPJMESA-N 461.570 2.681 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1722701583 WAOHBESLZUZHAE-LADGPHEKSA-N 479.673 2.960 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](COCC)C1 1722724320 TVQMFLDMZUREBF-HNNXBMFYSA-N 486.436 2.889 30 10 JFEE CCN(CC)C(=O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)cc1 1728342783 DGFGTQPBPDBDFP-SFHVURJKSA-N 451.575 2.527 30 10 JFEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1729203856 HXFJZGGDCZNQIE-IBGZPJMESA-N 488.614 2.745 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCc2nccn2C1 1740608501 BMASCCAYLAJYPA-GOSISDBHSA-N 453.591 2.921 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740620013 BKSWCYCJBJTEET-HSZRJFAPSA-N 492.649 2.855 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C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOc2cc(C)cc(C)c2)CC1 1740706862 GHMGCWYTABZLOC-UHFFFAOYSA-N 472.593 2.926 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](COCC)C1 1740718544 QEWOZSJHXYMTNZ-LJQANCHMSA-N 455.632 2.681 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740749933 IHTLOBYPEQTSQD-YADHBBJMSA-N 496.612 2.856 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740755948 MPUHUMMKOIEJJC-LNLFQRSKSA-N 466.007 2.988 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740755949 MPUHUMMKOIEJJC-SCTDSRPQSA-N 466.007 2.988 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740783301 CYVWXTJCZMBLTC-UHFFFAOYSA-N 467.599 2.966 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1740942095 BOKGCSIFWLGNDU-NHCUHLMSSA-N 462.683 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1740991135 PCVNBIHZIVYVJB-HXUWFJFHSA-N 458.584 2.772 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30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCC2(F)F)CC1 1507725903 CMDBLDPQBCPDLQ-KRWDZBQOSA-N 462.570 2.850 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507796870 BOKXIIDWXSNSRG-SQNIBIBYSA-N 464.492 2.826 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(C)(C)C)CC1 1508074043 NQOPUTQUYKCPGL-UHFFFAOYSA-N 456.591 2.575 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508110054 XKSKJMLBDVGMKX-QFQXNSOFSA-N 483.613 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccon1 1508135917 PKEMWPHFVUENJU-UHFFFAOYSA-N 453.528 2.560 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508167709 OXFIKDSGSGYLMZ-HXUWFJFHSA-N 452.584 2.769 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(O)cc1 1510424624 BLCUWGDMHRAIKI-HNNXBMFYSA-N 453.572 2.896 30 10 JFEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1512549752 ACNMUDYUDXAIIZ-TZIWHRDSSA-N 495.628 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RMBNEAMOCSCKOM-RTWAWAEBSA-N 454.596 2.933 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCC[C@H]2C)CC1 1539462397 FVOLLMKRUNGSGD-HXUWFJFHSA-N 454.644 2.819 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1539573910 FZCWYVSRYXNTJV-CQSZACIVSA-N 479.404 2.838 30 10 JFEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539971490 IGIAZWHHYKWRQX-UHFFFAOYSA-N 479.629 2.561 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1540146934 GMVYOPQXNNRLFX-OAQYLSRUSA-N 494.644 2.503 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1540887126 QIYFNFBBUXQVAG-HKUYNNGSSA-N 476.599 2.568 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1541115519 AOXDARZJZRJWRV-JKSUJKDBSA-N 462.645 2.744 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCO[C@H](C)C2)C1 1547779953 HDEZZUCDAVQKLR-LVCYWYKZSA-N 472.615 2.540 30 10 JFEE CN(C)C(=O)[C@@H]1CN(C(=O)N(C)C)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548377098 SZYMZLFXYMASBS-SFHVURJKSA-N 451.493 2.865 30 10 JFEE C=CC1(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)CN(C(=O)OC(C)(C)C)C1 1567240016 OBAYDXNZVJLAHI-UHFFFAOYSA-N 451.545 2.684 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)N1CCOCC1 1587580937 SYHJOGGNNCTMDD-CQSZACIVSA-N 464.339 2.554 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2c(C)noc2C)c1 1587696985 GLEIZUXOUXSKKX-UHFFFAOYSA-N 455.522 2.973 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1588040101 IECNFIHGTQJZMM-FQEVSTJZSA-N 455.971 2.977 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588045513 MBRJMIJZOOOSQD-IRLDBZIGSA-N 455.628 2.692 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1588046193 ZKBPKXHDZDUPME-SFHVURJKSA-N 474.583 2.506 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588050940 YFSGBKFROHRZDC-HXUWFJFHSA-N 465.579 2.527 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N(C)C)CCCC1 1588093149 CWAPIZKZHSQWBD-UHFFFAOYSA-N 451.571 2.918 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc2c1OCO2 1588581457 RZWLTULXWAOWPJ-UHFFFAOYSA-N 458.316 2.899 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1588780788 WTWQQJVPOATYIK-AUSIDOKSSA-N 453.587 2.921 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCC(C)CC2)CC1 1588849019 VMARRDUZWMHZTK-UHFFFAOYSA-N 450.631 2.755 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1589124817 BTGZYUPPYLTMAM-FHWLQOOXSA-N 479.647 2.957 30 10 JFEE C#CCSCCn1c(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 1589125297 ISGQBZKYLGIPSG-XWTMOSNGSA-N 499.703 2.673 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 1589506666 ZLHXFJULFGZDQD-DNVCBOLYSA-N 476.375 2.634 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1593747482 XKQNFYWCZXALES-IFMALSPDSA-N 492.617 2.862 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1595537683 VZLLHCAXFVUKJE-GOSISDBHSA-N 463.586 2.850 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1595905071 CFDNQTIYSOLKKI-ZLGIVVLRSA-N 452.621 2.694 30 10 JFEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)CC1 1610991117 BLFQCELORZCIPI-UHFFFAOYSA-N 457.510 2.789 30 10 JFEE CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1613673464 FVQLVNJHJABHSJ-UHFFFAOYSA-N 465.602 2.540 30 10 JFEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)c1cccc(F)c1 1617641954 DIHOOXXALJWTQP-JXHRLWIKSA-N 474.606 2.752 30 10 JFEE C#CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cn1 1626740019 AITWYKJPAYSOJO-UHFFFAOYSA-N 454.939 2.851 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(OCC(F)F)n1 1628600151 HHRIJMFVIMEDCX-AWEZNQCLSA-N 452.483 2.962 30 10 JFEE C#C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 1628629251 ZRFGFYBQWDYNJS-HXUWFJFHSA-N 450.516 2.790 30 10 JFEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 1628900471 GQHUQFXCDDHSNC-LJQANCHMSA-N 451.470 2.986 30 10 JFEE C#CCC1(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 1652145395 WIQRNBHQOITKGG-UHFFFAOYSA-N 452.882 2.716 30 10 JFEE Cc1sc2nc(CN3CCN(C(=O)Nc4cc(C)n(CCC#N)n4)CC3)nc(O)c2c1C 1660339485 FKWMVUPXYMERDR-UHFFFAOYSA-N 454.560 2.782 30 10 JFEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(Cc4nccn4C(F)F)CC3)CC2)c1 1683702259 BBENSMSXZOFTDM-UHFFFAOYSA-N 457.529 2.642 30 10 JFEE C#CCN(C(=O)NCc1ncc2c(n1)CCOC2)[C@H]1CCOc2ccc(Br)cc21 1686966296 IABJBGSXPWWZBS-SFHVURJKSA-N 457.328 2.980 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1689960871 BJLUGLNMWYMHJK-WSTZPKSXSA-N 452.559 2.742 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1689997157 WTNCPIOIZKVNLF-GOSISDBHSA-N 460.600 2.929 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CC(OCC)C1 1690008745 NEDDSPFKIQZMGY-UHFFFAOYSA-N 461.335 2.850 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)ccc1OC(F)F 1690030256 QTUITTSOQUVQPH-UHFFFAOYSA-N 457.481 2.635 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690059844 ZCMBUTFXBVNBMG-SJORKVTESA-N 466.007 2.813 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1690101372 YLJDKSBHMIMVDR-WOJBJXKFSA-N 478.597 2.995 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccc(O)c2)CC1 1690124728 SEJYOKYYKLLSSU-OAQYLSRUSA-N 480.613 2.902 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690226035 VAKZRISMDGUYSX-UHFFFAOYSA-N 462.312 2.533 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 1690238483 KCVNZIUVGCMMGG-NQIIRXRSSA-N 489.642 2.681 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1690251392 UQLGYSNXNDQURK-MZKRTTBSSA-N 472.634 2.514 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690485254 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2.525 30 10 JFEE C#CC[C@H](NC(=O)[C@@H]1CO[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)O 757493443 PBIVHLJYTQVQRK-MFEFFIJZSA-N 462.502 2.523 30 10 JFEE CCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)s1 1084469374 NKHNDSDMNAGQHO-UHFFFAOYSA-N 495.572 2.949 30 10 JFEE COC(=O)COc1c(I)cc(C=NNCc2ccccc2OC)cc1OC 1084609303 AJMGQEPDLKHUMN-UHFFFAOYSA-N 484.290 2.984 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1c(CC)nn(C)c1OC 1127609637 BSVDWNMXISHBAF-UHFFFAOYSA-N 451.321 2.719 30 10 JFEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CCOCC1 1133710340 XJTCJAAJAANQOS-UHFFFAOYSA-N 455.374 2.536 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)c1 1147910113 KUGBJAUQQJENDZ-AWEZNQCLSA-N 451.342 2.558 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286291124 VWNDGYNHBGNTCY-JKSUJKDBSA-N 456.547 2.863 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286322766 GOMMIWRFBBJBPU-OALUTQOASA-N 473.647 2.513 30 10 JFEE 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10 JFEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1301194649 MTDJWNRJFBATPR-UHFFFAOYSA-N 454.550 2.858 30 10 JFEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1301339385 AOOYSCILUWJFSG-FQEVSTJZSA-N 452.559 2.604 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1301339779 SWJHMJPRTGXPTM-VXKWHMMOSA-N 468.627 2.729 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301479152 UYXYREXZBMGDHN-UHFFFAOYSA-N 497.600 2.507 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NC(C)(C)C)C1 1301557348 OIBOZIKIORAXKM-HXUWFJFHSA-N 482.633 2.538 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCOC1 1301593938 YDQHHUXQGDGEGB-IBGZPJMESA-N 462.616 2.981 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@H](C)C1 1301600818 JEDLRGBQPLGAGO-GOSISDBHSA-N 478.688 2.645 30 10 JFEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655962 MORULHOMTDOSEK-HXUWFJFHSA-N 454.571 2.795 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(C)O)C1CCN(CCn2cccn2)CC1 1314683256 HSLWQGXCHSMQSR-UHFFFAOYSA-N 462.602 2.775 30 10 JFEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1316537641 DZLRJPKAPIHNLJ-FQEVSTJZSA-N 484.409 2.932 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1358885231 FXVNDSMYQASXPK-QGZVFWFLSA-N 461.570 2.582 30 10 JFEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1358962200 MCUIRKAFCZLHLA-IBGZPJMESA-N 494.621 2.658 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358965691 ZGSVXTBFNVDTJN-QGZVFWFLSA-N 465.670 2.546 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1358998500 HOEAOSBKUHUGSH-FQEVSTJZSA-N 451.575 2.903 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359030228 QWXZYJBHARTJHM-FYYLOGMGSA-N 484.620 2.669 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccc(C)nc2)CC1 1359047320 BIOLLBGULUVYJM-UHFFFAOYSA-N 488.592 2.973 30 10 JFEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359049797 WMOWDEKHMOBYNH-FQEVSTJZSA-N 461.657 2.704 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 1359099196 LBFSELHFECQMDE-MLYOOKFZSA-N 495.671 2.851 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1359113849 RQQFNCULRNSQDL-VGOFRKELSA-N 467.636 2.857 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCSC)CC1 1359179435 VGRMVWLNRCYKKU-SFHVURJKSA-N 457.666 2.547 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1)C1CC1 1359246557 FFKNSWMJPCCLPN-QGZVFWFLSA-N 476.672 2.645 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359295982 STCNLEDTNAJDIB-QMHKHESXSA-N 475.977 2.684 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1359296709 RDDVQHKJLYXKNF-SFHVURJKSA-N 468.602 2.635 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C2CC2)C1 1359314859 JCKVMOHUCYBNJL-PXNSSMCTSA-N 459.616 2.613 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1359319216 VCOSIPNOQJEMNX-RBUKOAKNSA-N 457.579 2.859 30 10 JFEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359761476 ICHZBAMBAMCNEV-YUXAGFNASA-N 486.642 2.738 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1360602278 AAFBAGGOTJQOIZ-LPHOPBHVSA-N 464.492 2.553 30 10 JFEE CCOC(=O)c1c(NC(=O)CN2CCO[C@H](C#N)C2)sc(C(=O)Nc2ccccc2)c1C 1459451654 FMOKASFRTVCUHY-MRXNPFEDSA-N 456.524 2.648 30 10 JFEE COC(=O)CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Br)c1 1460048559 FRZORFXRRUPRFP-UHFFFAOYSA-N 451.342 2.770 30 10 JFEE C=CCOc1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1OC 1467774447 XXOMKVWWUWJCTR-HXUWFJFHSA-N 456.514 2.847 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H](OC)C1CC1 1497036412 BWBJEOVUDOBDCA-QFIPXVFZSA-N 483.592 2.959 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1501792761 DRTRQEWERGIWCQ-UHFFFAOYSA-N 482.633 2.653 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)C1 1502468609 BRFQAONMDBWHDX-WIYYLYMNSA-N 460.629 2.620 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCSC2)cc(OC)c1OC 1504077902 DMIUERIWLREHDU-NVXWUHKLSA-N 459.572 2.843 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC[S@](=O)C(C)(C)C)c1 1507549643 JRMUHRSFVFIHOI-YTTGMZPUSA-N 452.584 2.877 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1507610209 JLLFRBWOECWYGC-YLJYHZDGSA-N 477.573 2.636 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1507629301 LYKJDJIXYGGELE-SIKLNZKXSA-N 499.040 2.923 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1507629771 PUUFZOBHKHQVKV-QFIPXVFZSA-N 466.611 2.781 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507634451 KKGVAFAHLZIJFW-GOTSBHOMSA-N 469.655 2.723 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)c(OC)c1Cl)[C@H]1CCS(=O)(=O)C1 1507635929 WHTZLZJXUCZWJZ-SFHVURJKSA-N 493.029 2.771 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(-n2cncn2)nc1 1507654405 DWISRJRFQMFCOD-UHFFFAOYSA-N 458.913 2.607 30 10 JFEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507694722 QYLZOSORNDLKEE-RBBKRZOGSA-N 471.627 2.829 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nnc(C(C)(C)C)s1 1507709142 QLRSZLBYMFGMEM-UHFFFAOYSA-N 468.583 3.000 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)CCOC)CC1 1507721347 RVYXBFSUFWBWID-JOCHJYFZSA-N 476.419 2.559 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1507742505 KJDSKYVMURNUHR-FCHUYYIVSA-N 492.668 2.964 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OCC)CC1 1507939948 UNXDDBQKRSMBGW-UHFFFAOYSA-N 475.619 2.791 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1508041432 BDSTZWIVHXRNOQ-IBGZPJMESA-N 497.662 2.814 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1508159454 UXNOCYXRENKLNX-UHFFFAOYSA-N 460.629 2.644 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2Cc2ccc(C)n(C)c2=O)c1 1539040294 QACMKIFGTAOVSP-UHFFFAOYSA-N 470.533 2.958 30 10 JFEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539081508 BMATWSPMEZPLKZ-NRFANRHFSA-N 468.577 2.543 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1539323715 JUVDUIMZNRJMLU-LJQANCHMSA-N 491.658 2.727 30 10 JFEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539514223 XAQSNJSPDLXCCG-UHFFFAOYSA-N 464.599 2.530 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539519835 KMPBXOZZMLZYQO-IBGZPJMESA-N 488.621 2.621 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1539603753 XIUXWNFZOPGSSO-UHFFFAOYSA-N 460.423 2.556 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1539939523 HRXNNORNCDUJKI-LEWJYISDSA-N 459.616 2.961 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1540004697 DSVXBNNOQVFFML-SFHVURJKSA-N 483.635 2.566 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540860046 GFABMAKTMFTGMF-UHFFFAOYSA-N 458.994 2.831 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(N(C)C(C)=O)CC1 1540864917 OWKPEQZZAZDVTF-INIZCTEOSA-N 470.643 2.881 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1540895213 NGJJXSBPYAVYQL-RTBURBONSA-N 474.606 2.581 30 10 JFEE C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1540925522 VUQTUXDDXLDRSN-QDIWCGRASA-N 462.554 2.848 30 10 JFEE C#Cc1ccccc1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1545842698 FKZBSIOBYMQSKH-UGKGYDQZSA-N 453.583 2.965 30 10 JFEE CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1552794509 FSIZGOQBFSHMNL-VFNWGFHPSA-N 457.535 2.607 30 10 JFEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCN(C(C)C)CC2)cc1OC 1554841784 DYAHZFKTGMVGHD-UHFFFAOYSA-N 468.602 2.938 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 1556361156 NPPIZULVFSZDIT-SFHVURJKSA-N 451.589 2.916 30 10 JFEE CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O 1559457109 AJJZEACYOKNDRZ-UHFFFAOYSA-N 450.417 2.625 30 10 JFEE C#CC[C@H]1CCN(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1564700412 HFAQUIXPXRAQAQ-RDJZCZTQSA-N 454.390 2.657 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1587620840 LJUTWKYNDXLVIP-IBGZPJMESA-N 477.613 2.634 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCCC2)c1 1587689938 TXRLRZZEKUPJGF-MHZLTWQESA-N 494.640 2.861 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588059297 LIRJWZSBCBXGFW-ZRCGQRJVSA-N 487.645 2.755 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588193655 IARCUOZDBUZRPO-UHFFFAOYSA-N 465.554 2.710 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1588400162 XGDBLSLAJSDOCN-RTBURBONSA-N 469.590 2.820 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2oc(CC)nc2C)CC1 1588961729 KFQORPGNXPHGDD-UHFFFAOYSA-N 492.580 2.739 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1588984983 NEDDVNMTXHMYQZ-KGLIPLIRSA-N 457.572 2.730 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 1589295172 DKELISYNVQWDIJ-RDJZCZTQSA-N 468.421 2.866 30 10 JFEE C=C(C)C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCC 1589370796 GEXSLQYNOYUYBL-MRXNPFEDSA-N 457.568 2.762 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1589494181 KPBFTGOXIYITAP-LPHOPBHVSA-N 477.407 2.696 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1589505485 MJYWJJOHSPABIM-OFNKIYASSA-N 453.587 2.959 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1593650222 PSLXCNBTTJRJAY-UHFFFAOYSA-N 465.558 2.511 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1593757862 PGBRNFWCXNUJAY-SIKLNZKXSA-N 472.659 2.512 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCCC2=O)CC1 1594167713 HADBMDWIZVAIOY-UHFFFAOYSA-N 450.587 2.989 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1594448561 IOAZIPKXYGHMFC-INIZCTEOSA-N 452.519 2.797 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595452774 AIFWYJPFLDEQAB-GOSISDBHSA-N 456.616 2.508 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1595516979 MHYKXPHHOTUCCK-UHFFFAOYSA-N 489.605 2.888 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)(F)C(F)F)[C@H](C)C1 1596249657 GSKOFMACTWHUJE-OAHLLOKOSA-N 498.481 2.703 30 10 JFEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(CCC#N)c2ccc(C)cc2)c1 1603045054 GIZNLDAQIMEXNB-UHFFFAOYSA-N 456.568 2.702 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCN1CC(F)(F)F 1612908829 BTEKESULZZQCHI-MRXNPFEDSA-N 496.559 2.714 30 10 JFEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(N(C)C)CCOCC2)cc1OC 1616350331 IAYSWYHHZDRZSD-QHCPKHFHSA-N 472.565 2.905 30 10 JFEE C=CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CC1 1632868288 IXIKXLUYPLHCCA-UHFFFAOYSA-N 456.406 2.614 30 10 JFEE C=CC1(CC(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)CN(C(=O)OC(C)(C)C)C1 1653254412 NUZRMDIERYFCLE-MSOLQXFVSA-N 453.543 2.919 30 10 JFEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2Br)C1=O 1663628360 YWKZTXBAFGQHBB-GFCCVEGCSA-N 452.168 2.619 30 10 JFEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1665048745 BAUGBSKBBAHQRR-KRWDZBQOSA-N 452.577 2.716 30 10 JFEE CS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)cc1C(F)(F)F 1668896562 BQXFSTHPWXQAJB-UHFFFAOYSA-N 454.398 2.737 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1673398879 RHUPYMRSSCKDQO-CRAIPNDOSA-N 452.577 2.870 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N(CCc2ccccn2)Cc2cccnc2)C1 1681433050 BPKFXWRYNLEWNC-CTNGQTDRSA-N 450.543 2.990 30 10 JFEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689880050 PSWSTMVMHQRMQL-UHFFFAOYSA-N 460.560 2.517 30 10 JFEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1689997125 WJMFRBJMLVBRSW-INIZCTEOSA-N 465.373 2.581 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(CS(C)(=O)=O)CC1 1690001519 LMLIQSIJTSMZDE-KRWDZBQOSA-N 460.987 2.969 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2ccsc2)nc1 1690032642 GNVPNSPBEWWBQD-QGZVFWFLSA-N 468.608 2.523 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)c(O)c1 1690077539 QUZCNKZDNGQEOF-SFHVURJKSA-N 471.558 2.809 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cc(C)on2)CC1 1690117760 UNFXMAIIGMJYSD-UHFFFAOYSA-N 450.543 2.841 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)CC1 1690124468 LZIRLSHLVPVIRT-LJQANCHMSA-N 460.623 2.778 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1690124992 YGMDGVZLXXKDBN-RTBURBONSA-N 499.534 2.557 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1690193055 HDBFJPMAGBPXAL-FTJBHMTQSA-N 465.598 2.969 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690230337 ZLDVWUUWQLGJJC-GFCCVEGCSA-N 463.348 2.925 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690422688 WTLQOPHAKJCPIP-INIZCTEOSA-N 462.576 2.926 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2cccc(Br)c2C1 1690672758 CCFFAJDLQVKVOY-UHFFFAOYSA-N 467.371 2.891 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690676971 JSQXQSRQPAHSTK-MRXNPFEDSA-N 471.505 2.649 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)cc2)C1 1690686319 MATWPOYOIQQHGJ-QAPCUYQASA-N 453.996 2.566 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1690688003 MHOCHPGOUNAADG-CRAIPNDOSA-N 481.416 2.924 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCN1CCOCC1(C)C 1698049026 GIKMPEBGZOJTPU-UHFFFAOYSA-N 475.597 2.976 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1705486055 VVAOFFCWHITFJZ-WDWGUKLMSA-N 499.369 2.701 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(F)(F)Br)CC1 1705634477 XTFAWAYBAWNOHP-UHFFFAOYSA-N 455.263 2.596 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCOCC)CC1 1705637634 GBLKDAPQJULMAQ-UHFFFAOYSA-N 460.582 2.867 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705652411 YIINQWLWEHPXEY-QHCPKHFHSA-N 459.591 2.800 30 10 JFEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705726732 BZIIQTCVLUDWDP-HXUWFJFHSA-N 459.616 2.652 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1705806098 WRFJCUDAUZONRX-QRVBRYPASA-N 465.595 2.793 30 10 JFEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705817974 XNPJLGAGOIYPHY-AKHDSKFASA-N 495.646 2.612 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1705820029 ZEALFDLROHHMPG-KQWPWLJJSA-N 495.671 2.512 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1705929600 TZTBEQBXHDASNO-QFIPXVFZSA-N 472.609 2.804 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1705944112 VKTLWUAJPVOGPL-QGZVFWFLSA-N 481.626 2.686 30 10 JFEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1708599507 CRWCRBYXPOBCNY-JOCHJYFZSA-N 492.672 2.682 30 10 JFEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1OC(F)F 1711810347 GYNIIFIZDMUITB-QFIPXVFZSA-N 478.475 2.809 30 10 JFEE COc1ccc(CCn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)c(Cl)c1OC 1711811230 AWMXHLAHTVHCQF-MRXNPFEDSA-N 454.918 2.982 30 10 JFEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C[C@H](C)O1 1712283012 CIDWNJQJDSEPJI-MAUKXSAKSA-N 452.481 2.551 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@@H](O)C2)c1 1722306706 NKDJVCAVFWQCTI-ADGBJGEGSA-N 481.597 2.609 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(COCC)cc2)CC1 1722439813 QKQWHLADGMUUKF-UHFFFAOYSA-N 450.612 2.974 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCCN2CCCC[C@@H]2C)CC1 1722445087 LGBQONHHTTYGSV-NRFANRHFSA-N 463.630 2.961 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1722446092 MJVVNIQLRVSEOW-UHFFFAOYSA-N 469.471 2.768 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[S@](=O)C(C)(C)C)CC1 1722449121 GUQRODQYTCBCEL-XIFFEERXSA-N 469.655 2.576 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1CCO[C@H](C)C1 1722450185 ZREGQMGXNYHUMJ-QZTJIDSGSA-N 450.543 2.885 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(COCCOC)cc1 1722464398 FAOUZXMUNWLFHU-RUZDIDTESA-N 451.571 2.718 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1722693634 VOGHIFRSEVFIHA-AZUAARDMSA-N 486.642 2.514 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COc3ccccc3O2)C1 1722708802 DFZOMQZSDZDMIB-RTBURBONSA-N 455.559 2.818 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccccc1Cl 1723611933 GKAIJCAGEKLOFJ-UHFFFAOYSA-N 464.961 2.711 30 10 JFEE COc1ccccc1OC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1730313476 FLGBASCGEWHVNG-HXOBKFHXSA-N 456.522 2.680 30 10 JFEE C[C@H]1CN(C2CCOCC2)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1731153832 ACBZZUMUABQASB-IBGZPJMESA-N 479.629 2.811 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1740627323 GKAPEIXDNYLVPO-IBGZPJMESA-N 481.603 2.774 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1740627945 UGTOGTJDECPERY-QFIPXVFZSA-N 466.611 2.532 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCn2ccnc2C1 1740637797 HZQCHTDYPNFVDO-HXUWFJFHSA-N 477.613 2.925 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1740641987 ITSQULAZQXRPMB-VWLOTQADSA-N 454.578 2.719 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCc1nnc(C)s1 1740679187 OZCJPNSZBJQFCA-UHFFFAOYSA-N 453.547 2.582 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1 1740787411 HWWKXMGSKBGPEZ-KRWDZBQOSA-N 457.666 2.737 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC 1740921425 UBQHGCIVYLQUHW-IBGZPJMESA-N 451.568 2.743 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740956439 RWJFRUXOMLPWNM-NRFANRHFSA-N 467.492 2.786 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(Cl)s1 1740963647 RWMWGPQZWUKAML-UHFFFAOYSA-N 465.004 2.923 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740989311 IQWHZCSDSZVKCM-IBGZPJMESA-N 461.607 2.997 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740990022 GFSBRNIHNNLBOK-GOSISDBHSA-N 484.626 2.912 30 10 JFEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1746288812 FEYWNXJMTNZZDB-QFIPXVFZSA-N 468.602 2.845 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCCC1=O 1748637838 GTLMQOLZBMOWSJ-GOSISDBHSA-N 457.538 2.554 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1748717625 DYYGDQNGJZQACG-IFMALSPDSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748819067 JWAZKGRDJLSNTC-SFHVURJKSA-N 473.599 2.756 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1748825439 YWANRASQQCOESK-LJQANCHMSA-N 485.997 2.889 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C)cc1N1CCOCC1 1748962327 FBKWJMDQWPLUPD-QHCPKHFHSA-N 453.587 2.799 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(N(C)C)CCSC2)CC1 1748984214 JHLOGRHKLHKBSA-QFIPXVFZSA-N 489.487 2.900 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)CC1 1749001014 DVVUFWCINLNRRV-OYRHEFFESA-N 480.613 2.752 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN(C)[C@@H](C)CC)CC1 1749009523 CGAXCDCKVWLBQY-IBGZPJMESA-N 452.603 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)c2cccs2)CC1 1749011140 VZRCKFKJJNYPIF-VWLOTQADSA-N 479.606 2.889 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnn(CC)c2)CC1 1749018803 FWXBAEUSSICVER-UHFFFAOYSA-N 475.597 2.704 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749174410 OOANRLDYPRRDKK-MRXNPFEDSA-N 451.568 2.899 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1749546840 FTWBTPYHNVTFGI-HXUWFJFHSA-N 491.633 2.623 30 10 JFEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749613748 HOXUTXOMNAARAF-UHFFFAOYSA-N 460.423 2.815 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749655716 QCHRNIAQXHUCEA-KRWDZBQOSA-N 487.406 2.993 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749678165 XZUDIFRTLBWZMN-APWZRJJASA-N 490.402 2.927 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1749687776 ZZFPOTHNVOREAW-QGZVFWFLSA-N 458.588 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1749731731 JFGDDOIZGFQQOW-QFIPXVFZSA-N 487.670 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 1749735428 SHRDRUXGBALBSX-RBUKOAKNSA-N 473.647 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749735897 CSPAAAJXCHOAAH-FQEVSTJZSA-N 462.591 2.740 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1750058416 BXYAYSTWYQAAIB-JKSUJKDBSA-N 456.551 2.682 30 10 JFEE N#Cc1ccc(CN2CCCN(c3nnc(-c4ccccn4)n3CC(=O)NCC(F)(F)F)CC2)cc1 1750383737 AIPXWGQUDWMWGG-UHFFFAOYSA-N 498.513 2.603 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCC(O)CC2)cc1C 1751537741 FOBRFMQIUFBENK-QGZVFWFLSA-N 453.591 2.590 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760101846 WAHRWAVDDYJMLS-UKRRQHHQSA-N 473.350 2.977 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760183297 AFUVXKZANRMSNN-CYFREDJKSA-N 467.595 2.527 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1760190846 VBQYDNIXZUPJIK-RBUKOAKNSA-N 460.575 2.854 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1760209006 RJOCFJNJJZIMJX-LJQANCHMSA-N 479.585 2.938 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOc2ccccc21 1760219546 HNDCYROIQNXZJD-WOJBJXKFSA-N 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CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2319385709 NHDWBSKLRRUXBO-HXUWFJFHSA-N 462.612 2.609 30 10 JFEE CCCOc1c(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cccc1OC 2322660031 WOGFLGNOOBNRTP-CQSZACIVSA-N 499.387 2.609 30 10 JFEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2OC)cc1 2328565542 JXGJQSOEJMHTQQ-UHFFFAOYSA-N 455.540 2.744 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2339379243 HALBGIXUVVOPCV-YOEHRIQHSA-N 467.803 2.746 30 10 JFEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2342698433 KPKAQBZKFVHQAU-UHFFFAOYSA-N 452.332 2.683 30 10 JFEE CC1(C)OB(c2csc(CN3CCO[C@@H]4CCN(Cc5ccccc5)C[C@H]43)n2)OC1(C)C 2342922213 RFVXHVKZLJNENO-WOJBJXKFSA-N 455.433 2.918 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2362356620 IFSALBUABGLPAC-BGYRXZFFSA-N 450.392 2.598 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 2362461419 KEYHLUPGXQAUHG-WKILWMFISA-N 462.400 2.533 30 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DIHWUFHWFQKZKZ-HWCXCKHPSA-N 457.502 2.931 30 10 JFEE CCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)c1 111831436 BSPAXFJSARPSCS-UFTUAFODSA-N 452.507 2.988 30 10 JFEE COc1ccc(C=NNc2nc(Nc3cccc([N+](=O)[O-])c3)nc(N3CCOCC3)n2)cc1OC 254516701 ZGANVTASYIVIQX-UHFFFAOYSA-N 480.485 2.823 30 10 JFEE C=CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1nc(C(=O)OCC)cs1 501956474 WNZIRSKYAZAQTE-OAHLLOKOSA-N 469.519 2.928 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 608930658 DCYAVGGZLUYMLM-UHFFFAOYSA-N 467.469 2.923 30 10 JFEE C=CCN(C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 919989197 JDQDXDNSSGFRDF-AUFJSOOLSA-N 460.577 2.915 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c1 1157286091 HBLUJHHYVYZZBC-LPTQZCDUSA-N 464.971 2.725 30 10 JFEE N#Cc1cccc(CNC(=O)CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 1168939529 AHFYCRILRRDTNX-NRFANRHFSA-N 452.356 2.819 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c1 1211993041 JUNBZPOIJGIJAL-QGZVFWFLSA-N 457.321 2.516 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286390704 BDWBDCUGGQNFTI-BDTNDASRSA-N 477.675 2.657 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccncc1Cl 1286420465 GVLPTVYKAUQLSG-UHFFFAOYSA-N 453.955 2.908 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1286460289 DCPAREPAKNPDHJ-UHFFFAOYSA-N 492.647 2.945 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](OC)C(C)(C)C)CC1 1286494864 UUFXKBMIEJYNMC-LJQANCHMSA-N 458.632 2.661 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286553347 PSZUAQKWWLEKAO-DENIHFKCSA-N 489.642 2.843 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1286790715 JTFYUZOUHIDCIB-DXIQSLLYSA-N 496.612 2.614 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C 1286799735 ZIEONUMVVMAORZ-UHFFFAOYSA-N 461.632 2.954 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=C)Cl)C1 1286803439 HTWINDANLOVWJC-KRWDZBQOSA-N 451.980 2.729 30 10 JFEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCS1 1287276760 BNHORGUCSAUOGC-ICSRJNTNSA-N 474.656 2.676 30 10 JFEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1294308148 HWEXEVSFGFHTGO-DEOSSOPVSA-N 492.672 2.729 30 10 JFEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CCC1 1296259070 FWSRFGDBWXFXFN-LJQANCHMSA-N 450.543 2.513 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CCOC1 1296603928 ASSHVVVBPYVBAB-NLSFWIRASA-N 478.569 2.772 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCc1nc2c(s1)CCCC2 1298741867 BZYLRKCQEDYBGY-UHFFFAOYSA-N 499.666 2.770 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300339875 SFTTVGKCQRCJLY-FQEVSTJZSA-N 471.005 2.970 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 1300364200 IYOFGSDMHUEVBF-OALUTQOASA-N 484.605 2.860 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1300481654 BLGWQTOOTBGFCW-KRWDZBQOSA-N 480.537 2.634 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300481685 BOQPTQQGXPKJNC-PZJWPPBQSA-N 454.552 2.861 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300501896 OFSPHAGXHJJSDZ-FCHUYYIVSA-N 456.612 2.649 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1300505144 YCFKJJRBWRJVNI-YDIMBITNSA-N 490.601 2.971 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1300521279 NMZFMRXSEURVKU-HSZRJFAPSA-N 456.015 2.879 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCS(=O)(=O)NC 1300601026 DGUXYSQBBLHINV-INIZCTEOSA-N 453.996 2.697 30 10 JFEE CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1300744233 GGCPSBZJZNBZEK-NFBKMPQASA-N 466.586 2.991 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1300764293 VZGKUVKVUVZJGO-HXUWFJFHSA-N 471.602 2.569 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1300780994 ZZVOPCYUXFKIGZ-YVEFUNNKSA-N 472.434 2.753 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1300894467 CERLXBPUZOSXMU-PLWAMTLXSA-N 475.615 2.956 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Cl)cn1 1301339587 QPJHPSIZKQVXHU-IBGZPJMESA-N 450.934 2.844 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1301402850 IUVNSDDGNUGETQ-CTNGQTDRSA-N 457.600 2.519 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)nc1 1301773659 HDKPEIOSZIDDQO-UHFFFAOYSA-N 469.553 2.769 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@@H](C(F)(F)F)O1 1305205078 GCEFOKWBIVRBKQ-CFLQYTFWSA-N 483.516 2.753 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCS(=O)(=O)C1 1305522029 GZWPYEQCKNNBKI-FUHWJXTLSA-N 460.579 2.564 30 10 JFEE CCOc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1OC(F)F 1314207705 BRCLUXGWZTXSQF-JOCHJYFZSA-N 478.475 2.891 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cccs1 1358875089 IWCRSEOANKBRFV-ZDUSSCGKSA-N 461.389 2.996 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC(O)CC1 1358897204 VKGAYGFSBBPTCW-FQEVSTJZSA-N 461.614 2.603 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1358959813 QIBXJMAHULARCR-PKOBYXMFSA-N 460.625 2.724 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964312 XGUJTTYAMZDCDD-IRFCIJBXSA-N 450.649 2.945 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2cn[nH]c2)CC1 1359030975 LWYPFRVQXADXML-UHFFFAOYSA-N 458.339 2.568 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cccnc2OCCC)CC1 1359039774 VFPVDNZFFIIRDB-UHFFFAOYSA-N 464.545 2.984 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359062439 IFNPEOHUBJCSSS-QKNQBKEWSA-N 494.669 2.940 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1359070088 FDAPUNUZVJMGDM-ZWCUEREDSA-N 477.656 2.543 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1359095185 LGQIQCKWBIBWOS-HTAPYJJXSA-N 490.626 2.957 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359103316 MQWQCZCXSGPTQS-FIXSFTCYSA-N 471.650 2.668 30 10 JFEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1359116212 BZJWVZLDWNAABH-OAQYLSRUSA-N 466.629 2.531 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1359256555 JOEHGMWGABWPEJ-UHFFFAOYSA-N 471.627 2.871 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359286723 NZENQNJCXBFUHP-IBGZPJMESA-N 465.602 2.798 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCC1CCOCC1 1359299209 YQZWDEVFKRTRRW-UHFFFAOYSA-N 493.612 2.791 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncccc2N(C)C)C1 1359313769 RATWAGLRGRPGPK-DVECYGJZSA-N 456.591 2.609 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1360218204 CERWMQVMYDXNAT-HXOBKFHXSA-N 459.595 2.946 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(COC(C)(C)C)c1 1360671051 BTQIDPRJJOIMLS-KRWDZBQOSA-N 474.631 2.992 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c1 1447328229 DUMYPBLLHQCDTB-LPHOPBHVSA-N 451.589 2.916 30 10 JFEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCn2ncc(I)c2C1 1460823122 GRRSFZDESFABBC-CYBMUJFWSA-N 456.353 2.968 30 10 JFEE C=CC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1 1467602105 RTWWHMDOQBCLIB-HNNXBMFYSA-N 453.358 2.941 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@]2(O)CCO[C@@H]2C)c1 1507552428 OPAVVDAOMFXGKM-MZNJEOGPSA-N 465.579 2.527 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 1507623180 PMMIUMHBKBVENA-RXVVDRJESA-N 469.611 2.593 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507717022 XTCSUIOKHKTFGM-HSZRJFAPSA-N 498.075 2.737 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507941138 BWMQCKRZFMDEIY-UHFFFAOYSA-N 477.594 2.908 30 10 JFEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508051788 YXBQRGDIXAXNOX-LJQANCHMSA-N 475.615 2.931 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(C#N)cc1 1508072540 IVNQDXIIABLJHT-UHFFFAOYSA-N 468.359 2.856 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)CC1 1508140331 MSWLGEDTRHGQTF-SFHVURJKSA-N 484.626 2.902 30 10 JFEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1509520835 ASAPEKHNRNTVQU-IBGZPJMESA-N 470.585 2.534 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1)N1CCOCC1 1513286657 FLHGFLNKEKBBHK-XMMPIXPASA-N 479.629 2.622 30 10 JFEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1513441344 IDKPSGWBEXJVOW-XLIONFOSSA-N 457.542 2.619 30 10 JFEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1515635715 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COc1ccc(OC)c([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296099133 RXSWIUPXVGKECY-HSZRJFAPSA-N 484.524 2.987 30 10 JFEE COc1ccccc1[C@@H]1C(=C(O)c2ccc(F)cc2)C(=O)C(=O)N1CCCN1CCOCC1 2296139146 WIJWAVNNJQGNOX-JOCHJYFZSA-N 454.498 2.978 30 10 JFEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C[C@H](O)C#Cc2cccc(Br)c2)C1 2296225606 WXSAUDVFOZOTFG-SJORKVTESA-N 458.374 2.586 30 10 JFEE CCN(CC)C(=O)CSc1nnc(C)n1N=Cc1cc(Br)c(O)c(OC)c1 2321068522 PFYIDPMFJUUKJC-UHFFFAOYSA-N 456.366 2.906 30 10 JFEE Cc1c(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2325026269 LGQJAGBUNKFHHV-UHFFFAOYSA-N 465.487 2.671 30 10 JFEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccccn1 2325881271 YMOVNKQIEIMMND-KRWDZBQOSA-N 493.593 2.703 30 10 JFEE CCc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1 2326315451 ZFZHUMMCBPJGCE-UHFFFAOYSA-N 455.540 2.723 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337402502 ZUMYAYRLYJCAFL-JLCFBVMHSA-N 463.409 2.962 30 10 JFEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343823735 WEFVHNYBGOZXDA-AWEZNQCLSA-N 487.859 2.772 30 10 JFEE CC[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)CCN1C(=O)OC(C)(C)C 2362335600 MGQVEFVWFUGTJD-HOTGVXAUSA-N 462.400 2.546 30 10 JFEE Cc1cc(CNCCn2cnc(I)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369698092 YMEXXGAUOQTXJM-UHFFFAOYSA-N 467.160 2.885 30 10 JFEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c(O)c1 21325877 ORBMZEIRIAKBFP-MMDHUZEPSA-N 482.614 2.959 30 10 JFEE Cc1c(/C=C2\SC(=S)N(C)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 33458887 SDRCHHIHYOFCET-UNOMPAQXSA-N 483.594 2.862 30 10 JFEE C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C2=C1CN(CC(=O)N1CCOCC1)C2=O 35969690 ACNYHLVRFWYSTM-RUZDIDTESA-N 488.544 2.686 30 10 JFEE COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](c2ccc4c(c2)OCCCO4)[C@H](C#N)C(=O)N3)cc1 72461446 DGIMLVXLFKCYAI-QFBILLFUSA-N 459.462 2.907 30 10 JFEE C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cccc(OC)c21 254601699 SUSKEPZMURYZNI-IAGOWNOFSA-N 499.614 2.884 30 10 JFEE N#C[C@]1(N)CCC[C@H](Cn2cnc(I)c2I)C1 403986040 IDMHDKSDDJSGEE-KWQFWETISA-N 456.069 2.504 30 10 JFEE C[C@H]1Oc2ccc(-c3csc(=NC[C@@H]4CCCO4)n3N=Cc3cnn(C)c3)cc2NC1=O 727972297 QVBUCEXIVRKOHJ-PBHICJAKSA-N 452.540 2.631 30 10 JFEE C=CCN(CCO)C(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757343685 YMGMOTIESRRVDS-QFIPXVFZSA-N 452.507 2.765 30 10 JFEE C=CCN(CC(=O)O)C(=O)[C@H]1OCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757462706 KICRDFYMQOOJDS-GMAHTHKFSA-N 450.491 2.782 30 10 JFEE C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 856693492 FFWNECVONJELIH-DLBZAZTESA-N 455.536 2.792 30 10 JFEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=C(C)c3ccc(N)cc3)n1)CC2 1083971231 LGRMFCFHRNHEFK-UHFFFAOYSA-N 481.582 2.917 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)COC)c1 1136987905 KQIWMKUHWQGUBF-NRFANRHFSA-N 452.960 2.849 30 10 JFEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc21 1186868201 YIQMAGAQKBEIQJ-GHTZIAJQSA-N 452.580 2.945 30 10 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1617592833 CFDDOWHSIJSNSF-OAQYLSRUSA-N 464.526 2.768 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 1618070885 GNCTUJOHSSCMCM-IBGZPJMESA-N 456.568 2.933 30 10 JFEE Cc1sc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1-c1ccccc1 1618107071 FBNSPXYSMOYYQB-UHFFFAOYSA-N 454.577 2.906 30 10 JFEE C=CCSc1ccccc1NC(=O)Cn1c(Br)nc2c1c(O)nc(=O)n2C 1641354949 YZPGUPCTTTXFKN-UHFFFAOYSA-N 450.318 2.515 30 10 JFEE C#CCC1(NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CCOCC1 1645729327 DFPZTZMOTBPBOH-UHFFFAOYSA-N 456.520 2.561 30 10 JFEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1Cl 1653467043 DKJLRUXZFYJSON-UHFFFAOYSA-N 452.920 2.605 30 10 JFEE CN(Cc1ccccc1Br)C(=O)CCNS(=O)(=O)c1ccccc1CC#N 1654130703 CXZBMNNTDYUDIK-UHFFFAOYSA-N 450.358 2.842 30 10 JFEE Cn1cc(CNc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(-c2ccc(C#N)cc2)n1 1656382402 FLDXVWWGUVCICM-UHFFFAOYSA-N 455.515 2.731 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC)C(=O)NCc2cccs2)cc1 1658321643 XTXQQBJAMNFXAC-GOSISDBHSA-N 450.586 2.771 30 10 JFEE C#C[C@H](NC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1672809406 DTTJYVWWBRYKSP-CVEARBPZSA-N 451.346 2.810 30 10 JFEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1 1674652126 DTLDUOWNJZLIMD-UHFFFAOYSA-N 453.493 2.973 30 10 JFEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1684832635 HEZSTWFVZMNDHQ-FQEVSTJZSA-N 457.582 2.969 30 10 JFEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1689930715 XXTZETRKTYDOCT-NRFANRHFSA-N 450.587 2.573 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1ccccc1)N(C)C 1689959733 LKOSQHSQHCXDFA-HXUWFJFHSA-N 451.600 2.611 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1689960890 CAHYSGFADQFSQL-IBGZPJMESA-N 464.570 2.749 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689981865 CLTSIRYGAOSPFT-AUUYWEPGSA-N 499.456 2.965 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1689982823 VLQNVOLBJRCPRK-IBGZPJMESA-N 466.592 2.565 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690031477 LWFPYBMQXLAUOU-BKMJKUGQSA-N 461.566 2.948 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCN1CCSCC1 1690099003 ZHEOGMAIXXSQOA-UHFFFAOYSA-N 464.433 2.842 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690111460 CCALPDUWEXIILX-FGZHOGPDSA-N 484.620 2.669 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690112239 SBOUFUWXVSFUSW-YLJYHZDGSA-N 471.005 2.741 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1690141716 APDLPLCUYTUPJM-QHCPKHFHSA-N 475.572 2.748 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN(C)C2CCCCC2)CC1 1690142379 MSSNHIXGNKQIJX-UHFFFAOYSA-N 465.646 2.904 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1nncn1C 1690160052 VNXFLQMVXLLEFN-LJQANCHMSA-N 453.572 2.799 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690229635 AHDLSNIIIGAXEB-WBMJQRKESA-N 468.302 2.990 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1690265389 NUFINGHBRYPYSV-LJQANCHMSA-N 475.615 2.584 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690307316 WPIHTOJNCOPQOS-XXBNENTESA-N 470.593 2.666 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnn(C)c2)CC1 1690332456 AJSSIESTMIRWMO-UHFFFAOYSA-N 451.760 2.848 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1690365937 LJVVKIAAKORDKC-XMMPIXPASA-N 455.559 2.612 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690367455 PJEVOHKXYMJRRP-UYAOXDASSA-N 459.616 2.903 30 10 JFEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1690481818 QLIFEDQGQMMWPB-BGYRXZFFSA-N 452.559 2.881 30 10 JFEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690636160 JRRMFGZKGJMRFL-SFHVURJKSA-N 468.602 2.718 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1690673059 MYOQWMLPCIHXPZ-HXUWFJFHSA-N 497.397 2.907 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 1690679251 OVEXLZODYUCONM-UHFFFAOYSA-N 463.586 2.986 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690715241 GWDNQJZUOYINQB-BSRJHKFKSA-N 494.589 2.542 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COC(C)(C)C)c1 1692759742 GDNIHZAGJDZWNE-DLBZAZTESA-N 462.620 2.990 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)C1 1697048519 FNJOMUSPSYKOIT-FQEVSTJZSA-N 450.543 2.609 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1705478927 HBZHFJIKIZJQIQ-YCRNBWNJSA-N 459.616 2.523 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccco1 1705492364 POOZZRRKGNWKPJ-MSOLQXFVSA-N 470.574 2.874 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CN2CCOCC2)c1 1705500045 FFMPQNDJWFBTTJ-LJQANCHMSA-N 478.622 2.608 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2n[nH]c(C)n2)c1 1705508174 RFXATCKEOQDMJF-NFBKMPQASA-N 490.612 2.922 30 10 JFEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705535199 DTFYPDRWDIIWRG-QHCPKHFHSA-N 450.631 2.896 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705561991 WWAYBUHQBLOGHB-RDPSFJRHSA-N 474.627 2.768 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1705566327 MOFGTKPYNOPPIY-OAQYLSRUSA-N 458.632 2.772 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1705569726 GDRXKMLDTMCEMR-LJQANCHMSA-N 471.558 2.542 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705569996 LTVZWRDJCCMOSH-JOCHJYFZSA-N 470.639 2.913 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705571948 MHGNJMDAMIGEQB-VAMGGRTRSA-N 478.659 2.640 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1cccnc1-n1cccn1 1705602118 JIQZEJMIOSNSCW-UHFFFAOYSA-N 467.533 2.958 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1705620081 LBHWNJFGYAABNV-JPYJTQIMSA-N 488.610 2.928 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705630000 CBIASTJRICENSG-UHFFFAOYSA-N 484.914 2.680 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705679145 CJVGQJZGZYGBMB-MRXNPFEDSA-N 467.412 2.696 30 10 JFEE C=C(Br)Cn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705692720 QTADYEQCXYXBIH-OAQYLSRUSA-N 482.423 2.676 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1705698413 UGJBASHXQZGUGB-URXFXBBRSA-N 452.603 2.945 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705710190 VSMVBKAWGOGHKC-UWJYYQICSA-N 496.033 2.573 30 10 JFEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705737010 HZOXHOYCVCHGKH-UGKGYDQZSA-N 455.559 2.688 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705755224 OPSGRAGGPAUVHW-SJORKVTESA-N 483.013 2.834 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1705884722 WRZZUAQKNDLJPO-BBWFWOEESA-N 495.568 2.543 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1705884875 ZNJWUCATTMHHPW-ZDUSSCGKSA-N 479.550 2.537 30 10 JFEE C=CCNC(=O)Cn1c(N(C)CCOC(C)(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908038 GACQEMLLIMCYBH-CALCHBBNSA-N 464.611 2.602 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C1 1705925137 LMYFZXSEQJOKHN-VQTJNVASSA-N 486.621 2.856 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705942681 ADFCYMQECPFHPF-UHFFFAOYSA-N 465.583 2.801 30 10 JFEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1709148098 BUZVTYKSRBSLRP-UHFFFAOYSA-N 465.602 2.901 30 10 JFEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCn1cc(Br)cn1 1710732349 CEYXVXCGUYMYSY-UHFFFAOYSA-N 485.390 2.672 30 10 JFEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC2(C)C)C1 1712427049 CPRUMNAEIUCJJQ-NHCUHLMSSA-N 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2.836 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722491468 LIBDEVXCCHCWRR-RECSWBGYSA-N 487.576 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1722510886 XOLDFINKSVLMBE-KNKQGSTJSA-N 490.626 2.815 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722530259 PSXWKOOCKYEMNT-UHFFFAOYSA-N 460.586 2.855 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722588282 OYDCGFDKUWRUAP-JOCHJYFZSA-N 482.654 2.976 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722685762 INCITUOCYHDJQM-IBGZPJMESA-N 487.605 2.700 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1722705207 AEUMINYTVZHENA-HXUWFJFHSA-N 482.610 2.719 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1722793799 ICSIYECXTFJXLT-UHFFFAOYSA-N 485.470 2.859 30 10 JFEE C[C@@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1726546404 AHHPKXFOWIZWNL-QGZVFWFLSA-N 475.519 2.902 30 10 JFEE CCc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)s1 1727400443 FFBRRUFLEZGPOO-UHFFFAOYSA-N 450.568 2.784 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1727927950 FZYGDFSHVRWBTQ-IBGZPJMESA-N 477.613 2.818 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC(F)(F)F)cc2)CCOC1 1728815458 FKZGKPGFURUQLA-PXNSSMCTSA-N 467.448 2.606 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC#N)CC1 1729213006 HIONTPUBEBWVDV-UHFFFAOYSA-N 460.604 2.755 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1740537481 VDCJLUGXKISUOX-MHECFPHRSA-N 471.627 2.628 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCSC(F)(F)F)c1 1740563651 WHYCZYRCXMUBOK-UHFFFAOYSA-N 463.489 2.988 30 10 JFEE C#CCCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740597728 YAYIGONOXWLJEQ-OTWHNJEPSA-N 479.647 2.866 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1740617047 KUOBMBCREWPDHL-VQIMIIECSA-N 489.001 2.664 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN1CCCC1 1740664647 YAZQCAIJKPERBC-UHFFFAOYSA-N 472.659 2.777 30 10 JFEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1740717456 SKGBYOORIOAGHA-LJQANCHMSA-N 453.678 2.674 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740749693 CHSVFZCHVBJAPM-BBWFWOEESA-N 470.412 2.652 30 10 JFEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740796281 ATCIABWGUCYZSQ-SFHVURJKSA-N 466.007 2.768 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(F)cccc2F)CC1 1740838893 AZEDVSNFNIKDKH-FQEVSTJZSA-N 481.569 2.534 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1740913268 BHPMBLQGDRDKEK-OAQYLSRUSA-N 468.602 2.541 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740964719 SXVBSFPKFVQCQA-UHFFFAOYSA-N 465.558 2.717 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)C(=O)OC(C)(C)C)C1 1740972949 PEAQGTTXQVTGKZ-MBSDFSHPSA-N 465.595 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cc(C)cs1 1740987444 HLGUVPLKFGWKLG-UHFFFAOYSA-N 494.664 2.956 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1740989438 MYJAKZAGEQKHHP-JOCHJYFZSA-N 466.611 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740993778 IORJXBGFDWNBIP-LJQANCHMSA-N 478.590 2.850 30 10 JFEE Cc1ccccc1C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1742374520 DSQXXZODLXXNID-HKUYNNGSSA-N 474.631 2.541 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1745191527 FWZGKFDKZDAUAQ-MJGOQNOKSA-N 462.558 2.616 30 10 JFEE CCCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O 1745750810 BDJWQSPIXZGPCT-UHFFFAOYSA-N 490.612 2.967 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(CCN(C)C)CC1 1748672328 SCKPNBYEYKAJQY-XXBNENTESA-N 452.603 2.522 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C)n(C)c1=O 1748949967 JSRLIBYLEKAZRE-UHFFFAOYSA-N 470.371 2.849 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[S@](=O)C(C)(C)C)CC1 1748999719 CQRHJAXHKVECOU-XIFFEERXSA-N 473.643 2.558 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1749010140 OCFWHLUJIIEFKM-OAQYLSRUSA-N 481.597 2.594 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Br)c1 1749038323 JXIUDSZNKHJLEP-MRXNPFEDSA-N 483.457 2.946 30 10 JFEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749042918 BBXANIGSWBNQBE-UHFFFAOYSA-N 476.606 2.623 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749366384 DKSSEMMNKAIBLS-FBAVSBLXSA-N 452.621 2.555 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1749531523 JDLNAMNGTCRQDF-MQFAKOPTSA-N 487.651 2.546 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1749557815 MRVXIJVLOKAELM-QFIPXVFZSA-N 468.627 2.750 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1749671766 IGZGCBAGXYYFCZ-UHFFFAOYSA-N 472.565 2.804 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1749683256 NLGDDKMKFMCXOW-YDHSSHFGSA-N 485.560 2.543 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1749683297 OTAVSAZAPBCWNB-FIXSFTCYSA-N 478.597 2.635 30 10 JFEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749690357 WEJOMBACIMGQNI-HXUWFJFHSA-N 452.603 2.587 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749690633 ZPNXHTKDHRRUCV-HXUWFJFHSA-N 453.568 2.500 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1749726807 FQJZMNVAIOEHEI-KRWDZBQOSA-N 476.006 2.842 30 10 JFEE CC(C)NC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1750992672 HSGLQOUYKFCNQU-UHFFFAOYSA-N 476.585 2.891 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1760135435 VVVRQKKLTYHQPJ-SFHVURJKSA-N 462.554 2.868 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1760182046 AYLLVHAFVDCCNR-PMACEKPBSA-N 476.693 2.983 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760189257 SYBVYTQUIWSTSD-IFMALSPDSA-N 499.637 2.586 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189896 RAJMXWMQPJHMSR-IBGZPJMESA-N 453.593 2.759 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1760233767 DWLUJXWXCQAPBB-LJQANCHMSA-N 479.647 2.677 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(Br)cc2)CC1 1760252860 XJHOXTILWAYIKG-UHFFFAOYSA-N 487.446 2.957 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2([S@@](C)=O)CC2)CC1 1760261218 MKWDJIOOPQYJQI-MGBGTMOVSA-N 469.655 2.955 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760261958 FHTLTFYIPGCQMK-GOSISDBHSA-N 456.566 2.676 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCCOC2)CC1 1760273540 XRQRJSZHWOQVCH-IBGZPJMESA-N 483.638 2.971 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1760316475 SJGOBALYTCCWON-DIJFTKHXSA-N 493.630 2.950 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760326024 UYRZIICQBLVAIO-WIYYLYMNSA-N 451.637 2.510 30 10 JFEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760342356 IGRGZDTVNYACQM-UHFFFAOYSA-N 493.381 2.997 30 10 JFEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)NC(C)C)CC1 1760388563 REXKNIHRKWLISG-UHFFFAOYSA-N 455.588 2.615 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1760494470 OTAVGLUPUTYITL-LJQANCHMSA-N 461.570 2.629 30 10 JFEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1760510335 RJNUBYJVMQUHBW-NVXWUHKLSA-N 467.389 2.707 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)C(C)C)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1760531499 QURCOKUXWZRWHY-SANMLTNESA-N 483.613 2.848 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnn(C)c2C)C1 1760547172 FVLUKAVBCIYSHW-YZGWKJHDSA-N 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C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCS1(=O)=O 1300654036 RKFKDWFVZVPESG-YLJYHZDGSA-N 464.563 2.611 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(F)(F)F 1300663741 IDCHUIXLCXPHPG-UHFFFAOYSA-N 462.476 2.867 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)C(C)(C)C 1300673504 MWBZSGSRUWZWNX-UHFFFAOYSA-N 453.008 2.822 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1300733622 YNJRVUPQZGDXIX-YKSBVNFPSA-N 471.989 2.657 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861390 IFADKECYLCVOHU-HRAATJIYSA-N 482.423 2.722 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1300896726 IYMJETQRXAGXBP-YOEKFXIASA-N 496.674 2.703 30 10 JFEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1301047866 PJWOFGUJGSHOOA-UHFFFAOYSA-N 459.041 2.685 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cccc(C)c23)C1 1301540003 YOHMJMLVSPTBSM-MJGOQNOKSA-N 472.615 2.702 30 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478.640 2.732 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N(CCS(C)(=O)=O)C1CC1 1507787212 GLZNKQBEWKNNPJ-UHFFFAOYSA-N 469.405 2.800 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507802881 ACTBMMZZCVJGFZ-ZRXZBVFWSA-N 470.570 2.507 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(OC)ccc1Br 1507824190 UGCJOZNWUAVCEF-ZDUSSCGKSA-N 472.409 2.872 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507858938 UMJQSBMRNSSQJU-UHFFFAOYSA-N 451.358 2.821 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1507934652 ITXMCXHTGDMKMH-SFHVURJKSA-N 455.588 2.754 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1507955048 VETDMBUAASPMGL-QZTJIDSGSA-N 463.579 2.942 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1507973110 SGOQBNWTYWTLOW-OAQYLSRUSA-N 485.610 2.946 30 10 JFEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1508051505 FEZSHCALZLMCOK-IBGZPJMESA-N 470.599 2.556 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1508074162 QUYRSRVBYUOYOS-DBVUQKKJSA-N 457.600 2.666 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1508140229 LDMXWGGKQYYLIZ-UHFFFAOYSA-N 468.505 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1508143925 PRZMZTSHUBFPAE-GASCZTMLSA-N 487.598 2.598 30 10 JFEE Cc1nc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1-c1c(Cl)cccc1Cl 1517926994 AIIHRCUBFVWQNF-LBPRGKRZSA-N 457.325 2.895 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC2(N3CCOCC3)CC2)c1 1539037236 CRNACWXSZFKNBT-LJQANCHMSA-N 450.587 2.713 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)c1 1539038554 RQDHEOHJRKYRGI-OAQYLSRUSA-N 460.586 2.860 30 10 JFEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(S(C)(=O)=O)CC1 1539053657 XCYHBDCISUFDDM-HXUWFJFHSA-N 459.616 2.920 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C(=O)NCC#C)CC1 1539134254 URAPIPWHFJRLJW-UHFFFAOYSA-N 484.398 2.999 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1539301225 NDPDAOQPENQJIH-HXUWFJFHSA-N 479.581 2.692 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)c(OC)c1OC 1539315433 MKCJBEDQKIDZOK-UHFFFAOYSA-N 491.548 2.737 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)c(F)c1 1539363237 OFJRDVLWUWFSRK-UHFFFAOYSA-N 469.590 2.951 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)n1 1539391200 AUDIONUJOKKYHZ-HXUWFJFHSA-N 467.570 2.905 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCOCC1 1539391896 JKDNREQCRQYXMW-RRPUWOKSSA-N 471.577 2.502 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)C)C1 1539399656 OSQKJSYKZLJTQG-FQEVSTJZSA-N 473.643 2.555 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)cc1N1CCOCC1 1539420867 LCFROIQJZJCKFF-UHFFFAOYSA-N 480.638 2.913 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(N(C)C)c2)CC1 1539481878 PIISRMUAMJIUIG-JOCHJYFZSA-N 450.587 2.600 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539499667 NXYACJICTLXTQL-JOCHJYFZSA-N 467.555 2.705 30 10 JFEE C#CCSCCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539530265 DKQNGZNMZYWQDA-XMMPIXPASA-N 475.659 2.526 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1539556116 KGZNMCYSQZUVKM-GAJHUEQPSA-N 454.579 2.562 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1539985594 LUFCZCYNSLOWJZ-IBGZPJMESA-N 486.642 2.657 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1540005143 JRMFKBDENTZNKT-MSOLQXFVSA-N 477.635 2.536 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC)C1CC1 1540110036 YBFSLWQRPNJTJP-MYGHRHJXSA-N 453.609 2.510 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1540129103 RUNMLKBXPIZMAL-YADHBBJMSA-N 468.627 2.586 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1540200802 IMLKJGGDENOBPZ-PZJWPPBQSA-N 455.607 2.642 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1540876305 NFPIBTBESRGTPO-QKNQBKEWSA-N 488.677 2.878 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540897842 UCEAEDHTDKTJMC-GOSISDBHSA-N 451.637 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1540901869 RUXWSRSMRBOLRA-UHFFFAOYSA-N 478.018 2.762 30 10 JFEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1540907321 SHHGQIYXEVPCMA-UHFFFAOYSA-N 485.532 2.657 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540920498 XLNJZUCVWAPHIO-JOCHJYFZSA-N 477.656 2.963 30 10 JFEE CCCC(O)(CCC)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1546923654 FPDIQNGAEVKOOY-UHFFFAOYSA-N 463.590 2.603 30 10 JFEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)c4ccsc4C#N)CC[C@@H]32)CC1 1557020022 HKSFOPXJXHVXSQ-SJORKVTESA-N 459.572 2.628 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(CC)C(C)=O)nc1 1584303156 DTTJFRBWCGSASW-SFHVURJKSA-N 457.556 2.690 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1587818220 SOBVNBDOCSDTBU-XDHUDOTRSA-N 456.543 2.769 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588045038 FYJPUUBLVKHAKD-FGZHOGPDSA-N 465.579 2.745 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(C(N)=O)nc1 1588162096 IXOGMRWCLJAIEO-UHFFFAOYSA-N 456.550 2.770 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)OC(C)(C)C)CC1 1588762828 MXRKWEVDXZQQFL-UHFFFAOYSA-N 492.422 2.706 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCc2ccccc2)CC1 1589109523 DKPIFEVLLRIJLZ-UHFFFAOYSA-N 463.655 2.871 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1589150672 IORZOTHMFDZNPC-RZPFDVGOSA-N 467.614 2.895 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1589495769 TWMPGCJPMXLZSL-VBQJREDUSA-N 486.436 2.886 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1594455299 NTJHCPBRPWMISQ-LJQANCHMSA-N 488.658 2.761 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1595108773 KLNDNAPXONDLFJ-LJQANCHMSA-N 480.535 2.872 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1595475449 CNLSKMVIULIFGQ-NHCUHLMSSA-N 498.628 2.852 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)C1 1595743776 GBQTVICZONKUAS-INIZCTEOSA-N 473.883 2.970 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595777896 TZNYJJCBAVCQAI-IBGZPJMESA-N 487.605 2.810 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1595784310 DCPVWMUGHFPPSB-VQIMIIECSA-N 459.597 2.969 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(F)cc(C)c3C2)nnc1[C@@]1(OCC)CCOC1 1595831587 SZWPIIBTUNVUBH-HSZRJFAPSA-N 478.590 2.541 30 10 JFEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1598158571 HZPBAPDNUFVVGE-QGZVFWFLSA-N 493.534 2.574 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2CCN2CCSCC2)cc1C 1612104440 GPXMMRKGJYQAEW-UHFFFAOYSA-N 453.616 2.936 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1snnc1C 1613597295 GIJHMVIKQXZEGW-IBGZPJMESA-N 480.598 2.854 30 10 JFEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1cccs1 1617632523 GGDDWWDATCXLPJ-OALUTQOASA-N 470.624 2.804 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 1618408526 HPXCCWVJTWTRJI-AWEZNQCLSA-N 455.943 2.723 30 10 JFEE Cn1nnc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC(CC#N)CC2)n1 1618493333 ARUQGCRCFRMSQO-UHFFFAOYSA-N 460.315 2.549 30 10 JFEE C#CCN(CC#CC)C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1618790780 JUUCPMNUGXMPDS-HXUWFJFHSA-N 450.564 2.598 30 10 JFEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1620152225 CKRHLDYUUAYTOD-LEWJYISDSA-N 471.583 2.825 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)c1 1640631996 POOYXGOTPMVHHF-LEWJYISDSA-N 454.548 2.898 30 10 JFEE C#CC[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 1642509652 GOJUPMYBFVBYRL-PWHSHALESA-N 455.580 2.777 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(F)c(N4C(=O)CCC4=O)c3)ccc2c1=O 1651006043 RQYYGJSRFNLXIS-UHFFFAOYSA-N 452.467 2.916 30 10 JFEE Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4c(C)cc(F)cc4C#N)CC3)n2)cc1 1659412295 GTJFAAKSMLOQTA-UHFFFAOYSA-N 455.515 2.871 30 10 JFEE CC#CC[C@H](CO)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 1673607258 OOIHCXUWWFIUOW-QGZVFWFLSA-N 453.495 2.570 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC(C)(C)C)c1 1689873435 IPGOUSNKTNIPSH-UHFFFAOYSA-N 490.612 2.501 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1689990484 PCKANUCGVVYIJJ-QZTJIDSGSA-N 498.049 2.772 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 1690109521 VAOOTRSHFYJFPA-JAXLGGSGSA-N 497.644 2.826 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCNC(=O)OC(C)(C)C)CC1 1690119325 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KXHWOJFNMXCGHH-QGZVFWFLSA-N 451.600 2.969 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1690675708 CHGYCVOLYQWBKE-LEWJYISDSA-N 464.570 2.674 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1705561823 WQEJSOICDPJTCH-STQMWFEESA-N 461.535 2.942 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1705605129 BOXJFHOEXNPSFI-RLWLMLJZSA-N 467.614 2.659 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1705607253 WYTYLNTXQARMTD-FPOVZHCZSA-N 459.616 2.716 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1705616325 CSVVDEADJYSEOR-XMMPIXPASA-N 455.628 2.833 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2c(C)nn(C)c2C)CC1 1705643926 VMKWMYQGRPGYPB-NRFANRHFSA-N 482.633 2.504 30 10 JFEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CCOC)CC(C)C 1705682601 FRQDNJDSYBMECD-UHFFFAOYSA-N 461.368 2.938 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1705698367 SMUIBAQQKRDOTE-YYDVJCTNSA-N 487.576 2.833 30 10 JFEE C=C(Cl)Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705760144 BEZNRJSUVNSCKN-IYBDPMFKSA-N 452.987 2.893 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705895436 HDUHWZAYPOGEPD-INIZCTEOSA-N 487.402 2.505 30 10 JFEE C[C@H]1COCCN1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1708263756 AZYDPJNMTQJUMT-UGKGYDQZSA-N 468.602 2.604 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722357873 ARMGYBSSTGVGCM-CEXWTWQISA-N 493.674 2.848 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722360951 CUUKUUQIYABIOE-GOSISDBHSA-N 486.619 2.893 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1722363188 RIQMYTBBRDHIRA-UXHICEINSA-N 455.609 2.729 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722363735 BMHXGUANRXOUFR-VQTJNVASSA-N 475.684 2.678 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCC(OC)CC2)CCCC1 1722387832 ZGWYGODMMNWILV-UHFFFAOYSA-N 494.665 2.766 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1722390353 QEVHZORKSFHEMJ-NRFANRHFSA-N 481.000 2.583 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1(N2CCCC2)CCOCC1 1722396142 DEQYBMSATOQWLR-UHFFFAOYSA-N 461.610 2.985 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722465421 LWOXGSZZEYWVIX-QHCPKHFHSA-N 455.584 2.871 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1722523945 BZKRHCZRPITMAX-GOSISDBHSA-N 463.579 2.548 30 10 JFEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722605591 MHDXQJPTKBQBPV-LJQANCHMSA-N 452.559 2.707 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722693093 CZQUBYMQIDBBHG-HNNXBMFYSA-N 487.358 2.614 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 1722698684 KGKFVLXOMDJYFR-LJQANCHMSA-N 488.564 2.664 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC(C)(C)C)C1 1722714392 HNUMGLPMZPKUSV-SFHVURJKSA-N 455.559 2.802 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(OC)CCOC2)C1 1722724646 BZMOQTJDHXTRBI-LFALDJFMSA-N 477.606 2.636 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1722727267 JVYUKKVYXVDYND-KRWDZBQOSA-N 469.489 2.795 30 10 JFEE CN(CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1)CC(F)(F)F 1729536278 DGUHWSOPZYPIHJ-UHFFFAOYSA-N 484.530 2.956 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1740535188 OAXVFAYSBYPLQL-MZLICYQSSA-N 473.643 2.912 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnn(C)c2)CC1 1740565499 BGHWHMFARQXLHC-UHFFFAOYSA-N 457.380 2.899 30 10 JFEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740588289 OMPKBUJXZSNBDL-UHFFFAOYSA-N 459.598 2.897 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1740621236 UZJSIDFIEDPVEH-YADARESESA-N 490.626 2.529 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)C(C)C 1740635072 KYLPBMZCWUZEAO-UHFFFAOYSA-N 458.360 2.561 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740658045 BGGBUYPBIUCESN-NRFANRHFSA-N 491.514 2.592 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1740659306 UDHZHEGAIRVQBD-OAQYLSRUSA-N 461.545 2.862 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)C 1740677128 GLZGDKCLSALBRF-UHFFFAOYSA-N 459.323 2.903 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cc(C(F)(F)F)ccn2)CC1 1740690377 SOVJEIOYZGXKTJ-UHFFFAOYSA-N 477.535 2.608 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)c2cccs2)CC1 1740700004 BVYMTMNGHUVXOG-QHCPKHFHSA-N 455.559 2.721 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cnn(CC(C)C)c2C)CC1 1740704538 POUQIKNZMSZVQO-UHFFFAOYSA-N 474.613 2.824 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1740704581 TWKOTZWIZROGQI-SFTDATJTSA-N 478.641 2.799 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2ccccc2C)CC1 1740705003 AHORHHRUOSFGJY-RBBKRZOGSA-N 465.598 2.914 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCCC2)CC1 1740707562 HKGJGCAHGJPXES-FQEVSTJZSA-N 482.604 2.694 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740743869 HJJDKUVUGWIUDK-QGZVFWFLSA-N 456.429 2.875 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740761347 WFKLGRCJPMDUOM-WMZHIEFXSA-N 491.633 2.849 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(C(F)(F)F)c2)CC1 1740832834 JBDCFMCIYZTZFV-CYBMUJFWSA-N 458.510 2.753 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740876747 LYZCSVJLOHTVJP-CPJSRVTESA-N 490.649 2.854 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1740951562 IJODVSUPAYVEOD-QGZVFWFLSA-N 468.945 2.751 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1740960053 JXUNJFSBSBQNKU-PMACEKPBSA-N 484.674 2.865 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(OC(C)(C)C)CC1 1740964523 QCYZABCJRZFWTH-UHFFFAOYSA-N 457.575 2.952 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCSC2(CCOCC2)C1 1740987889 NXQQOANRVLMAJE-UHFFFAOYSA-N 478.640 2.657 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740993135 TVIXDTIWUOTUSE-HXUWFJFHSA-N 462.591 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740994172 NOTLMQYSTMOAIS-WOJBJXKFSA-N 464.563 2.745 30 10 JFEE CC[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1744152755 CRUWAEWDTRZJNK-PKOBYXMFSA-N 480.573 2.549 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(COC)CCC2)CC1 1747435376 HRXCMQFZGNQRIL-UHFFFAOYSA-N 486.642 2.932 30 10 JFEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1748330030 DNCILDLKNSIDNM-UHFFFAOYSA-N 463.542 2.783 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2cccnc2)c1 1748694964 VYPLEOZWPDQTCT-UHFFFAOYSA-N 468.565 2.834 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1748734302 AWJMTUUFTQAXPI-UHFFFAOYSA-N 478.500 2.998 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1748774972 ATZNKJHYVNURHJ-ZPHPHTNESA-N 489.761 2.957 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1748821217 NKOIZZAHXONFLW-SFHVURJKSA-N 456.593 2.636 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748882686 BURDYHOZCVTSIA-JAXLGGSGSA-N 478.597 2.771 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC2(O)CCOCC2)CC1 1748983488 QCHYKLURPBPZNR-UHFFFAOYSA-N 464.397 2.939 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1748993630 FZZCSVUXFYHQRU-UHFFFAOYSA-N 491.543 2.882 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cc(F)cc(F)c2)CC1 1748994663 MALLOJHHLLUFFK-UHFFFAOYSA-N 470.549 2.546 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCCC(C)(C)C2)CC1 1748999466 WZLRDYWJXINGNO-UHFFFAOYSA-N 466.630 2.743 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749090521 OZDMXCDDGICEPK-ZIAGYGMSSA-N 450.249 2.876 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749214502 YWMHPFXNNSOIOA-GOSISDBHSA-N 479.423 2.929 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749220466 INVUHRHHZOYFMA-QFIPXVFZSA-N 486.636 2.908 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1749457778 QKFOOBKAPWYPMW-OAQYLSRUSA-N 474.627 2.649 30 10 JFEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1749583227 XUMMKQRZGHJTCO-HXUWFJFHSA-N 469.032 2.952 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCNC(=O)c2cc[nH]n2)C1 1749695779 JHKWNOYJQQNCEK-CYBMUJFWSA-N 492.403 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H]1C 1749721479 LAYDWRABTHGHHZ-JKSUJKDBSA-N 466.007 2.697 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1749730490 GEGHTHQZROSYSO-HSZRJFAPSA-N 486.598 2.590 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749730633 LOGAEOGMQFZBLC-UHFFFAOYSA-N 488.564 2.854 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCO1 1749803879 FNTREDWKPRDSBY-NRFANRHFSA-N 452.559 2.608 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760131685 XSSRESLXUFEPBJ-RBUKOAKNSA-N 458.559 2.987 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1760177930 SATPSVRHSZEUCC-FQEVSTJZSA-N 477.638 2.550 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCCO1 1760235361 KWJFBJLZSHGJME-UXHICEINSA-N 477.606 2.632 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCOC[C@H]1OC 1760245007 OHHPEKGFGBEJEU-HNAYVOBHSA-N 481.366 2.984 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1760272014 VVHRDSBIHIVVHB-UHFFFAOYSA-N 486.642 2.763 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760284340 KRQGWZMRVPYUGQ-QPPBQGQZSA-N 496.681 2.521 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760307031 MKRDOYFUMBMMQT-SJORKVTESA-N 462.348 2.724 30 10 JFEE C=C(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760347273 OUMJYZXUFGBEBF-GUDVDZBRSA-N 479.647 2.713 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760355477 MAVFQTSZMRPZOS-UHFFFAOYSA-N 455.588 2.604 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760357032 CFDXRVCSVAJIHM-HNNXBMFYSA-N 492.627 2.510 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760412411 KUFKSVGMDLIXJE-QGZVFWFLSA-N 479.676 2.659 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1760525468 HBXALFGSWNSIDD-UHFFFAOYSA-N 470.624 2.647 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760526314 KPVYPVDUMCZLOP-UHFFFAOYSA-N 487.486 2.839 30 10 JFEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OCc2ccccn2)cc1 1761216996 BYJWGRFLUWXCRW-XMMPIXPASA-N 463.517 2.881 30 10 JFEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2c(F)cccc2F)N(C)C)n1 1761958816 FIYVRVJVKOHPOH-UZLBHIALSA-N 453.497 2.958 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(Br)s1 1764187209 GKONACFCKILZOH-CQSZACIVSA-N 481.420 2.992 30 10 JFEE CCCOc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1766307438 DNWBHBRMAYDNBD-FQEVSTJZSA-N 476.537 2.960 30 10 JFEE CCN(CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1 1766653651 CPQIWGGBRYXVCX-JOCHJYFZSA-N 470.643 2.810 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(CC)n2)C1 1767251292 DRIPTMURLQYZHV-IBGZPJMESA-N 485.639 2.596 30 10 JFEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c(Cl)c1OC 1768613638 FPZRVRZMBMIZRO-HNNXBMFYSA-N 460.966 2.910 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1769098680 FVVPIWDCKZFFQP-UHFFFAOYSA-N 476.560 2.758 30 10 JFEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)c1 1859002895 VSIKJOAILWYTDQ-UHFFFAOYSA-N 473.514 2.913 30 10 JFEE 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COC(=O)[C@@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2180986270 ZKXHKZVTJMKQMI-MRXNPFEDSA-N 466.315 2.520 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2[C@H]1CO 2235569589 XRHXPHCSNWLEBM-CEWLAPEOSA-N 458.408 2.645 30 10 JFEE C[C@H]1[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255795403 GVAIWHBIIBDINE-ZFWWWQNUSA-N 472.438 2.724 30 10 JFEE Cc1nc(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255804123 ZEFOQPLHJKYHKH-AWEZNQCLSA-N 451.398 2.832 30 10 JFEE C[C@@H](C[S@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)NC(=O)OC(C)(C)C 2255845177 HTJJPKFKGLMHHA-FYKVGYICSA-N 456.370 2.730 30 10 JFEE CC1(C)OB(c2cncc(C(=O)N[C@]3(C)CCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255879618 RSYNRYJTLINPSM-RUZDIDTESA-N 465.359 2.912 30 10 JFEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267193008 YSXAKKAKFDCNSC-HZPDHXFCSA-N 466.409 2.802 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267290922 JMCHTLAEWXNUCB-ZZQWGBOMSA-N 468.381 2.732 30 10 JFEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267359843 QFQMZOSSTNJKQL-UHFFFAOYSA-N 498.863 2.980 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2267488379 UBMJMINPILCZFC-CQSZACIVSA-N 463.409 2.962 30 10 JFEE C[C@@H](CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2267707000 JMNPTVMILJIVGH-KRWDZBQOSA-N 479.477 2.772 30 10 JFEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267714353 XCPPKUCEWDFJMJ-NRFANRHFSA-N 486.465 2.973 30 10 JFEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2268190664 QLNIPLYNYDJXMF-UHFFFAOYSA-N 456.389 2.675 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268604090 XMWUFSCSUSWGDN-ZDUSSCGKSA-N 466.413 2.623 30 10 JFEE CC(C)(C)OC(=O)NCC1CCC(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2268632150 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CCn1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282044028 QUIOGHJYQBLQBA-HXUWFJFHSA-N 452.408 2.939 30 10 JFEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282177590 HZHSWJFBGMDJQG-GUJKFWMDSA-N 463.359 2.754 30 10 JFEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282538944 MSVCTRQVJNAXON-MRXNPFEDSA-N 462.400 2.581 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)n1 2282549032 DQPJAQKPMKTNAK-HSZRJFAPSA-N 463.359 2.768 30 10 JFEE CC(C)(C)OC(=O)N[C@@](C)(CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2282613580 BYLDVAUPSDYPAR-QHCPKHFHSA-N 460.384 2.589 30 10 JFEE C[C@@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(Cc2ccccc2)C1 2282833007 TXBONIFNFRJJJI-NQIIRXRSSA-N 471.432 2.570 30 10 JFEE C[C@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1Cc1ccccc1 2282861106 KJPYTRUMJMOQMH-GHTZIAJQSA-N 471.432 2.712 30 10 JFEE C=C(CS(=O)(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)CO2)B1OC(C)(C)C(C)(C)O1 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Cc1cc(CNC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2283987954 OUTCSULYZWFBOZ-INIZCTEOSA-N 480.436 2.998 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2284050228 XDNIEEDPKWYGEV-FYSMJZIKSA-N 460.355 2.998 30 10 JFEE CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2284058782 PAQWITHWRBHNHE-IRXDYDNUSA-N 461.368 2.734 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F)[C@H]1CCOC1 2284060417 MQXNXHGRIJXWEJ-KBXCAEBGSA-N 464.343 2.993 30 10 JFEE Cc1ccc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2284333029 HOAAQEXGDPOESG-UHFFFAOYSA-N 452.360 2.611 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2288248518 YNHPNZRBMXFSGH-GYCJOSAFSA-N 457.380 2.676 30 10 JFEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2289800590 PENFPRBSKPGGDZ-AWEZNQCLSA-N 482.408 2.925 30 10 JFEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1OC 2296088718 NENOGGLEAOMOAS-HSZRJFAPSA-N 466.534 2.848 30 10 JFEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccccc2)C1=C(O)c1ccc2c(c1)OCCO2 2296565414 SIIUTIWHABYEKQ-HSZRJFAPSA-N 464.518 2.602 30 10 JFEE COC(=O)c1ccc(N2NC(=O)C(=Cc3c(C)c(C#N)c4nc5ccccc5n4c3O)C2=O)cc1 2297534115 CBPUABCSRULSDF-UHFFFAOYSA-N 467.441 2.621 30 10 JFEE C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N5C[C@H](O)C[C@H]5C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 2297633227 QHCQNAGGXZTXNU-JYWDTXOGSA-N 498.620 2.733 30 10 JFEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2320685487 BPWHQUUABXKMKB-CYBMUJFWSA-N 474.816 2.857 30 10 JFEE COc1ccc2c(C=Nn3c(SCC(=O)NC4CCCCC4)nnc(C)c3=O)c(C(=O)O)[nH]c2c1 2321653472 FJNCOZCWQRSPAO-UHFFFAOYSA-N 498.565 2.558 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1(C)C 2327377456 FMQXDVLSBKXCRL-AWEZNQCLSA-N 451.398 2.960 30 10 JFEE CCCOc1ccccc1C=Nn1c(SCC(=O)OC)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329035114 YFLSXXMUAFSPPG-KRWDZBQOSA-N 459.572 2.939 30 10 JFEE 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CCCCCCCC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1 100170699 QWCPYXSYSZBUFV-LJQANCHMSA-N 463.600 2.561 30 10 JFEE C#CCn1/c(=N\C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2cc([N+](=O)[O-])ccc21 101132940 KDKYPKYXJBSFOO-QZQOTICOSA-N 490.588 2.834 30 10 JFEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1 102538764 RHHBMWZEIIIGGF-MYXKAAJQSA-N 496.560 2.856 30 10 JFEE COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN(C)C)c1OC 169951014 CSKHTUUEGVXZQI-LJQANCHMSA-N 455.467 2.752 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccc(F)c3)s2)c(=O)n1C[C@H]1CCCO1 507080025 QCYQYYQPXYHZBI-GOSISDBHSA-N 495.601 2.762 30 10 JFEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1Cc1ccccc1 523181146 YQDUFVGOIGZDEN-UHFFFAOYSA-N 460.555 2.848 30 10 JFEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)NCc2ccco2)cc1 585673422 DSZZJTDPSUPBSS-MRDAHCPUSA-N 460.446 2.553 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)CC1 608916089 WIDAAAHGTPYEIU-UHFFFAOYSA-N 473.624 2.542 30 10 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451.449 2.699 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286348279 VWKPEAUWBLDODV-MOPGFXCFSA-N 479.647 2.819 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1286388232 MFEIJUDTHVINCG-PXNSSMCTSA-N 454.552 2.575 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1286388840 BYAZDJSKUYNOMO-FQEVSTJZSA-N 492.605 2.531 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(Cc2ccc(F)cc2)CC1 1286429517 CFNFQMVNKLCGPG-FQEVSTJZSA-N 454.571 2.805 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1-n1cccn1 1286433209 BCBSAPVOKHOKKY-UHFFFAOYSA-N 462.517 2.821 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1286440930 NLUINKOWLRNUAR-UHFFFAOYSA-N 483.381 2.819 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@]2(C)OCCc3sccc32)n1 1286470963 GZGGSFDUSWSWJH-HSZRJFAPSA-N 454.600 2.873 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2nccnc2C)CC1 1286474841 RDPZYSZTCQVUBY-UHFFFAOYSA-N 484.377 2.943 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1286479204 GFAOLEAVMMJGNQ-LJQANCHMSA-N 475.540 2.780 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(OC)CC1 1286499008 CQQJOPVJNHQGCA-QHCPKHFHSA-N 491.683 2.957 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286561639 FQXZWGBXOWRVDL-XUJKJYMVSA-N 462.591 2.689 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1286568313 VWCYWMZZKNCUSL-GBXCKJPGSA-N 469.586 2.906 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286623089 CEFZRWGHBDUPAS-OAQYLSRUSA-N 463.922 2.754 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1286629869 TTZTXCVWPFMXBJ-IAGOWNOFSA-N 465.986 2.727 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1286646843 WGNJBIYVVFTYBL-OAQYLSRUSA-N 473.643 2.520 30 10 JFEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F)C1CC1 1286731200 CUINMOHABHALGI-UHFFFAOYSA-N 450.465 2.981 30 10 JFEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286769580 BMWVQJFECZFWMD-WOJBJXKFSA-N 452.603 2.766 30 10 JFEE C=CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1286772122 OEMPRFOIFKYQJT-SFHVURJKSA-N 491.614 2.941 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 1286780801 QWKPQRLCSHTTEJ-QGZVFWFLSA-N 467.549 2.977 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286783039 DQSQTYXZKRURRR-SFHVURJKSA-N 484.601 2.949 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1288942350 AFGVVKWHMNCCJH-FOIQADDNSA-N 466.995 2.751 30 10 JFEE C#CC[C@@]1(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)CCCN1C(=O)OC(C)(C)C 1289899202 WOCCUBANYOTJIW-SANMLTNESA-N 454.615 2.890 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1296130316 CQUBBZQFSGVPSA-NRFANRHFSA-N 458.614 2.798 30 10 JFEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300352955 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C#CCN(c1nnc(-c2ccc(Br)s2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1358958826 WUNZPDAQFIKIRR-HNNXBMFYSA-N 497.440 2.743 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](c1cccs1)N(C)C 1358976448 FFXDGFSDUPOJTH-FQEVSTJZSA-N 471.590 2.629 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)c1ccc(OC)cc1 1358994783 WILQAKPPKQNMJV-FPOVZHCZSA-N 454.596 2.846 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359060805 HYIPAISNCYYPAG-MBSDFSHPSA-N 458.584 2.616 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1359100860 HDVPSWKQDUKNMS-YKSBVNFPSA-N 487.048 2.762 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359118037 KSTCENCLVGLPHS-UHFFFAOYSA-N 484.406 2.862 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359127769 ZUKWOADUJHKGQN-YLJYHZDGSA-N 493.450 2.796 30 10 JFEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[S@@](=O)CC)CC1 1359174667 KQDCXCNKQRJQGC-HKBQPEDESA-N 464.661 2.718 30 10 JFEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1359214802 MGTLIRLGTIOBDD-FQEVSTJZSA-N 454.550 2.616 30 10 JFEE C=CCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359219826 FCHHLKVSWYJVGK-KNQAVFIVSA-N 470.593 2.951 30 10 JFEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359298562 DMQUJNQYDJSFOB-CQSZACIVSA-N 471.587 2.833 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1359308915 CBEDBUVYQZRHTK-UHFFFAOYSA-N 485.386 2.986 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1359312447 VCFYRQHRCUWJAN-JJVXONKQSA-N 480.594 2.634 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC[C@H](C)C2)C1 1359324942 VDMDAFRRQPQYKK-RBUKOAKNSA-N 458.632 2.783 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOCC2(CC2)C1 1359327817 LJMZCFCCAZDDKL-UHFFFAOYSA-N 468.526 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1359328764 NQBNVAXNSOYHSN-YLJYHZDGSA-N 478.640 2.718 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C)c1I 1456168645 BVTHYRUAUYOBAV-VIFPVBQESA-N 454.696 2.999 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 1466613555 DYHFJIFFRZVFRQ-LJQANCHMSA-N 452.479 2.966 30 10 JFEE C#Cc1cccc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)c1 1475892270 NNDDPFCXCPGWEW-IBGZPJMESA-N 455.536 2.563 30 10 JFEE CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1499969332 FTKFKUXVDLCTQG-VWLOTQADSA-N 465.602 2.540 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1502519064 CKLHGXDKOQXIKH-AUSIDOKSSA-N 462.595 2.831 30 10 JFEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(COC)CCOCC2)cc1 1502867283 BAPNHIYUOBYEGA-UGKGYDQZSA-N 485.585 2.989 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CC1 1504872571 CNDOCKQPEIFKMX-UHFFFAOYSA-N 452.603 2.965 30 10 JFEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507580555 HMIRZYAMEJVOGD-INIZCTEOSA-N 479.375 2.887 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)NC(C)C 1507701946 PWGMKCMLFMLNFN-HXUWFJFHSA-N 463.579 2.626 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1507702550 MGTURPDPWWCDQK-YADARESESA-N 453.591 2.522 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1507702765 XIFTWGGILJSXMH-SFHVURJKSA-N 473.599 2.967 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1CCO[C@@H](C)C1 1507704201 SOCMIMANHBFAMY-ICSRJNTNSA-N 488.658 2.838 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1507747610 XRRWBDKDINPBBF-QZTJIDSGSA-N 457.600 2.850 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCN(C(C)=O)CC1 1507974454 HAMPAYCHHKAIGG-UHFFFAOYSA-N 453.410 2.555 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1508090105 CWDRZLOELAYBFE-UHFFFAOYSA-N 482.629 2.859 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1508097786 UYWYUCSIMXTXCE-DWLFOUALSA-N 455.559 2.654 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508133739 LRHVYOZUOUBBJV-UHFFFAOYSA-N 480.034 2.940 30 10 JFEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1515311942 AAIYUWZDOXCYCI-FQEVSTJZSA-N 462.558 2.554 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN(C(C)C)C(C)C)c1 1539042865 KJDLMGNIDFGWIZ-NRFANRHFSA-N 452.603 2.957 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN(CC)C(C)C)c1 1539042939 LOJTXNROBLNHDP-NRFANRHFSA-N 452.603 2.959 30 10 JFEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1539071967 IBBBVMMIUZOMGK-JOCHJYFZSA-N 464.614 2.909 30 10 JFEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539133326 DZRNSFNWHHPQHA-RUZDIDTESA-N 464.658 2.708 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N2CCCC2)nc1 1539145810 RSKPTKJKELNBPP-UHFFFAOYSA-N 463.973 2.974 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539218561 AMFSRHPSKNHJFR-GOSISDBHSA-N 481.663 2.750 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539229238 BAFNRFLCHGZUPX-JOCHJYFZSA-N 499.681 2.921 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539231306 UWBSIWIYZKBQQR-CNNODRBYSA-N 497.621 2.559 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1539392553 RRXVWAWBQOXDLJ-FQEVSTJZSA-N 473.618 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1539473997 GPECFKOPFBOCSI-CTNGQTDRSA-N 468.989 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccs2)N(C)C)CC1 1539476475 XUYIRYOELIMZBL-LJQANCHMSA-N 451.600 2.603 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCSC2(C)C)CC1 1539489178 RKAMDMXMSKVGMZ-HXUWFJFHSA-N 469.659 2.637 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539599633 BJESUYRJVBUEJG-NRFANRHFSA-N 496.413 2.521 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1539642309 IJYBIXMNXOCCFX-RXVVDRJESA-N 451.637 2.510 30 10 JFEE C=C(Cl)Cn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539823632 GSABSQUIXJDKRJ-OWCLPIDISA-N 450.971 2.612 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1540020028 QCBOLYXQNFADQO-UHFFFAOYSA-N 487.649 2.708 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 1540122153 ZVPSPNHGMIRWLU-UHFFFAOYSA-N 480.613 2.860 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(C)COCCO2)C1 1540891198 QVJYYALPBKIKRT-DFIYOIEZSA-N 491.633 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)F)CC1 1540899099 CXTSDROEKFOBRD-UHFFFAOYSA-N 477.940 2.726 30 10 JFEE CC(C)c1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)cs1 1541316492 BDQKBKJDQLAOSM-UHFFFAOYSA-N 473.628 2.625 30 10 JFEE C=CCNC(=O)c1ccc(NC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)cc1 1543353713 WSMZNHYJSZAXRX-UHFFFAOYSA-N 453.886 2.991 30 10 JFEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1552733498 BBUNCZOSTXYFNR-UHFFFAOYSA-N 497.600 2.558 30 10 JFEE Cn1nnc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC[C@@](C)(C#N)C2)n1 1554365585 BCGALVHELUVTMG-SFHVURJKSA-N 460.315 2.549 30 10 JFEE CN1C(=O)C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccc(F)c(F)c1 1564547188 IFZSHUPRHQCVKU-JAXLGGSGSA-N 467.476 2.603 30 10 JFEE Cc1nc(-c2ccc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cc2Cl)n[nH]1 1566867109 GRLXNFYCQZDEMJ-NSHDSACASA-N 458.931 2.889 30 10 JFEE C#CCN(C)CCCNC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1569840286 XHBOWENDBZORKL-NRFANRHFSA-N 451.571 2.621 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCNS(=O)(=O)c1ccc(C)s1 1587674329 XXZZUMJBHFCJPP-OAHLLOKOSA-N 477.587 2.803 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CN2CCCC2)c1 1587697492 QYFUEIGRPTWECK-HXUWFJFHSA-N 488.640 2.928 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588040130 IMRPQOUOYNRAFF-INIZCTEOSA-N 486.516 2.932 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588041427 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C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCN(CC)C2)CC1 1588962279 YRIIRJOUSYELCQ-QFIPXVFZSA-N 478.641 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1588967846 BXADOSPDPFJHNI-UDIDDNNKSA-N 487.645 2.563 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCCC2)CC1 1588968832 QWHYOAHEPAOZPO-UHFFFAOYSA-N 483.638 2.850 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589116047 BZMMOSJKYNCPJQ-QFIPXVFZSA-N 496.637 2.553 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1593717502 GQBWPFLAGBVYTQ-IBGZPJMESA-N 474.569 2.923 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1594498961 ZAIRYHYVHTZEDT-IAGOWNOFSA-N 457.666 2.545 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1594807399 NRXQTUBZQXHAIL-UHFFFAOYSA-N 450.543 2.568 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1595343668 RBJZXACAYAWZRC-SFHVURJKSA-N 496.431 2.524 30 10 JFEE 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2.648 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1301237174 NPAOFGUTLPZNMG-OAQYLSRUSA-N 452.603 2.818 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2cncn2)C1 1301593604 QPNVBKMKAIBGRZ-FQEVSTJZSA-N 485.614 2.508 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1301644730 PXDATDVFOGZWFE-QFIPXVFZSA-N 450.543 2.521 30 10 JFEE O=C1CC[C@@H]2[C@H](C1)Oc1cc(O)ccc1[C@@H]2c1cc(C(=O)ON2C(=O)CCC2=O)ccc1C(=O)O 1307302202 ZDLBTZISDZBVGO-MONBJTKQSA-N 479.441 2.573 30 10 JFEE CN(CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1314858418 HCRCYDHNIBRQCA-IBGZPJMESA-N 487.889 2.798 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1358918682 CRYXDBHJUPTECT-MOPGFXCFSA-N 454.962 2.522 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)c1ccccc1 1358941882 AUHUMTWHTBCEGQ-UHFFFAOYSA-N 480.413 2.817 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358957967 DSPOPTGAQXZWBI-ZRCGQRJVSA-N 480.638 2.564 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1359037467 KHQAVEFNRXGZOJ-QFIPXVFZSA-N 465.552 2.600 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CN2CCCC2)CC1 1359041992 NYBIFNPYDUYHGJ-IBGZPJMESA-N 479.585 2.551 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 1359056476 GDKGELAJDHEIIU-LJQANCHMSA-N 460.625 2.636 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359155592 CWJPFYODYPZUPA-GOSISDBHSA-N 468.023 2.992 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1)c1ccccc1 1359196049 WMUCGJAFPRZUAX-MDNUFGMLSA-N 487.670 2.697 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1359215552 FCSRUOINCYWWDB-ZDUSSCGKSA-N 494.565 2.689 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1359327348 YXNIJTAUECJCRG-QZTJIDSGSA-N 451.637 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1359329569 NNDAJNYNZNDYRV-KRWDZBQOSA-N 478.615 2.957 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1359342123 POTLCKUCTCUCID-QGZVFWFLSA-N 469.615 2.670 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1 1359486689 CGEDZYOWUOGHDP-QZTJIDSGSA-N 468.583 2.624 30 10 JFEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1360042897 AQUSWNSRRLVGQS-MGBGTMOVSA-N 470.599 2.642 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1495735247 FBRMXABQMCNTIB-RBBKRZOGSA-N 466.634 2.742 30 10 JFEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C1 1503844078 GOYQDTYUVATXIY-WMZHIEFXSA-N 454.600 2.643 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1507628806 IJOBONYUUXFVPU-PZJWPPBQSA-N 465.579 2.743 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1507719298 MROHAFBABKRSAJ-WNCULLNHSA-N 480.657 2.594 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN(C)C2CCCCC2)CC1 1507727771 TYHRTCAKWMTNJM-UHFFFAOYSA-N 450.631 2.919 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1507750592 AEJHKZGXLORXCL-ICSRJNTNSA-N 460.625 2.594 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1507753726 QYRJQEAIOCEQPX-IBGZPJMESA-N 452.584 2.590 30 10 JFEE C#CCSCCn1c(N2CCC[C@@H](n3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1507757839 CNNJUTIDOJOSIJ-NFBKMPQASA-N 458.632 2.951 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1507775296 LJZCGDDPIREEIK-OAHLLOKOSA-N 498.447 2.673 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1507920044 JDHDJZXFICPZPH-YKSBVNFPSA-N 471.627 2.791 30 10 JFEE C=CCC(C)(C)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1507920226 VANJJYNVKHLNJN-HXAGEGRHSA-N 488.677 2.521 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508075183 OYWRRKQZBJFVFG-MOPGFXCFSA-N 486.592 2.549 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCNC(=O)[C@H]3CC)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1508103138 CHVVOFYNOMUBPT-PXDATVDWSA-N 469.586 2.647 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1508105451 RQNHINYXNKNKCK-OAQYLSRUSA-N 489.642 2.851 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)N[C@@H](C)CC)C1 1508111172 DDLKOAWKKKZSAN-PKOBYXMFSA-N 455.559 2.802 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCS(=O)(=O)C2)C1 1508131864 OBPNQELGTUEEJA-WOJBJXKFSA-N 460.600 2.690 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1508159430 NRCOWDXQDNJWEG-ZWKOTPCHSA-N 456.616 2.872 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1508168865 ZKXWYSFVGMFJRR-UHFFFAOYSA-N 462.570 2.925 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)[C@@H](C)C1 1508258987 IIGCIUPCKHYSLF-UWJYYQICSA-N 452.559 2.601 30 10 JFEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1509712187 GCNWCLNGGMSKJR-IBGZPJMESA-N 478.557 2.816 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)c1 1527476755 SXKLOWPGCHODOV-OAQYLSRUSA-N 451.548 2.679 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1539204152 ZFIJCJYGZKFGBQ-WMZOPIPTSA-N 466.604 2.937 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539210317 BQEQAXLTSHLSJT-IFMALSPDSA-N 497.621 2.785 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539210342 BROYLHRKYUQRAK-GOSISDBHSA-N 459.934 2.808 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539224911 KFPYMWQVWBQRQX-BJKOFHAPSA-N 492.649 2.502 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1539344656 FXWXAEIFNZCREL-NLFFAJNJSA-N 451.571 2.831 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1539474161 KMGCVPYTZNVLTJ-HXUWFJFHSA-N 490.029 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccn(Cc3ccccc3)n2)CC1 1539482710 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1561590360 KNOHXABCEHAUEN-KKSFZXQISA-N 459.543 2.772 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCCc1ccccc1 1587676986 ABFVSBFQRSZPFJ-SESVDKBCSA-N 480.613 2.866 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)CCC)c1 1587683094 AYYJMYRGZPWEAC-RUZDIDTESA-N 475.553 2.533 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC2(O)CC(OCC)C2)c1 1587689201 DEIZKPMNKSFFEV-UHFFFAOYSA-N 474.565 2.635 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCNC(=O)C2CCC2)c1 1587689802 QNKGSZYLKXIUGQ-UHFFFAOYSA-N 471.565 2.703 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(c2ccccn2)CCC1 1587932370 QJDPTBUYIILQNM-UHFFFAOYSA-N 464.595 2.782 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1587990148 SYZMODUIJWNHGA-MSOLQXFVSA-N 492.621 2.959 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588069460 OJDHNRKSYBYNMH-YKSBVNFPSA-N 472.611 2.670 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CCN1CCOC(C)(C)C1 1588166447 GTZRBONSYGLHCX-UHFFFAOYSA-N 453.612 2.763 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC[C@H]1OC 1588637652 IJHVNNAIQGACOX-NJDAHSKKSA-N 491.633 2.530 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC(F)(F)C1 1588646023 FYMAFQNZXDJJMC-KRWDZBQOSA-N 469.533 2.718 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CCCS1 1588646307 IQGBNCUIQYRVBY-WZONZLPQSA-N 479.647 2.958 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1588913410 JQCWJLXEHSJBEM-QHCPKHFHSA-N 457.582 2.609 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1588947909 YILHWBRLQKQKHG-VWLOTQADSA-N 492.668 2.734 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1588975903 MZLMLKZVADMQFD-FQEVSTJZSA-N 484.626 2.846 30 10 JFEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593642931 GCUFDCLUUYHZEW-UHFFFAOYSA-N 476.990 2.738 30 10 JFEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1594807154 GBOAHWYBIOHSMD-INIZCTEOSA-N 488.536 2.598 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1595658421 CIGFLGSIZXZJNH-HXUWFJFHSA-N 458.584 2.576 30 10 JFEE CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1607454757 CHCHUZDKMVMGPD-LEWJYISDSA-N 462.664 2.678 30 10 JFEE Cc1ncsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1611852534 CZYGKCNTURWOBT-UHFFFAOYSA-N 456.597 2.838 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1614079205 BUKYBJVNDVCYET-KCVHQNEMSA-N 479.629 2.954 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H](C)O1 1614261646 GWFNVRZFTZXQMZ-FXAWDEMLSA-N 473.599 2.557 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1615213248 HRYAWNBZIXWJMA-GOSISDBHSA-N 484.548 2.714 30 10 JFEE C#CCNC(=O)CN1CCN(C(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)CC1 1626966929 WRQBJMKMXKAWAY-UHFFFAOYSA-N 451.379 2.933 30 10 JFEE C=CCn1c(SCC(=O)Nc2ccc3c(c2)B(O)OCC3)nnc1-c1ccc(Cl)cc1 1642019787 MLVBCFKWUITYDI-UHFFFAOYSA-N 454.748 2.776 30 10 JFEE C=CCN1CC[C@H](N(C)[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1=O 1653435368 OOLYXGNRCOZHAF-UWJYYQICSA-N 450.539 2.993 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1 1663076290 XINJOSJPKNXULI-LJQANCHMSA-N 451.589 2.964 30 10 JFEE C=CCCS(=O)(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1664611853 LIAVEDHVRUHGAM-KRWDZBQOSA-N 453.609 2.552 30 10 JFEE COc1cccc([C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N2CCCC2)c1 1677130281 CQLRQQGQSGSJIJ-GIVPXCGWSA-N 457.575 2.890 30 10 JFEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689938787 WKLTUBIURXZFDW-BWKNWUBXSA-N 489.624 2.521 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1689975256 PZOBNQZEFYIMQH-GOSISDBHSA-N 453.921 2.936 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689989764 IKMMAVZNRUGIII-FSSWDIPSSA-N 477.675 2.659 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1690042887 HJDVULDWOXKVFJ-UHFFFAOYSA-N 466.611 2.571 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1COc2ccccc2O1 1690095382 PEDAJDYKXJBMOY-MRXNPFEDSA-N 472.343 2.962 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nccc(C(F)F)n2)CC1 1690110591 SAIXVTHDIOCLMM-UHFFFAOYSA-N 480.523 2.678 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@](C)(O)C2CC2)CC1 1690132688 WODCCPSFCNKWBU-JOCHJYFZSA-N 474.403 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1690146605 RXGOAJPJDDSRNO-QFIPXVFZSA-N 493.612 2.627 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)COC)CC1 1690152370 IUIKAOHXQZDWLV-FQEVSTJZSA-N 453.587 2.722 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690167530 LAZNDBQEBCAVRY-HXUWFJFHSA-N 455.628 2.869 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690278535 DRCWBALFKNOIQA-HNNXBMFYSA-N 457.522 2.998 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690394442 ABFSAWABXNRGCV-OAQYLSRUSA-N 486.642 2.974 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1690554160 WFCKKQVIPRRDCA-HSZRJFAPSA-N 472.567 2.597 30 10 JFEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690629087 CQLXGFDOIMVGSU-OXJNMPFZSA-N 468.558 2.769 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1COC(C)(C)OC1 1690663614 BKTCTSRRESDYGT-UHFFFAOYSA-N 463.966 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690717427 FRXQRBMAAHZQCX-QGZVFWFLSA-N 494.419 2.712 30 10 JFEE Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)c1 1693301489 CUOJDHGGCZUKLO-UHFFFAOYSA-N 462.558 2.541 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1694211113 ACDODMUEPRNMHM-XMSQKQJNSA-N 476.585 2.916 30 10 JFEE CCN(CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1695647625 BTGPKZBOTGYQSL-WIYYLYMNSA-N 458.632 2.666 30 10 JFEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1697723880 HNABEWZSUIPZHO-KRWDZBQOSA-N 464.492 2.994 30 10 JFEE COCC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1697930790 HGVXJWMUHMXUED-URXFXBBRSA-N 472.565 2.645 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 1705491407 CGJFRBXCTPKGRV-LJQANCHMSA-N 490.587 2.788 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccn(CC)c1=O 1705505453 KYEIMBXAVTXRPQ-QRQLOZEOSA-N 454.575 2.737 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1705568452 NRPOAXSLVNVNFD-TZIWHRDSSA-N 474.652 2.996 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705570410 MYRDRRGHOYJZSK-UIFIKXQLSA-N 462.591 2.696 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1nnc(C)s1 1705596243 XZWMGYUZJMADAZ-UHFFFAOYSA-N 486.605 2.931 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(SC)CCN(C)CC2)CC1 1705641524 JBBFOBUCSMTJTL-UHFFFAOYSA-N 452.672 2.646 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2c(C)nn(C)c2C)CC1 1705651236 ORSQLAMFVIRQNB-UHFFFAOYSA-N 496.015 2.875 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1705660220 PUYQODRQZRVKAI-QZTJIDSGSA-N 490.427 2.936 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(S(=O)(=O)CC)CC1 1705663012 SOQUNKCUVOIJPQ-UHFFFAOYSA-N 462.641 2.647 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705687550 FYKGPTYMSBERDW-GFCCVEGCSA-N 461.332 2.679 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1705716202 CLBXZVUXSVGLFB-HMFYCAOWSA-N 489.642 2.946 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1705737277 NIUUNYAFUJTOMT-RTWAWAEBSA-N 460.600 2.568 30 10 JFEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1705784002 DKLTZGVOGZGYME-FQEVSTJZSA-N 485.702 2.946 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1705792467 UIUIDBJUBQSTEJ-MRXNPFEDSA-N 457.666 2.545 30 10 JFEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 1705796110 ZHSYEZZHQFKFPS-NRSPTQNISA-N 483.642 2.976 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705832454 YBXDCXLRSBKPSC-HXUWFJFHSA-N 457.623 2.864 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 1705910024 PANZOHQANAKHAI-QGZVFWFLSA-N 453.465 2.797 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Br)cc2)C1 1705917322 WBDUZOIEGDBSKW-MAUKXSAKSA-N 498.447 2.675 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nnc1C(C)(C)C 1705939058 QZTGEPADSVEEQM-IBGZPJMESA-N 473.643 2.823 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1705949500 AKVHKNJAIWOULV-QFIPXVFZSA-N 467.636 2.907 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1706462255 CFDGLSHEXWDPLF-SFHVURJKSA-N 473.599 2.917 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1706848304 DSZSMCRPDFSMFK-UMGGQSCQSA-N 460.604 2.795 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1706917535 GOIZCFIINSEAEE-MDOVXXIYSA-N 467.954 2.948 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCCCC1 1706997257 GWXQPGRWINPOFA-INIZCTEOSA-N 459.620 2.980 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1722358354 ARCMGOUFYAVJML-LJQANCHMSA-N 464.035 2.813 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722363736 BMHXGUANRXOUFR-WOJBJXKFSA-N 475.684 2.678 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722364337 FVRQRPYZYXKSPZ-GOSISDBHSA-N 467.686 2.650 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722366263 HTCHAEKKVAEDKB-FCHUYYIVSA-N 493.718 2.630 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1ccccc1CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722366748 KINHCMKPCLKNAK-JOCHJYFZSA-N 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30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740990039 GPKHYPCKBNZYRM-IBGZPJMESA-N 476.990 2.511 30 10 JFEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1741005908 VCVAIOBGIBMIBU-UHFFFAOYSA-N 470.599 2.605 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)CC(F)(F)F)cc1C 1742253789 HYHKVQJMBQJQLU-SFHVURJKSA-N 479.507 2.760 30 10 JFEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)OC 1744165516 GPOXQXJXUSOPQW-QFIPXVFZSA-N 478.601 2.600 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748761164 ONQDAXPTPKIZRB-UHFFFAOYSA-N 466.007 2.784 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1748820076 YRGXOTOLEBYSBS-FQEVSTJZSA-N 474.602 2.842 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748821706 SYUGJNPYPUOUJF-FQEVSTJZSA-N 467.595 2.936 30 10 JFEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)NC(C)C 1748867723 LFCOFLIPHXPSEY-UHFFFAOYSA-N 453.612 2.539 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc([C@@H]2CCOC2)cn1 1748917202 PTYOJWZZIIJRTE-GOSISDBHSA-N 450.543 2.822 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C(F)(F)C12CCC2 1748950151 FOKMYQRBDGMVJW-IBGZPJMESA-N 493.580 2.717 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCCCC1 1748960937 RNZADTMLTYOVPV-UHFFFAOYSA-N 477.613 2.637 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1748986929 MQMSJSBVEVPHNN-UHFFFAOYSA-N 476.581 2.868 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](OC)[C@H](C)CC)CC1 1749016953 QXERXGSIQUSNQJ-UZLBHIALSA-N 458.632 2.661 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(=O)COC)CC1 1749022517 CXRYKURKZSDCAD-UHFFFAOYSA-N 492.443 2.805 30 10 JFEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749029582 SXMPHKDXDYPDBN-GCJKJVERSA-N 487.073 2.954 30 10 JFEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749043115 DXIHLWWXJREXNY-SFHVURJKSA-N 452.584 2.924 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1c(C)nn(C)c1C 1749141350 BBPRLZPGGJINIJ-MPJJRAAHSA-N 458.607 2.970 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1749153986 HSWIPDILMALBGX-KRWDZBQOSA-N 470.599 2.512 30 10 JFEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749195303 JIQKLYKKULNSLX-VGSWGCGISA-N 458.557 2.712 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1)c1ccccc1 1749384906 JIHMTQKTYJDRFK-SFTDATJTSA-N 471.627 2.645 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1749387202 UKNFAQQETRDZTJ-UHFFFAOYSA-N 453.591 2.991 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)C(C)C)C1 1749712357 IPEFTDNLQCNTCY-PMACEKPBSA-N 478.638 2.708 30 10 JFEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)c1cccnc1 1750595407 FUYWRGWYTQQPDO-QFIPXVFZSA-N 459.554 2.842 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCS(C)(=O)=O)C1 1751273501 FKLGWWDQYQVJDP-QFIPXVFZSA-N 453.572 2.900 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2sccc2C)c1 1760128642 OGCFPPZROLTXCX-LJQANCHMSA-N 462.579 2.898 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760180268 BFDJURGVPIAQLK-MOPGFXCFSA-N 455.609 2.952 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1760218442 GRQLZYJAKXVTHD-JOCHJYFZSA-N 495.628 2.747 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)c1ccco1 1760243691 DKAGBJCCBYQYFJ-FQEVSTJZSA-N 462.348 2.633 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760245404 BSWRNVGBJJRZQH-QGZVFWFLSA-N 471.558 2.716 30 10 JFEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760281705 QEKYMSKBNIXAHR-AWEZNQCLSA-N 452.506 2.910 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760307018 MGRCZDRZPCLHHW-KRWDZBQOSA-N 492.422 2.986 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760320093 SASYCCPULQJESF-LAUBAEHRSA-N 477.606 2.926 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760326629 YTZIMTPBFQPEJQ-IZIIKQMZSA-N 486.686 2.948 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(C(C)C)n2)CC1 1760402349 KPSXIJOOMMLQCK-IBGZPJMESA-N 494.687 2.836 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760436068 GUIAPAKPVPODJB-QGZVFWFLSA-N 480.660 2.608 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1760485041 QSDPUNHIODODMR-HXUWFJFHSA-N 475.546 2.584 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2)c(F)c1 1760500676 SNPQEBZDLWHCFE-UHFFFAOYSA-N 453.522 2.526 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C(F)(F)F 1760505259 PKZLDAZRYYWGEJ-INIZCTEOSA-N 458.506 2.886 30 10 JFEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1760510336 RJNUBYJVMQUHBW-RDJZCZTQSA-N 467.389 2.707 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760516587 RCAAGYTXLMMJPT-AEFFLSMTSA-N 474.993 2.678 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC1CC(F)C1 1760521575 XLBYTUCRFYULJW-UHFFFAOYSA-N 467.549 2.722 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760528396 BBEAADDNWIHSEH-YADARESESA-N 457.550 2.754 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1760538459 YYDOQPCBBXXOKE-JOCHJYFZSA-N 455.603 2.970 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(COC)CCOCC2)cc1OC 1765992723 DKSKTHOLXXLIAT-IBGZPJMESA-N 471.558 2.524 30 10 JFEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1767783556 BHYZNVZGUZAPMY-UHFFFAOYSA-N 477.569 2.922 30 10 JFEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN(C)CC(F)(F)F 1767936009 AEYDKHFSWDIMBM-UHFFFAOYSA-N 465.524 2.897 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCCC1 1768659530 DQEZYTSMOVDNBR-UHFFFAOYSA-N 451.556 2.601 30 10 JFEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCSC1 1771111267 DZFJWCHINMKDII-QGZVFWFLSA-N 467.599 2.702 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1772564823 YZXHJARQBWXLHV-HNNXBMFYSA-N 456.515 2.655 30 10 JFEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2OC)cc1 1858983010 DJDJEZDYAPGIFA-UHFFFAOYSA-N 487.578 2.505 30 10 JFEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc4c(c3)OCO4)cc2)c1 1858995745 KTNHCPDYWDGSOY-UHFFFAOYSA-N 492.513 2.770 30 10 JFEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862179581 GHVTYMQJLZTBKR-CTNGQTDRSA-N 487.622 2.655 30 10 JFEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc1OCC 1862634019 IPKVYNYLCVMRNT-QHCPKHFHSA-N 496.516 2.927 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1cc(Br)c(O)c(OC)c1 1864293105 KVDUMUULZUBMHR-OAHLLOKOSA-N 477.359 2.846 30 10 JFEE CCOc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866868050 RWYMQCHDKJBGRD-VQTJNVASSA-N 456.568 2.539 30 10 JFEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)c1 1866923882 SETRGJFBDRVTFI-DYESRHJHSA-N 457.527 2.578 30 10 JFEE CC(C)OCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869931634 CDNWZPOCMYDKEY-OAQYLSRUSA-N 468.579 2.749 30 10 JFEE O=C(NCc1ccc(F)cc1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933410 GGNOLXKGZZRUPX-HXUWFJFHSA-N 455.486 2.931 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCN(C)C 1870398770 XTWDJDKIDQVQKF-UHFFFAOYSA-N 469.542 2.510 30 10 JFEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN(CCO)Cc1ccccc1 1870519390 OWTXYKJEZVVBHI-UHFFFAOYSA-N 475.589 2.767 30 10 JFEE N#Cc1ccc(COc2cn(CCOCCO)c(CNc3ccc4nc[nH]c4c3)cc2=O)cc1 1871254444 ZUJFOFDCIDFXIG-UHFFFAOYSA-N 459.506 2.796 30 10 JFEE COc1cc(/C=N/n2c(SCCO)nnc2-c2cccs2)ccc1OCCN1CCOCC1 1874425062 PSIFPPQZRRIDJO-XQNSMLJCSA-N 489.623 2.693 30 10 JFEE COc1ccc(OC)c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2C)c1 1874431261 HWOXMRCPDMONMI-BRJLIKDPSA-N 482.566 2.853 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc(Br)c1 1874433793 YKUZISCUOHDCAK-ODCIPOBUSA-N 494.400 2.746 30 10 JFEE CN(CC(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1)c1nc2c(S(C)(=O)=O)cccc2s1 1891901283 UNJVAVGRKZKINM-KRWDZBQOSA-N 499.618 2.720 30 10 JFEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 1892045190 CSHXHGQZMIOLMD-UGKGYDQZSA-N 497.621 2.869 30 10 JFEE CC#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 1963880233 BBANEAVHXWIOGS-IRXDYDNUSA-N 453.580 2.560 30 10 JFEE COc1cc(C=CC(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)ccc1OCC#N 2040698620 DBFYYCBMRKIDIL-CYBMUJFWSA-N 491.422 2.715 30 10 JFEE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)CC(=O)NCCC#N 2074680707 MUPZOYQAQPVDMB-VXJJZJMSSA-N 497.573 2.535 30 10 JFEE C#CCNC(=O)[C@H](C)[S@](=O)C(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074691938 PXHVTUAEYKWGHH-YXTKSNJGSA-N 496.585 2.644 30 10 JFEE CO[C@]1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2180979951 CUJHJCFIBXEHCM-XMMPIXPASA-N 460.380 2.628 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc[nH]1)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 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C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)c1occc1C 1286718526 MNAQNBPQFHJHQS-UHFFFAOYSA-N 457.556 2.692 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1286746771 DKIUJACMENPJIA-UHFFFAOYSA-N 479.488 2.858 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1286763441 ZJORGGALRIKTHK-JOCHJYFZSA-N 485.654 2.818 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1 1286772279 ACBIFACUWCGWJE-AABGKKOBSA-N 479.622 2.776 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286784215 BELHIDGEEBYDKM-UHFFFAOYSA-N 466.977 2.634 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286796113 HHLVDKZIFSQPMV-VWLOTQADSA-N 475.553 2.501 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(F)(F)Br)C1 1286803872 HAYZHUREBJSEGB-HNNXBMFYSA-N 481.305 2.690 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](OC)C1 1286815665 YBJFNNPZYKZQGA-KRWDZBQOSA-N 469.405 2.924 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(OC)c(OC)c1 1300323418 ZWGDJABVZOSCRO-MRXNPFEDSA-N 453.568 2.987 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)c1 1300332151 YMWGPXWBLAJYCS-JOCHJYFZSA-N 462.554 2.618 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300371688 HPFKUINBAXJITP-HNNXBMFYSA-N 482.532 2.578 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300483414 LLGOFODGSJZXHI-GOEBONIOSA-N 499.406 2.756 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(Cn2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 1300496425 RELBJRZSTGWKLB-JOCHJYFZSA-N 480.638 2.787 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCc2sccc2C1 1300512438 JOSMTNLGODTKFZ-XMMPIXPASA-N 453.612 2.511 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1300547582 OSZBUXBXWKFWML-SFTDATJTSA-N 471.602 2.866 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1300762708 LWGCHKJOSTWNQY-SFHVURJKSA-N 490.651 2.603 30 10 JFEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1300956703 BIEBJKWDQVZJDO-FQEVSTJZSA-N 479.629 2.670 30 10 JFEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301174711 UBMCQRQYAAMHRL-WMZOPIPTSA-N 472.977 2.575 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccc(C)c(F)c1 1301287453 SCUZKQYQUSFBJG-UHFFFAOYSA-N 485.589 2.738 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC=CO1 1301341723 VMQUVTOEABBMIN-FXAWDEMLSA-N 456.572 2.645 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1301363059 NMJBVPHOWDEZTR-VQTJNVASSA-N 493.699 2.935 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC(C(=O)NC)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1301529145 HMRRPTKUFXOJDN-VWLOTQADSA-N 469.586 2.506 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCCCO1 1301579120 NEHYDBJIABXPEV-NRFANRHFSA-N 470.599 2.737 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)C1 1301676820 ARMRPLSKGQJLRW-QFBILLFUSA-N 471.993 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CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2339879719 XMNVCSQVOVUSIM-AWEZNQCLSA-N 468.787 2.909 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2359283697 HSLBWPOPPWHSTL-QGTPRVQTSA-N 458.364 2.677 30 10 JFEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2359385604 VSJYXAXTWWNLAU-KSZLIROESA-N 478.420 2.830 30 10 JFEE C[C@H](NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O)C1CN(C(=O)OC(C)(C)C)C1 2364881054 IJCBJAHBRASBNK-ZDUSSCGKSA-N 464.343 2.816 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O)C1CC1 2364958315 ICFPZYRUUJBRHQ-QGZVFWFLSA-N 464.343 2.864 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)OCC1(C)C 2371993539 RAUJTHUXKCGPPR-OAHLLOKOSA-N 465.375 2.768 30 10 JFEE C=CCn1c(C)cc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1C 11399139 PGZBNCCUUVSLJG-UHFFFAOYSA-N 460.552 2.660 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCSCC#C)CC1 1286487249 DVZVHSAUXWOPDR-SFHVURJKSA-N 469.586 2.889 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccnn2)CC1 1286500795 ZAIKHLQBIOSLCS-UHFFFAOYSA-N 473.404 2.519 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286504778 PYRXTYIEYLTWEX-GOSISDBHSA-N 472.615 2.745 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1286508036 HGLUAMMZNKYUNG-SFHVURJKSA-N 482.610 2.921 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286530495 ABAWCJATKDDDBK-ZDUSSCGKSA-N 480.363 2.581 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1286556885 RUBPJLVULCMCHK-GHDARCQNSA-N 452.621 2.557 30 10 JFEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286611780 POFPRGHOGDSEHW-UHFFFAOYSA-N 459.616 2.643 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286693495 REOHZKJYRGKKBB-LJQANCHMSA-N 471.993 2.868 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1286715486 JPTBWEQBRJHYFD-QHCPKHFHSA-N 491.061 2.692 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1286747280 HDTNIINBKXUVJX-UHFFFAOYSA-N 492.696 2.916 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCN1CCN(C(C)=O)CC1 1286748167 RHZNJYLLXWHMAW-UHFFFAOYSA-N 451.600 2.758 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286783068 FRBPXVANRWGLCM-UHFFFAOYSA-N 482.972 2.918 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 1286820490 MDZNGVOLZIFCKC-SFHVURJKSA-N 497.662 2.814 30 10 JFEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)CC1 1286856114 GSWUJOLGQSBSBD-QHCPKHFHSA-N 466.586 2.993 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC[C@@H]1CCCCO1 1288775764 GRYVDYWGULXZJL-XLIONFOSSA-N 460.604 2.746 30 10 JFEE Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)s1 1290294137 CDFFNTOOVLEGRX-RHSMWYFYSA-N 451.556 2.609 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1300486939 CILVIHWIXQJCRA-IBGZPJMESA-N 484.651 2.964 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300487736 MCZQHCGELCNSAZ-WOJBJXKFSA-N 465.579 2.743 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300491278 GDPLWSVRBWLZML-CRAIPNDOSA-N 470.624 2.844 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(OC)cc1 1300528284 UGHSWWDJGAAEPN-UHFFFAOYSA-N 462.579 2.562 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1ccnn1 1300561254 MSBJPNCPRLMOQM-UHFFFAOYSA-N 468.359 2.861 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1300618960 PLCNLXXOIBWICN-OAQYLSRUSA-N 490.656 2.551 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC(C)(C)[C@@H]1C 1300755549 WMADIIDBWCIQKQ-INIZCTEOSA-N 462.645 2.608 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1300819073 JUGCFBOMIGZOAT-IEGUWTFLSA-N 477.631 2.642 30 10 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C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cn(C2COC2)nn1 1358987958 YGHHWIZNYMRMPN-UHFFFAOYSA-N 484.333 2.521 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCC2)CC1 1359031813 QJQULEUYMTXCDL-UHFFFAOYSA-N 457.420 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](CC)C1 1359329648 PYEZIQMNSVSNEA-DLBZAZTESA-N 464.588 2.567 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1359362953 HYEVQCMFKUQQFG-IBGZPJMESA-N 459.510 2.546 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(-n2nncc2C)cc1 1469395012 BVCGDNPILJOEET-IBGZPJMESA-N 452.540 2.812 30 10 JFEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(F)F 1477059094 HDVUSZDENHYBQX-SFHVURJKSA-N 451.518 2.934 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H](C)C1)S(C)(=O)=O 1493795489 BTHBKURNEDUYRN-QRVBRYPASA-N 458.632 2.806 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507556301 KKTJLLWJWPRGPZ-INIZCTEOSA-N 450.996 2.563 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1507588077 FSWGKOADXVQNJU-QGZVFWFLSA-N 481.544 2.939 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1507635186 QEJPCTJDYLZFAY-QGZVFWFLSA-N 493.427 2.677 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)C)C1 1507644376 GMIXDROEUSAONP-FQEVSTJZSA-N 453.612 2.542 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2ccccc2)nc1 1507679751 QBHQKUCMXCWYBV-QGZVFWFLSA-N 454.556 2.583 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC[C@H]1C 1507703499 WKAXUDJZOHJZBG-NWSQWKLXSA-N 471.577 2.502 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@](C)(O)CCC)CC1 1507723845 WLTKOJNACODVMD-AREMUKBSSA-N 477.613 2.542 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(F)cc2F)CC1 1507739381 GVPUSCUFVKHEIK-UHFFFAOYSA-N 450.493 2.556 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1507743538 FMULJKSTMNVOJR-HNNXBMFYSA-N 468.505 2.840 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC(C)C 1507766067 YTMBYZHBEWIRCS-HSZRJFAPSA-N 468.583 2.920 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1507798739 PBOCWAKQHRCOLM-JBACZVJFSA-N 493.674 2.775 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1507809451 WLAGBJONYIADAW-POAQFYNOSA-N 489.020 2.661 30 10 JFEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507885688 KUHUKFOENIECHW-GOSISDBHSA-N 450.008 2.960 30 10 JFEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCCS1(=O)=O 1507971483 ADPMWSMCRRGWNZ-UHFFFAOYSA-N 458.357 2.504 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508073151 IZBCUMMDJOOADS-DGGJZMOXSA-N 475.977 2.758 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1508076294 YYMRBZVROVLWBG-FCHUYYIVSA-N 463.586 2.533 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)nnc1C(C)(C)C 1508147886 DDOPVJQJJIDZFH-UHFFFAOYSA-N 491.633 2.848 30 10 JFEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508153506 MIZMGEXCBWTHGH-UHFFFAOYSA-N 495.653 2.529 30 10 JFEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1508154445 AIYVRLVUSZBRAR-QGZVFWFLSA-N 481.626 2.651 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cc(CO)nn1 1509943951 GEKVYPFOXAVOQP-CYBMUJFWSA-N 477.342 2.759 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1513333016 BJNAMKLIFNKJOS-XMMPIXPASA-N 493.656 2.941 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)C1 1517679597 CGPOSWNCEYQNIY-QUCCMNQESA-N 464.526 2.624 30 10 JFEE N#CCC1(CNC(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)cc2)CC1 1524795663 GJYJCBNPBIYPSL-SFHVURJKSA-N 453.568 2.923 30 10 JFEE Cc1cc(C#N)cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)n1 1527213816 DHGZCRHJSAKDSZ-UHFFFAOYSA-N 455.323 2.842 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539230041 JUHWOHJBDYRTPG-RXVVDRJESA-N 497.621 2.935 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCC[C@H]1CC 1539333290 ACEDTIRILDJLHK-HXUWFJFHSA-N 452.628 2.997 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1539417881 XYJBIDSDHCSAKV-UHFFFAOYSA-N 456.554 2.596 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCCN2CC)CC1 1539489342 UUABECAZWGAAGR-QHCPKHFHSA-N 478.641 2.870 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1539491489 RTPUCUIIRLVPAB-UHFFFAOYSA-N 474.675 2.934 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1539492100 ZPTCYVHOOHPJDC-GOSISDBHSA-N 455.584 2.903 30 10 JFEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539496478 GLUGYSIPPUYFKR-XZOQPEGZSA-N 480.682 2.929 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCS(=O)(=O)CC 1539617938 ZTMNIBZAGWDZOB-CTNGQTDRSA-N 489.642 2.999 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539966729 MLXOICSVLDFBGU-ROUUACIJSA-N 483.635 2.566 30 10 JFEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCCS1(=O)=O)C1CC1 1540098936 NJSQLQDTCACAPP-UHFFFAOYSA-N 496.431 2.907 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCNC(=O)C1)C(C)C 1540152335 SAECBYSKZGTCQK-RZUBCFFCSA-N 458.651 2.832 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1540170288 MMUSBPZDAXURIU-CQSZACIVSA-N 452.378 2.564 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCO)Cc1ccccc1OC 1540858129 HXVYUTLBEGGVFI-IBGZPJMESA-N 473.574 2.780 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](OC)C1 1540899417 NQGJBGAKVMSJEH-CYBMUJFWSA-N 475.434 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1540906814 CGHOQCYJGLBHMK-PZJWPPBQSA-N 462.616 2.936 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc2c(c1)OCCO2 1545877613 HMXRRRFLAKBSHF-QHCPKHFHSA-N 456.522 2.652 30 10 JFEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1547253347 DVBJTEPHBMEFKE-NRFANRHFSA-N 464.492 2.873 30 10 JFEE COc1cc(OC)c(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)c1 1554782781 CPCDSCYTZNDJMP-UUOWRZLLSA-N 468.558 2.628 30 10 JFEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC2(O)CCOCC2)CCO1 1555994012 DSNJCXHTSCDHOR-MRXNPFEDSA-N 482.368 2.824 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2ccc(Br)s2)c1 1561538196 XWNKBAYVYQPCRM-UHFFFAOYSA-N 459.387 2.610 30 10 JFEE C#CCOc1ccc(CNS(=O)(=O)c2cc(Br)ccc2OCCOC)cc1 1561578288 JPSXBWSIJLHTHM-UHFFFAOYSA-N 454.342 2.965 30 10 JFEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1587787482 OCEVJVCPPXCQTN-HSZRJFAPSA-N 464.614 2.712 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1588871477 FEPCMCSFLNJAHW-RDPSFJRHSA-N 451.571 2.602 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1588923635 HESHOSRPSMBSJV-QHCPKHFHSA-N 463.630 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](OC)[C@@H](C)CC)CC1 1588924033 UOTXQTJROZOIHR-UWJYYQICSA-N 491.596 2.621 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1589036393 FWPLHMNVEKSMSB-UHFFFAOYSA-N 482.610 2.947 30 10 JFEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1589069587 MBANDVRHTRJAIG-RTWAWAEBSA-N 489.667 2.627 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1589097488 QIRZCSRRHLRJBN-MRXNPFEDSA-N 457.629 2.871 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccccn2)CC1 1589492904 DWBZBQLMEHXNNX-SJBKTWHCSA-N 456.591 2.705 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1589579411 KYATYYINLSBMDY-ZKPZVSKHSA-N 477.650 2.529 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1593763480 LTYBMXVDDSAHBH-VWLOTQADSA-N 477.569 2.807 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCCO1 1595099501 COYNSGSARATCEC-REWPJTCUSA-N 455.584 2.814 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(Cc2cscn2)CC1 1595477490 VOLKGJJKIKKEKW-QGZVFWFLSA-N 485.589 2.638 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CNC(C)=O)CC1 1595489319 FGPHMYUIUADFHS-UHFFFAOYSA-N 493.381 2.501 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(N3CCN(CC)C3=O)CC2)cc1 1595608597 UPDIYNBNNRYWMT-UHFFFAOYSA-N 495.628 2.756 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1595789481 TVWLQKLTPVEDAI-SFHVURJKSA-N 470.599 2.735 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@](C)(O)C2CC2)C1 1597461972 HHUYNEHQFGBURF-GMWOSMDTSA-N 462.570 2.996 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1613428597 ABIKZGQVGSCCNF-WMLDXEAASA-N 450.465 2.889 30 10 JFEE C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1623247420 YLFQLAWAFFGBQC-UHFFFAOYSA-N 453.474 2.539 30 10 JFEE C#C[C@H]1CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)C1 1640186548 MAXHXSZOPBJDES-YOEHRIQHSA-N 459.431 2.721 30 10 JFEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)Cc1ccc(F)cc1 1653274571 KJNGGYTXMPGEHQ-DEDYPNTBSA-N 452.511 2.509 30 10 JFEE C#CCN(C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1684726003 FLEYGGWIAJRPBW-LBPRGKRZSA-N 455.911 2.678 30 10 JFEE C#CCN(C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)[C@H]1CCS(=O)(=O)C1 1685375895 BGAGRPRDYDHMCD-SFHVURJKSA-N 458.490 2.611 30 10 JFEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689895092 IZMBYURLEUPXTR-XMMPIXPASA-N 452.534 2.626 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1689926402 OXABTCFYKPANQN-GOSISDBHSA-N 484.626 2.909 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1689990971 UBRRIXJDYVLUDL-SFTDATJTSA-N 487.626 2.769 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689997073 VKAQDERDOHITEI-FQEVSTJZSA-N 458.632 2.737 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCc1ccccc1 1690046780 GYJLFSZKANKLSP-UHFFFAOYSA-N 496.619 2.622 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC 1690092540 MEROJLUDNLLDBS-WOJBJXKFSA-N 477.606 2.525 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498.584 2.883 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690663596 BDZQZAIQONFNEG-DEOSSOPVSA-N 452.559 2.576 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690681758 ZVKHKRVBZSHGDX-UHFFFAOYSA-N 490.612 2.763 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 1690778759 IPOGBYWHKLYSDK-UHFFFAOYSA-N 496.612 2.762 30 10 JFEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1693863759 AKIKQEFDFYCLCB-MRXNPFEDSA-N 454.966 2.561 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1693964966 DRDXKPTYACTXAO-XMSQKQJNSA-N 477.617 2.565 30 10 JFEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1696295974 HEEUDGSEKXQQPN-OAQYLSRUSA-N 466.586 2.993 30 10 JFEE CO[C@@H](C)c1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)cs1 1697102506 ATXPFSSBGGJDCV-YJBOKZPZSA-N 486.623 2.900 30 10 JFEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C1 1697211223 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CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@]23C(=O)N(C)c2ccccc23)cc1 102552996 YFCMRWWXVDSNMH-MCQUKTMOSA-N 477.561 2.979 30 10 JFEE COc1cc(OC)cc(C(=O)/N=c2/c(C#N)cc3c(=O)n4cccc(C)c4nc3n2C[C@@H]2CCCO2)c1 102919515 KSXIWFLQGCUCEX-SQEVGAHWSA-N 499.527 2.767 30 10 JFEE C=CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)S/C1=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1 104058677 ITKZBSRUJFWEBR-RXFRRRPYSA-N 470.488 2.764 30 10 JFEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c(C)c1 253562732 DPVQWGHQKOBCAK-ZVBGSRNCSA-N 485.486 2.602 30 10 JFEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 585673609 KIVQMMYDQJDBHZ-OYTWNCQLSA-N 470.485 2.960 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cc(C)c(OC)c(C)c3)c2=O)c1 726582795 RSODPLGYOYCHDK-UHFFFAOYSA-N 471.582 2.533 30 10 JFEE C#CC[C@@H](NC(=O)[C@@](CC)(COC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757299430 OOCUAXKEHMTRPZ-ATIYNZHBSA-N 464.518 2.913 30 10 JFEE C=CCC[C@H](NC(=O)[C@@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757432264 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454.293 2.759 30 10 JFEE CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)Cc2ccccc21 1211430583 CPYSPNQVLHFPAM-UHFFFAOYSA-N 459.471 2.548 30 10 JFEE C=CCN(C(=O)Nc1ccc(OC)cc1I)[C@@H]1CCS(=O)(=O)C1 1217416072 ZGAZUIDGBWFEEO-LLVKDONJSA-N 450.298 2.507 30 10 JFEE N#Cc1ccc(CNC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1Cl 1221188916 COJGKAZPEAGEGV-UHFFFAOYSA-N 455.946 2.872 30 10 JFEE CC(C)(C)OC(=O)NC1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1228441814 HEEQNYBHPAMNJU-RDHHWEPZSA-N 451.568 2.881 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCc2nccnc2C)c1 1286310324 SXHFOPKLHBRGCF-UHFFFAOYSA-N 452.522 2.737 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286323575 KPYCFXFLWZBAJX-INIZCTEOSA-N 450.996 2.675 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286392248 LEYYQNPUQLNGNX-BWKNWUBXSA-N 482.606 2.581 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286398080 WDCYFHVQJHHIFG-PIBDYAPNSA-N 486.638 2.597 30 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C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1286538037 LJXPLRVVQIYJFE-QGZVFWFLSA-N 498.447 2.804 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1286556652 RDKPNKYCWCVZMC-BJLQDIEVSA-N 452.621 2.555 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286598337 GHRSGWZYIJJNRV-OAQYLSRUSA-N 482.629 2.965 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286605270 UJSXKBXTLAMXBE-CTNGQTDRSA-N 460.600 2.947 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286622358 GADFZTAXIDTASE-SFHVURJKSA-N 476.990 2.511 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286793488 GJVHYTMFEUUYEV-FYYLOGMGSA-N 494.640 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286821316 HCOJGVWGPRBBLH-UHFFFAOYSA-N 489.642 2.835 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2[nH]c3ccccc3c2CC1 1286823615 PEYIZLPVURAEQR-INIZCTEOSA-N 474.656 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1286824079 VAUDZZLPLIEJTO-IBGZPJMESA-N 487.655 2.913 30 10 JFEE CCN(CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1295805628 GIGNVYIRGXENGQ-KRWDZBQOSA-N 478.594 2.969 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccs1 1298324804 AXMNFCOQXSWIAG-UHFFFAOYSA-N 486.561 2.925 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300322177 RFUMPTUODIBLPM-BBTUJRGHSA-N 475.590 2.658 30 10 JFEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1300410321 MQFQYSZTYFZZOS-NRFANRHFSA-N 450.587 2.519 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1300457304 ARAXUIOQBKCYSF-LJQANCHMSA-N 460.623 2.573 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc(C)s1 1300641897 FCWNFERPVYOTKW-JOCHJYFZSA-N 456.547 2.917 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1300707803 KEDJVKCSPGLOGW-XMMPIXPASA-N 499.040 2.586 30 10 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10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 1301458309 RBEUDYRXIKXLBT-QGZVFWFLSA-N 451.568 2.608 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](CCC)C1 1301501441 XDGSVPHPEOPJJN-LJQANCHMSA-N 476.622 2.700 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)C1 1301558359 VEVSGEAVTJLQSC-JSXRDJHFSA-N 479.691 2.718 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(=O)N(C)C)c1 1304287894 AQJNRHOXZOPGMQ-UHFFFAOYSA-N 488.596 2.546 30 10 JFEE C[C@H]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1304969828 CSVSMSAHOPYCOK-CMKODMSKSA-N 472.615 2.635 30 10 JFEE CS(=O)(=O)Cc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC(CC#N)CC2)c1 1316341045 DSLRSUQFUBARHV-UHFFFAOYSA-N 464.595 2.987 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1358883638 YZPGCRWHTBPJAF-HNNXBMFYSA-N 459.597 2.760 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1358930033 MQBOOHJNHXNDQK-HKUYNNGSSA-N 479.647 2.723 30 10 JFEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358934260 VJCMHXBJZBCPLK-HXUWFJFHSA-N 461.570 2.977 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1358956636 ISDNHNCFNFYEQW-RBBKRZOGSA-N 496.637 2.926 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1359015037 FVCZKODOKDKNGM-SFHVURJKSA-N 495.584 2.558 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359039327 DRYFQQHYCVZISQ-QHCPKHFHSA-N 466.630 2.741 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(CCC)C2)CC1 1359043329 QEHIPAIINGYWHZ-IBGZPJMESA-N 452.578 2.782 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359103980 WFUMQQNFXOHCEU-VCOUNFBDSA-N 460.600 2.770 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1359113447 JDLWDXKAEHFFLV-VQTJNVASSA-N 482.695 2.524 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359130511 MJIUNXSVDAKHTF-UHFFFAOYSA-N 467.618 2.504 30 10 JFEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1359139871 HFONTCCYSHWRCW-UHFFFAOYSA-N 466.611 2.885 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1359213906 LGOQDTHEACGNKJ-UHFFFAOYSA-N 451.531 2.530 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(=O)N(C)C)CCCC1 1359279803 TWUCTURRCLHUII-UHFFFAOYSA-N 455.559 2.961 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(C)C(=O)[C@H]1C 1359294789 FDDZVZMRFRZTRM-OAHLLOKOSA-N 468.558 2.782 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359295568 GTLKMKKRCJNHPW-KDOFPFPSSA-N 478.391 2.880 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCOC2)C1 1359329423 IVNOUQBGTPCODI-FQEVSTJZSA-N 481.416 2.925 30 10 JFEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(N(C)C)CCOCC1 1359716440 HWRVHDOQXIAIOO-UHFFFAOYSA-N 455.582 2.850 30 10 JFEE C#C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N(CC=C)c2cccc(C(F)(F)F)c2)c1 1450357395 XQWYMZGBHBDJLU-KRWDZBQOSA-N 452.454 2.811 30 10 JFEE N#C[C@H](c1ccc(F)cc1)N1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 1459928526 BARMLGLHPBESIM-XMMPIXPASA-N 453.537 2.886 30 10 JFEE C#C[C@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)cc1 1477377608 NZWXBMIZXVFYAM-YOEHRIQHSA-N 459.266 2.996 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CC(C)(C)CN(C)C)n1 1492752900 FIQIHRUOGXERRF-UHFFFAOYSA-N 489.672 2.921 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1499986479 GVJGGTUSDCJTKC-KNQAVFIVSA-N 477.613 2.960 30 10 JFEE COCCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1504742223 HBXLGPRKVIUHTB-QHCPKHFHSA-N 453.522 2.697 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COc2ccccc2O1 1507540437 ZKRDYEMWPSURMY-OTWHNJEPSA-N 483.569 2.884 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCOC[C@H]1CCOC1 1507547505 LTLXLEUVMSKHTO-WTGUMLROSA-N 461.607 2.950 30 10 JFEE C#CCCCn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507596109 CJMNLWBRUYENDP-NWVWQQAFSA-N 459.591 2.836 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1507635909 WDUJSXZDQXKYPF-IBGZPJMESA-N 485.635 2.594 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507667969 SUNZHOAYSJKIJF-PMACEKPBSA-N 487.608 2.945 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cn2ccsc2n1 1507692262 VMDILJKADCGZOX-KRWDZBQOSA-N 471.587 2.804 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(C)C 1507713018 WICOTIYDEVQJHI-DYESRHJHSA-N 450.543 2.741 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1507720015 DBSCQQJLGJLKTM-GOSISDBHSA-N 484.601 2.631 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)C(C)(C)C)CC1 1507720266 UAVGHCXHQIFOKU-UHFFFAOYSA-N 480.638 2.770 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1507726653 CZKZBZWRWUOBBQ-HSZRJFAPSA-N 479.654 2.701 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2nccc(C(F)F)n2)CC1 1507740144 IWYGGOVISRLPSE-UHFFFAOYSA-N 495.534 2.641 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2SCCc3ccccc32)CC1 1507740893 HCLPIRFDBMRTSF-NRFANRHFSA-N 453.612 2.811 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1NC(=O)NC1=O 1507761417 GIKZTSNNTJDFMX-HXPMCKFVSA-N 477.388 2.749 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1507801258 SNRNRAAYRINJMI-OPYAIIAOSA-N 454.531 2.798 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCOCC1 1507985652 LJNMJKAAYHYUMY-UHFFFAOYSA-N 466.611 2.772 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508073780 MLMFAQJNSHKXPR-MRXNPFEDSA-N 460.941 2.631 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](C(=O)OC)C3)nnc2[C@]2(OCC)CCOC2)cc1 1508104570 LUQSQDNWVQIENH-NLFFAJNJSA-N 470.570 2.933 30 10 JFEE CC[C@@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1)OC 1512749169 CJVMLTKFOQFOOZ-UTKZUKDTSA-N 474.631 2.786 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CCN(C(=O)OC)CC1 1513024120 DGFYBPIDMKCRKE-MSOLQXFVSA-N 481.605 2.647 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(N3CCOCC3)CCCCC2)c1 1539045700 IDAMQELYQQVVRO-UHFFFAOYSA-N 494.640 2.906 30 10 JFEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539078160 UOPUMQKDZWAERA-UHFFFAOYSA-N 462.602 2.950 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1539094546 RNUPKZWMQVDHMK-CRAIPNDOSA-N 496.431 2.642 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H](C)N1CCCCC1 1539190944 XPRRPDJBKLNGNO-DEOSSOPVSA-N 463.674 2.977 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 1539219549 DIFKIOSOJMKMBI-RBBKRZOGSA-N 472.611 2.982 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCn2ccnc2C)CC1 1539470158 YOHQMTBPQPMUOZ-HSZRJFAPSA-N 459.598 2.991 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539504333 DRNSGFXRRDEODB-UHFFFAOYSA-N 490.077 2.740 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539599634 BJESUYRJVBUEJG-OAQYLSRUSA-N 496.413 2.521 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539623719 NVOYAXIOFODSFM-YADHBBJMSA-N 484.626 2.564 30 10 JFEE C=C(C)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539723702 YDJLPNCFGLIIOR-KDURUIRLSA-N 495.632 2.865 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(C)c2ccccc2F)CC1 1539874756 OZTJBWWVBMTWSF-KRWDZBQOSA-N 464.611 2.956 30 10 JFEE C=CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539975284 QKULRRJIDZLVGL-CEXWTWQISA-N 473.622 2.961 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1540874743 QMKXLAXHBFHQOT-SFHVURJKSA-N 468.602 2.549 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1540895211 NGJJXSBPYAVYQL-OALUTQOASA-N 474.606 2.581 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(F)(F)CC1 1540899989 HUGFTKRBWTUJKV-UHFFFAOYSA-N 456.515 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC)C1 1540901380 BIZJZGVYKLQZIM-GOSISDBHSA-N 484.626 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1540902669 OEKIZINZEVZFOR-OAQYLSRUSA-N 491.633 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1540902879 SWILCTSDKZNVSG-NHCUHLMSSA-N 476.599 2.707 30 10 JFEE CC(=O)N1CCc2c(sc(NC(=O)c3csc(I)n3)c2C#N)C1 1540917943 HGQJVAISCKHTQT-UHFFFAOYSA-N 458.306 2.838 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C)C(=O)OCC 1557934450 KGTXQGZQIJJBHL-GOSISDBHSA-N 454.932 2.871 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)cc1C(F)(F)F 1561922884 AXTPPPDTYNLULU-JTQLQIEISA-N 453.368 2.772 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)n1 1568521686 HOGLYYMTWIEQGP-UHFFFAOYSA-N 452.536 2.606 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1587639381 LELYGSITSCCJDI-QZTJIDSGSA-N 460.575 2.526 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1587798666 QCIZRDYOQMMMOU-ROUUACIJSA-N 458.563 2.794 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@H](C)C1 1588079197 RUQKCXYDRWRSHK-IBGZPJMESA-N 452.990 2.666 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1588595433 UDSIJAMPLINPLC-KAMJJXHCSA-N 494.621 2.744 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNC(=O)C2CCC2)CC1 1588780560 SIYJMVPJXFMOTK-UHFFFAOYSA-N 458.969 2.799 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCCN(C)C)CC1 1588898934 IEUGTPCNAORISU-LJQANCHMSA-N 498.697 2.675 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1589405519 RPIMQQOIKIGMBY-MOPGFXCFSA-N 494.459 2.800 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1593757489 GIGDEPWPIGEVKT-UHFFFAOYSA-N 467.662 2.851 30 10 JFEE C=C(Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1593800275 LMOQGPDIHNQCGY-HHHXNRCGSA-N 496.656 2.679 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1594192736 KJJVFMFCRBQBPU-SFHVURJKSA-N 484.630 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595798844 UOOBAFAXBONSGM-QZTJIDSGSA-N 483.635 2.566 30 10 JFEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1=O 1619927356 FFBNGSMIBOICHN-CTNGQTDRSA-N 466.586 2.563 30 10 JFEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 1621896064 GZRHMIYQQGPEMG-QZTJIDSGSA-N 451.342 2.834 30 10 JFEE C=CCn1c(SCC(=O)N2CCN(C)[C@@H](CO)C2)nnc1-c1ccc(Cl)cc1Cl 1635451084 PIQYCCRQNGHGSF-CQSZACIVSA-N 456.399 2.665 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1640286228 NDBOAVZJKCJVIQ-QGZVFWFLSA-N 454.527 2.945 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)C1=O 1649182803 OEPPFFHWBOXTCI-UHFFFAOYSA-N 455.780 2.664 30 10 JFEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)c1 1659636959 MYBVSTMXZRIILL-UHFFFAOYSA-N 457.335 2.917 30 10 JFEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(Cc3ccc(O)cc3)CC2)cc1Br 1665645552 GNGNXJHHCKTQAR-UHFFFAOYSA-N 454.321 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)c(F)c2)CC1 1690146537 PZKCWKHSCCUQOX-OAQYLSRUSA-N 455.534 2.682 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690148304 BXRWVQICQNRTOD-FGZHOGPDSA-N 477.657 2.598 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccsc2)CC1 1690150295 BVWCNCQWEMSXDM-UHFFFAOYSA-N 454.625 2.904 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1690157990 USCKIQCKLZRKAX-HOTGVXAUSA-N 462.645 2.527 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690183927 ATTGMPNRWYCHQG-QGZVFWFLSA-N 485.589 2.937 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1690254143 YDBBIVHCVSKGGH-NMMYMHLASA-N 469.586 2.952 30 10 JFEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690415436 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C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749107035 NRQKRGNBUAKAFT-UHFFFAOYSA-N 488.415 2.660 30 10 JFEE C=C(Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 1749242159 DHDVJVZAGSVMQC-UHFFFAOYSA-N 461.614 2.987 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1c(C)nn(C)c1C 1749264614 ASKBPZNXIROYHR-UHFFFAOYSA-N 452.950 2.931 30 10 JFEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(OCC(N)=O)CC1 1749427309 OTKUOUWJMCFLBY-UHFFFAOYSA-N 476.622 2.830 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1749460995 LPGZPOGPDQLBRA-ROUUACIJSA-N 462.595 2.658 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749473817 RLQJWPSPXWEDPR-CQSZACIVSA-N 454.394 2.611 30 10 JFEE C=CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1749494197 IHYJLGSODPAVAP-HOJAQTOUSA-N 454.575 2.911 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1749572676 ADYFQZQSNHUDBS-UHFFFAOYSA-N 464.570 2.785 30 10 JFEE 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30 10 JFEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)ccc1OC(C)C 1874434947 GCBCZXFUAGTKSS-YSURURNPSA-N 477.587 2.884 30 10 JFEE COc1cc(OC)c(OC)cc1/C=N/n1c(C)nnc1SCC(=O)NCc1ccccc1 1874533768 ALQXSMXLUGXNNS-ZMOGYAJESA-N 455.540 2.903 30 10 JFEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(NCCOc3ccc(OC)cc3)ncnc21 1875232415 HRTUJCPEGUHGLM-UHFFFAOYSA-N 451.527 2.714 30 10 JFEE CC1(C)OB(c2ccnc(NC(=O)c3cc(I)sn3)c2)OC1(C)C 2056482516 VOSMILFBYUGYQW-UHFFFAOYSA-N 457.102 2.694 30 10 JFEE Cc1nc(I)c(NC(=O)c2ccc(C#N)cn2)c(I)n1 2178374431 XTVSNTNONZVRGY-UHFFFAOYSA-N 491.030 2.513 30 10 JFEE CN[C@H](C#Cc1ccccc1Br)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2235731139 LLBFCGBBPLGBEK-IAGOWNOFSA-N 459.406 2.717 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@@]2(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2237020550 AIGDTXPNNJPNLK-PMOFOFCMSA-N 462.396 2.953 30 10 JFEE CC1(C)OB(c2cc(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)ccc2F)OC1(C)C 2247768736 XOLLMVMZDWRJPA-UHFFFAOYSA-N 454.307 2.876 30 10 JFEE 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C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539751447 NOIOMWIRFMLOMY-DHIUTWEWSA-N 455.603 2.968 30 10 JFEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1539767291 PWCSYXNJVNBNNN-UHFFFAOYSA-N 464.614 2.851 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CC1CCS(=O)(=O)CC1 1540180404 NARMTZNZVVQQMO-UHFFFAOYSA-N 452.584 2.795 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2OC)C1 1540881661 PCVAHNORPCYFKV-RBUKOAKNSA-N 455.559 2.772 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1540887338 VHBSCHJVEWWCDL-MHECFPHRSA-N 455.559 2.612 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2c(C)cccc2C)C1 1540892248 INSFYHSZVVWMPL-PMACEKPBSA-N 460.600 2.657 30 10 JFEE CC[C@@H](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 1543734018 CGJONOUDAIRMNX-GGAORHGYSA-N 451.571 2.867 30 10 JFEE Cc1cc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(N)=O)C2)ccc1Cl 1548367474 CHUCOUONDZNWAS-GOSISDBHSA-N 486.903 2.904 30 10 JFEE C#CCC1(O)CCN(C(=O)NCCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 1564063391 RMOIVJYAOLVMIF-UHFFFAOYSA-N 451.523 2.886 30 10 JFEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@H]2O)c1 1569142734 HYGFRUHYOBWIAO-RTBURBONSA-N 470.469 2.576 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO2)c1 1587689535 KFTOGRJNDWARLD-BWKNWUBXSA-N 467.570 2.554 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2csc(C)n2)c1 1587689561 LGKGOAJLWPRGDT-UHFFFAOYSA-N 458.551 2.799 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588041009 UBGQUEYKJBDSSQ-IBGZPJMESA-N 491.061 2.742 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cccs1 1588189152 DUECMBXEZOHSCR-UHFFFAOYSA-N 471.384 2.990 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cc(C)nn1C 1588229159 RPDXOIXWEFLJOF-UHFFFAOYSA-N 465.602 2.946 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588387549 VLYSJMCVHCMRPC-SFTDATJTSA-N 480.661 2.799 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1588780349 MOJIBYBTCYWUGK-UHFFFAOYSA-N 498.678 2.611 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1588864854 KXHACVCAWVILEZ-DENIHFKCSA-N 484.670 2.866 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1589070315 SFFHPIXDNJNFNQ-JOCHJYFZSA-N 450.612 2.732 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1589459633 ACEWLNCTIGMHSP-RXVVDRJESA-N 494.438 2.964 30 10 JFEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1594784427 ZIGPKDIIHNTIKT-UHFFFAOYSA-N 467.574 2.785 30 10 JFEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1594802998 KPEJXGFAILKCRI-UHFFFAOYSA-N 456.576 2.583 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595854551 FVVOOONZFIMIIH-XXBNENTESA-N 484.670 2.862 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(C)(C)CN1CCCC1 1608562841 DCVBHKWWACZIRK-UHFFFAOYSA-N 478.645 2.737 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H](c3ccccc3)N(C)C)CC2)c1C#N 1612469747 FGFVOGKLPTZLES-QFIPXVFZSA-N 461.618 2.945 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1614348904 DXZIIOMTYALCBC-IFMALSPDSA-N 479.629 2.528 30 10 JFEE CC(=O)OC[C@H](OC(C)=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C 1616048824 JQDHIKLIVNETFX-HSLKOAHSSA-N 466.546 2.807 30 10 JFEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1619712010 CRAPFRZTZSSAMU-HXUWFJFHSA-N 478.519 2.943 30 10 JFEE COC(=O)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)Oc1ccc(Br)cc1 1623784551 AAIXBZRLHISRSL-QFBILLFUSA-N 456.296 2.740 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c1 1631532653 UDSAIPAGDPLASK-UHFFFAOYSA-N 455.363 2.930 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1 1633535393 ARAJTHOVEYONAU-QGZVFWFLSA-N 451.470 2.626 30 10 JFEE C=C[C@H](COC)NC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1634542621 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CC(C)(C)OC(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1691268836 DQFRCFMEPWPGFP-VGSWGCGISA-N 458.494 2.757 30 10 JFEE CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1692018146 GFFIJIGNWWRNRU-PZJWPPBQSA-N 457.600 2.891 30 10 JFEE CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1692437471 BTZMTUDGXJPYJE-UHFFFAOYSA-N 482.585 2.663 30 10 JFEE CCNC(=O)c1cccc(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)c1 1695931456 HWJRHHCQAAODGY-KRWDZBQOSA-N 494.625 2.632 30 10 JFEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1Cl 1696599181 CIZAIMDYNXQHCQ-FQELHTAISA-N 480.997 2.578 30 10 JFEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705526877 NGMXFTDDQXMRQY-UHFFFAOYSA-N 468.359 2.708 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705565527 IXFXBOJYXBQJOJ-UXHICEINSA-N 464.632 2.743 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705569851 HMRUUQPWQLCSCQ-OALUTQOASA-N 460.600 2.579 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1705674327 FSTCARKNCNDWKW-WZONZLPQSA-N 479.647 2.694 30 10 JFEE C=CC[C@H](Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccccc1 1705795339 HSKWSNHEXUNANR-HXUWFJFHSA-N 456.572 2.586 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705824880 CSDAAMCKFCLOPV-UHFFFAOYSA-N 481.601 2.747 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1705859644 VYGQRQKVAGLBGX-JWQCQUIFSA-N 455.603 2.578 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1705869088 LNVAOAQBVYAMHW-OAQYLSRUSA-N 464.614 2.962 30 10 JFEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705886891 VJFNVDZBCSQHDY-JXFKEZNVSA-N 460.529 2.721 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705895863 VLINZEHCYYFXHR-SZNDQCEHSA-N 494.365 2.533 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705932397 SOPMWDYJALUNLX-UHFFFAOYSA-N 490.630 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30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccncc1 1722656978 MXXRCPOSVNHDHG-JOCHJYFZSA-N 462.579 2.882 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722683257 JBYAEMDXDOZPQP-UHFFFAOYSA-N 450.561 2.560 30 10 JFEE C/C(=C/c1ccccc1)CN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1722786675 XRPOURAFFLAXSI-OKKWMQFXSA-N 470.537 2.801 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(Cl)cc1 1723611835 DGULZOGIQDSBKP-UHFFFAOYSA-N 478.988 2.906 30 10 JFEE CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1OC 1728210603 DQHCSZPWECEYQB-XARZLDAJSA-N 459.522 2.724 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CC)c1 1740561380 DLLXJWMTPJKTSO-HOFKKMOUSA-N 494.640 2.861 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2cccs2)c1 1740561916 HFWZLAPUWHPEIW-UHFFFAOYSA-N 462.579 2.875 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1740576105 XRNWTGVSMXVOCF-FGZHOGPDSA-N 455.628 2.694 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XGLYRGOUASDLJQ-UHFFFAOYSA-N 462.619 2.816 30 10 JFEE Cc1ccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1C 729670957 AETAKPKUKXBNAY-UHFFFAOYSA-N 483.597 2.725 30 10 JFEE CC#CC[C@@H](NC(=O)CCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757203737 ZFVIWFYMTLYZMT-HSZRJFAPSA-N 464.518 2.915 30 10 JFEE C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)CCN2S(=O)(=O)CC)[n+]1cc(O)ccc1C 920483043 HIEKHOMJWRCCHT-UHFFFAOYSA-O 460.601 2.687 30 10 JFEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCC(=O)N(C)c3ccccc3)C(=O)[C@]12C 1075950148 LAFAKBLVPQUXAN-HEPAGWHJSA-N 490.512 2.821 30 10 JFEE COc1cc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc(OC)c1 1084193943 MKTJYUIUGCEEGE-UHFFFAOYSA-N 458.548 2.739 30 10 JFEE CCN(CC)c1ccc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c(O)c1 1084283368 MKXCLKWLEUXWFP-UHFFFAOYSA-N 497.581 2.940 30 10 JFEE O=[N+]([O-])c1cc(C=NNc2nc(=Nc3cccc(Cl)c3)nc(N3CCOCC3)[nH]2)ccc1O 1084587437 MZMAKWOJFWTOMV-UHFFFAOYSA-N 470.877 2.587 30 10 JFEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 1154248926 FMSVTFUAGVAYCJ-INIZCTEOSA-N 456.351 2.662 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286279921 RHHWINHEQHOGAO-IEBWSBKVSA-N 476.585 2.921 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC(F)(F)F 1286280277 WLWOGKDNLWGTGI-AWEZNQCLSA-N 459.494 2.580 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)N1CCOCC1 1286283203 UATQLPBVOMEFEI-HOTGVXAUSA-N 462.392 2.895 30 10 JFEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286333537 KGCCSMPZQLXVLR-HXUWFJFHSA-N 468.627 2.850 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1286385125 UJSXNRRCGXECBD-NQIIRXRSSA-N 495.443 2.885 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1286397196 RXDNYVZYZOCMSX-PGRDOPGGSA-N 481.018 2.688 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286403582 MIAMARODRICSQJ-QGZVFWFLSA-N 461.488 2.919 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1N(C)CCCC1(C)C 1286414002 PZTGRFMHKDVUPI-QFIPXVFZSA-N 460.630 2.645 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N(C)C)CCCC1 1286415208 LPJAIARSNKPMTC-BGYRXZFFSA-N 454.619 2.996 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286424227 TVTXGZSFIYVJMM-SIKLNZKXSA-N 469.586 2.751 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286464006 PIQCKACOIPTGRP-MRXNPFEDSA-N 457.531 2.673 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)[C@H](C)[C@@H](C)O3)CC1 1286470198 USUVTXLUZHUZLV-RTBURBONSA-N 464.614 2.884 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(N(C)C)CCCC2)CC1 1286472687 BDXALIOZBUSUDP-UHFFFAOYSA-N 452.603 2.592 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2[C@@H]2C[C@H]2C)CC1 1286488258 LXAYUQZZBFTJRK-CRAIPNDOSA-N 453.543 2.518 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1286489952 DTDKXTHNCYJRQB-UHFFFAOYSA-N 468.602 2.689 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1286522135 HTWRKMJMINFSGL-BXKMTCNYSA-N 485.589 2.767 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1286565704 KHLFLJANICORGB-HRAATJIYSA-N 490.402 2.879 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286612627 IFAFDDLQVPGRMV-UHFFFAOYSA-N 496.641 2.596 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286675798 UCEJZRXBXRIQDT-OAHLLOKOSA-N 456.513 2.508 30 10 JFEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286787129 OVTOUYJZAYNMOW-INIZCTEOSA-N 465.558 2.832 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286792300 UGJFDFABAKQILB-IBGZPJMESA-N 491.621 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286823490 OSZDRVQAQZUYFV-FQEVSTJZSA-N 484.626 2.802 30 10 JFEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1)C(F)(F)F 1288751061 HWHBEIOKHMRYPG-WIYYLYMNSA-N 491.562 2.736 30 10 JFEE Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c(OCC(F)(F)F)c1 1289674373 DFDXKYZKSFIRPY-INIZCTEOSA-N 459.432 2.762 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC)c(OCC)c1 1300307207 CLDKAGYIMBICRK-HKUYNNGSSA-N 460.600 2.678 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccnc(OCC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1300482417 FIWGTXPFCFSJBL-FXAWDEMLSA-N 457.600 2.650 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300485117 XCLIJVIGBPYXLM-HKUYNNGSSA-N 480.537 2.742 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300485405 VWQVQHUTQYYJCJ-SFTDATJTSA-N 485.654 2.752 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)C 1300527768 KRHCYWYPJJRTNE-WMZHIEFXSA-N 458.566 2.716 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(N(C)C)CCSC1 1300569870 VCSOOJWXBGDLSH-DEOSSOPVSA-N 453.612 2.863 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCN(C)C)CC1 1301125828 QMHYBZPSUJVFQR-FQEVSTJZSA-N 478.638 2.567 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1301497201 ROLDNDDJNSPIDD-UHFFFAOYSA-N 493.999 2.957 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1301501251 UETASDDVDGRYLM-IBGZPJMESA-N 469.586 2.834 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301508437 LOUZBJSUUPTXHS-HSZRJFAPSA-N 495.546 2.904 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCN2CC)C1 1301557282 OBEUFHPHAHEYBE-NJYVYQBISA-N 490.649 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](C)C1 1301595884 DFQHOPOLBQJXJM-KSZLIROESA-N 483.635 2.565 30 10 JFEE C#CCN(CC(=O)NC1(CCOC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1302868483 NXUGFNDHRQPATR-UHFFFAOYSA-N 453.580 2.779 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1358885401 JMOJPQUSBMYMSN-QGZVFWFLSA-N 457.538 2.975 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)C(=O)OC(C)(C)C 1358890413 OTWHDHYIFUOTQA-SFHVURJKSA-N 468.606 2.777 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358959189 DHNYTKSPWDIPDS-UZLBHIALSA-N 483.594 2.989 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC(C)(C)C1 1358990757 AIPBHEXDFUKKMD-UHFFFAOYSA-N 457.582 2.705 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(S(C)(=O)=O)CCC1 1358997307 NNKCIBNIHZGHDY-UHFFFAOYSA-N 454.596 2.904 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2coc(-c3cccs3)n2)CC1 1359029763 HFXRUVJKTKTTTD-KRWDZBQOSA-N 456.572 2.522 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2ccc(C)cc2)CC1 1359040395 SRRDDQLMOGNVFA-FQEVSTJZSA-N 462.598 2.592 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1359098050 WXDDUCMNBGYKLG-MLYOOKFZSA-N 484.567 2.921 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359126608 UDSLOKBJTWJBEW-GMAHTHKFSA-N 482.629 2.897 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1359140478 CJNVFKIHECXJGH-HNNXBMFYSA-N 450.975 2.558 30 10 JFEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359151235 POZNSMWMFHMOJJ-IAGOWNOFSA-N 464.998 2.860 30 10 JFEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1359164316 LFMJWNAFSMFJAT-UHFFFAOYSA-N 499.641 2.722 30 10 JFEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359247378 ZXRRTHAFYXOWGE-SJORKVTESA-N 463.579 2.994 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1359289157 GQJJQCHCQMBMNS-KRWDZBQOSA-N 450.568 2.945 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359289552 PVILXXJEAKUARE-UHFFFAOYSA-N 484.420 2.666 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(CC1)COC(=O)N2 1359295411 ALRFPWAATGZECF-UHFFFAOYSA-N 465.341 2.633 30 10 JFEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1359951636 AJGPOKMBXFKACQ-XMMPIXPASA-N 480.548 2.965 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(F)c(Br)cc3C2)c1 1472068770 IXUANHFUALAWBI-UHFFFAOYSA-N 451.317 2.698 30 10 JFEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 1494072311 ANBPRFBCJNOQHX-UHFFFAOYSA-N 456.616 2.562 30 10 JFEE CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1496668795 GURWFKTYKXXYHC-SFTDATJTSA-N 450.591 2.612 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(O)CCN(C(C)C)CC2)c1 1507550178 HKUUZWBIFPBZQD-UHFFFAOYSA-N 466.630 2.768 30 10 JFEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507567749 SIYVNZVFDWSIDB-JOCHJYFZSA-N 463.630 2.590 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1507571608 HLMBTDZPCYOMGW-ZEQRLZLVSA-N 462.598 2.999 30 10 JFEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507576747 MKUXZWFNRSFJMT-UHFFFAOYSA-N 488.434 2.584 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507595467 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1593818814 WYBOXFQTHUIYIR-IBGZPJMESA-N 455.047 2.749 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(CC)CC)nc2)CC1 1594237847 XJAULIDGGMAKLN-HXUWFJFHSA-N 458.632 2.872 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1594454185 CWMNYKCWTNCAMH-JKSUJKDBSA-N 481.623 2.575 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1595523623 ZOHQJSZRHHCSHM-ROUUACIJSA-N 456.566 2.908 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1595530183 VWIVLIJALYDNFW-UHFFFAOYSA-N 477.525 2.907 30 10 JFEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1)C(F)(F)F 1611647333 BMVOMKYXFLVWOH-APWZRJJASA-N 496.559 2.857 30 10 JFEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1614034130 BWFIXLWIAOXXQM-NHCUHLMSSA-N 465.646 2.922 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1614356566 BOCNQAYSPPEZIM-OUDXUNEISA-N 496.612 2.665 30 10 JFEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CCN1CCOC 1614440979 DHHOUVWHEDIASG-FQEVSTJZSA-N 466.615 2.962 30 10 JFEE CCN1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)SC)C2)CC1 1615874947 ACAHUXYNZMKETF-PZJWPPBQSA-N 469.659 2.696 30 10 JFEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)ccn1 1617455133 HQCMZPPHDYLRJN-NRFANRHFSA-N 477.594 2.713 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1631002505 BWHWXKDVJNYINC-UHFFFAOYSA-N 452.536 2.924 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H](C)C3CCN(C)CC3)nnc12 1641444152 TUAVQMOUNRXXSF-MRXNPFEDSA-N 454.600 2.511 30 10 JFEE C=CCn1c(SCC(=O)N2CCN[C@@H](c3cnn(C)c3)C2)nnc1-c1ccc(Cl)cc1 1642152501 XRBYKZRGRCEROA-GOSISDBHSA-N 457.991 2.783 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1644673868 SFEFHHBYQKRCIB-JKSUJKDBSA-N 453.461 2.930 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1689847881 KJDVMTRSMMWBOB-SFTDATJTSA-N 491.640 2.931 30 10 JFEE 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C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359330708 AKGJNIZJKGKQRO-UHFFFAOYSA-N 490.536 2.662 30 10 JFEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC[C@@H]1C 1359337098 JTOWVVARUIPRQA-HNNXBMFYSA-N 450.634 2.691 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1451182924 RNUNMYVAAJNYII-UHFFFAOYSA-N 454.342 2.961 30 10 JFEE Cc1nsc(N2CCN(C(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)CC2)c1C#N 1460634315 GRQDOSQJPZHPBV-UHFFFAOYSA-N 454.483 2.957 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)ccc2c1=O 1467289714 GEBIALOGTQHMPC-UHFFFAOYSA-N 454.499 2.761 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CCN1CC(F)(F)F 1494252430 HZIKUPLBDNDISV-GOSISDBHSA-N 477.535 2.612 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1496840002 GXLVBZZJPFNOON-XMMPIXPASA-N 468.581 2.990 30 10 JFEE CCNC(=O)C1(Cn2c(-c3nn(CC)c(=O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CCC1 1502400120 AJKMAODEEZRYFL-QGZVFWFLSA-N 476.585 2.577 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1CC1CCS(=O)(=O)CC1 1504873369 FYLNTCUCPXRJBV-UHFFFAOYSA-N 494.621 2.998 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(C)c1 1507589039 UAWKIVQBHKLKDD-SFTDATJTSA-N 457.600 2.674 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507655035 ZCQAIWPWVRQISG-SFTDATJTSA-N 460.582 2.689 30 10 JFEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507745654 DQDJDQMNRXZLHQ-CQSZACIVSA-N 458.510 2.604 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1507785862 UFBMKTWHLMNHRF-PMACEKPBSA-N 476.419 2.936 30 10 JFEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507843048 QYVDEEAMYSWCKV-SIKLNZKXSA-N 452.559 2.964 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1507916042 JGTIWXSVECAYSE-HXUWFJFHSA-N 472.615 2.721 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1508003772 CZXNCMNBJRRHON-LJQANCHMSA-N 484.626 2.726 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1508144731 SRHUDOMXBHKUNS-SFHVURJKSA-N 485.614 2.755 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1508160876 JBAKUMHEZOXVLJ-SFHVURJKSA-N 477.656 2.791 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccc(C)c(OC)c1 1516591502 BGQOJYBTQSQOMF-LJQANCHMSA-N 476.585 2.751 30 10 JFEE CN(C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)CCSC1 1516987762 DNBNTPFJLNDDIE-XMMPIXPASA-N 467.643 2.736 30 10 JFEE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 1517812140 APFUVYLKCHLZSZ-UHFFFAOYSA-N 456.524 2.661 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2F)CC1 1519163957 GLBIYLWATAOGTC-INIZCTEOSA-N 479.553 2.557 30 10 JFEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)CCOCC1 1520015073 CKTLBPRSKCYLBT-UHFFFAOYSA-N 498.653 2.946 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1521055728 GUSRIGLAMLCONI-LJQANCHMSA-N 452.412 2.903 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1528001380 XSSGOSJUERFMRS-UHFFFAOYSA-N 458.320 2.702 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539097234 GRBTXFLBWJTSKG-KBXCAEBGSA-N 458.360 2.844 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1539230420 HJZCYBYQKCREPH-SFHVURJKSA-N 460.625 2.542 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCNC(=O)C(C)C)CC1 1539438498 YVVDCLXKBBKSTB-UHFFFAOYSA-N 487.446 2.934 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCSc2nccs2)CC1 1539476080 RZAYFUXTISRJFH-UHFFFAOYSA-N 455.613 2.878 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1539481872 PDSIKFJXNISZLW-PKTZIBPZSA-N 470.662 2.996 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1N(C)C 1539540762 TUKWIQINPIXNHA-RUZDIDTESA-N 493.637 2.697 30 10 JFEE C=C(Br)Cn1c(COCC)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1539608903 HASFCKLMUBSEHB-UHFFFAOYSA-N 463.424 2.982 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NC)CC1 1539637326 PIZVRJFBVIBGCL-HRAATJIYSA-N 460.529 2.590 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539773372 WQXYENADAFUOAR-WBVHZDCISA-N 463.369 2.576 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1539873981 IJBSBHYKIVPINO-QGZVFWFLSA-N 484.667 2.938 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 1539932147 WSBPSSZHSUEPRE-PKTZIBPZSA-N 493.656 2.519 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H]1CCCO1 1540866337 KIBDHKVNINPGDX-OAHLLOKOSA-N 464.364 2.634 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1540885455 JFTQHYXKHDLUBS-NQIIRXRSSA-N 454.531 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1c(C)noc1C 1540900453 WBAQYFKRXXCKTN-UHFFFAOYSA-N 473.555 2.558 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1541116007 IAIIPBZCPNJWES-LPHOPBHVSA-N 470.599 2.563 30 10 JFEE C=CCN(CC=C)[C@@H](CNC(=O)CN1C(=O)COc2cc(Br)ccc21)C(C)C 1542932031 DWRLPPLCMWWRPT-SFHVURJKSA-N 450.377 2.989 30 10 JFEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1543312220 ANZLDLVWTXQDOE-UHFFFAOYSA-N 461.517 2.945 30 10 JFEE C=CCn1c(SCC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)nnc1-c1ccc(Cl)cc1 1544114438 JCGANCXYQZFYRP-UONOGXRCSA-N 455.005 2.911 30 10 JFEE CCO[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1547841483 CMYUQZCEQUIYMT-OAQYLSRUSA-N 463.590 2.723 30 10 JFEE C#CC[C@H](NC(=O)c1cc(I)cc(Br)c1C)C(=O)OC 1556970984 OAIVTYKQRGTEEX-LBPRGKRZSA-N 450.070 2.657 30 10 JFEE CCc1ccccc1O[C@H](C)C(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 1559538816 GMTFPAQAUHOEFS-YLJYHZDGSA-N 452.580 2.899 30 10 JFEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2=O)cc1Cl 1584073689 BSGKRONXHYAQLX-RTBURBONSA-N 450.926 2.986 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(OC)nc1OC 1587579042 CHVOLXPVWZDSHG-OAHLLOKOSA-N 467.526 2.889 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCN(CC)C2)c1 1587693918 XHRGKSOHGREEDU-IRLDBZIGSA-N 450.587 2.918 30 10 JFEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1587712676 YZWKHGUIFJIBGK-INIZCTEOSA-N 468.421 2.863 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588040927 SCEIFHLHJHEIDX-WOJBJXKFSA-N 455.584 2.505 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588045013 FKTIKMZDEAAPSC-RTWAWAEBSA-N 482.610 2.643 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588074705 PUJPZCPEBTWOKD-MOPGFXCFSA-N 490.651 2.775 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588098911 CSLLDDLLVVGDFZ-LJQANCHMSA-N 476.459 2.579 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCCCC1 1588433746 SJDWZLWKZBXBSS-UHFFFAOYSA-N 477.657 2.505 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1588459477 YEGISHDYYUXROU-IBGZPJMESA-N 460.623 2.920 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(=O)NC(C)C)CC1 1588751048 IDMOZABYQSKHLX-UHFFFAOYSA-N 463.611 2.657 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2nc(C)cc2C)CC1 1588876489 BMYBCORACVCPPC-FGZHOGPDSA-N 453.635 2.856 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[C@H](O)C2)CC1 1588962286 YXUVDLICWYXHLW-GMAHTHKFSA-N 479.625 2.991 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1589027663 PVJAVYWJKQCCOA-GOSISDBHSA-N 457.991 2.770 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1593840338 GSUQECLMUMKURV-UHFFFAOYSA-N 460.387 2.831 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1595033950 TXTHUDYMPZOKAX-GOSISDBHSA-N 457.600 2.762 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 1595141461 IAFHPXBXHAHMBU-UHFFFAOYSA-N 459.664 2.696 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1595335538 UYFWUDKAPQUBEA-QGZVFWFLSA-N 471.587 2.532 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1595522635 HMVZXOAFTXMVFX-UHFFFAOYSA-N 471.487 2.988 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1595562192 PWHXDEHPUULZLL-GOSISDBHSA-N 452.946 2.877 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595594715 OMRSWSCRDOXCNZ-DEOSSOPVSA-N 471.627 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](C)[C@H]1C 1595765790 GSHDQRFTPHLMOI-CHWSQXEVSA-N 474.450 2.967 30 10 JFEE C=CCn1c(SCC(=O)N2CCOC[C@H]2CC(=O)OC)nnc1-c1ccc(Cl)cc1 1596201248 HJFHWXNUCSPSBY-MRXNPFEDSA-N 450.948 2.667 30 10 JFEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1596925105 CRSIZJSZMFFWEJ-LEWJYISDSA-N 498.653 2.915 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccco2)c1 1611998925 DWJILQQILXWZTR-QHCPKHFHSA-N 452.490 2.939 30 10 JFEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCn2ccnc2C)c2ccccc2c1=O 1615898596 HUOKKIARIBREPC-QGZVFWFLSA-N 459.558 2.866 30 10 JFEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1619417835 ICLYTKRUNFHSST-JOCHJYFZSA-N 457.600 2.832 30 10 JFEE C#CCN(C(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1628769270 QQUBXLZJGXDFCY-NFBKMPQASA-N 456.564 2.820 30 10 JFEE C=CCn1cc(CNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)nn1 1663990700 FWWDVMGFSDWFQX-XZOQPEGZSA-N 455.559 2.691 30 10 JFEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 1670227373 HIQUYKUJTDFMEF-FOIQADDNSA-N 456.524 2.812 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1689910620 LTWZIWNSFIOFHL-KAKFPZCNSA-N 494.662 2.668 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1689950750 ABSUIGHKTRQTSD-WOJBJXKFSA-N 472.659 2.633 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689979851 IJTYBLBUAWXFJT-OALUTQOASA-N 484.651 2.909 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689980558 ULZNDEFSCIYSDB-ROKPMTFOSA-N 474.627 2.823 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@H]2CCn3ccnc3C2)n1 1690109101 GXHLNNSHLWMDOJ-FQEVSTJZSA-N 464.618 2.809 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1690110650 VAPWFPLBMCXWQP-QFIPXVFZSA-N 486.064 2.593 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1690170769 PQZFWFNBOUYXNF-QGZVFWFLSA-N 452.584 2.657 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnccn2)CC1 1690183060 LNCBZWKTHMBYEL-UHFFFAOYSA-N 463.611 2.957 30 10 JFEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690467921 MQYXYGJSFKGKKG-RUZDIDTESA-N 477.569 2.900 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690470919 OVRMSOUVMHYGBT-FQEVSTJZSA-N 487.004 2.655 30 10 JFEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1690481532 IBFLBBLKFSDMIA-SFHVURJKSA-N 460.941 2.950 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C1CC1 1690572208 WQBGUMPPXMDNDG-IEBWSBKVSA-N 461.607 2.995 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690629171 HRHKXXHCTYGYDF-LJQANCHMSA-N 456.566 2.878 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](COCC)C1 1690670677 HAARAAHUHZHRIV-RTBURBONSA-N 476.622 2.558 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690674381 ZAKVDXUKHBNEBY-INIZCTEOSA-N 473.624 2.834 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(C)n(C)c2=O)C1 1690684221 AVEQRXBSYGDQMK-QFIPXVFZSA-N 476.581 2.984 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)CC(F)(F)F)C1 1690692175 SZUNVTQPJIITFL-KRWDZBQOSA-N 467.492 2.992 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690720064 ZHHVDZKLOGGTJG-UHFFFAOYSA-N 475.615 2.676 30 10 JFEE Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)s1 1693335352 ADAFXPZLUPKHHJ-LJQANCHMSA-N 486.623 2.668 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1)C1CCN(S(C)(=O)=O)CC1 1696629473 DOOMUHMFKYJWCE-LJQANCHMSA-N 492.696 2.526 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCCC1(C)C 1705481316 DRNKMRDEDWHUCK-HXOBKFHXSA-N 459.616 2.595 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705561536 QWJVOPAHMOEQEE-MJGOQNOKSA-N 493.580 2.658 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1705565214 UDYNNHACSOECRY-MRXNPFEDSA-N 470.624 2.769 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCO[C@H]1C 1705624190 SZSJCWJSVTWHFW-HRAATJIYSA-N 463.376 2.642 30 10 JFEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1705657646 LZERUSILJLVXKP-UHFFFAOYSA-N 461.639 2.965 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1705698452 USCQSHPLSPVIPX-ONTIZHBOSA-N 488.658 2.505 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1 1705699333 FPINZXYGFXXQRU-ZVDOUQERSA-N 460.600 2.806 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1705700838 YZOLHXGTZASLBY-FUDKSRODSA-N 464.570 2.735 30 10 JFEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1705726503 PQPYMKACPHHPNF-UHFFFAOYSA-N 451.619 2.659 30 10 JFEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 1705740302 HPLXFQNVMJEBIC-UHFFFAOYSA-N 469.586 2.907 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1705760344 HKPMJKKLJDMWPK-QHCPKHFHSA-N 467.058 2.678 30 10 JFEE C=C(Cl)Cn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760375 IEYDHXXSUYRWGE-UGKGYDQZSA-N 454.015 2.620 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705794475 JUNSVMBYILYBHP-UHFFFAOYSA-N 494.687 2.732 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1705800271 SHCBHWPDXNQVSZ-UHFFFAOYSA-N 450.547 2.900 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CN2CCCCC2)C1 1705895498 IPSNUYJTRDHQOJ-MRXNPFEDSA-N 476.423 2.650 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1705915153 INGQABYCLNYSJA-ROUUACIJSA-N 473.549 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@]1(OC(C)C)CCOC1 1705938516 AVKGTRCFBQWZDG-KNQAVFIVSA-N 452.621 2.688 30 10 JFEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)no1 1707293178 BOHPVQDQLFUXCA-INIZCTEOSA-N 459.432 2.666 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(F)(F)F)cc1 1712451666 AAMROIOXUAMNAC-UHFFFAOYSA-N 466.464 2.827 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2cccc(C(F)(F)F)n2)cc1 1712880251 CDICXFXPLJZKDR-UHFFFAOYSA-N 471.443 2.517 30 10 JFEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2cccnc2OCC(F)F)CCO1 1712883924 CIPUTGXQXRIVSE-QGZVFWFLSA-N 458.444 2.824 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCc2cnc3c(Cl)cnn3c2)c1 1722307451 OFSDKPPBVNWICY-UHFFFAOYSA-N 462.945 2.836 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(C)C)C1 1722339408 ULQGXLIXUDQQPZ-XMMPIXPASA-N 450.631 2.917 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1722360281 FXPVZXYFVDJKHN-NRFANRHFSA-N 481.622 2.993 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1722365296 MFKIBXXVUBYRQE-IAGOWNOFSA-N 480.606 2.917 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722365531 MQCDGBPPMLRRJW-HOTGVXAUSA-N 466.579 2.527 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@H](C)C2)n1 1722428813 BBIQHDLJBLTHHF-URVUXULASA-N 456.591 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCN2CCC)CC1 1722447941 PZHUVHYONWAWFF-VXKWHMMOSA-N 456.635 2.750 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 1722509558 NMXWEOHGMYLGNE-MWTRTKDXSA-N 475.540 2.599 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(C)c2)CC1 1722582161 MAWUEZMWLDKGDD-HXUWFJFHSA-N 463.579 2.509 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1722660020 KAJYFAJFEMDKBF-LJQANCHMSA-N 499.559 2.988 30 10 JFEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1722685301 CKEPPOOYIRZWCZ-PBHICJAKSA-N 467.389 2.707 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1722698077 BQMLOAJBTHTRLZ-BEFAXECRSA-N 463.941 2.845 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1722707236 JURYALXWAFJKGY-UHFFFAOYSA-N 475.597 2.520 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1723982835 GFMMDLKPPVVWTJ-YCRPNKLZSA-N 465.526 2.824 30 10 JFEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1729840279 CYPPNOPLQKXFKD-KRWDZBQOSA-N 469.615 2.767 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(N2CCOCC2)CC(OCC)C1 1740542734 YSVYOTHXYJMMRD-IMHYJWESSA-N 458.994 2.721 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740583522 QLXREIFRGPEXHC-UHFFFAOYSA-N 467.599 2.514 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1740628186 WCRNYGYNRGMKIH-INIZCTEOSA-N 450.992 2.814 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(OC)c1 1740638908 QEJHLOKGHOLIHS-UHFFFAOYSA-N 455.566 2.776 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCCCCC2)CC1 1740707691 MHTFBLWCUAWPLO-UHFFFAOYSA-N 494.640 2.708 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COc2ccccc2)C1 1740710124 VGLCGMWEXLBXKU-FQEVSTJZSA-N 478.578 2.576 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740762756 GDJGODVNZHHCCM-URVUXULASA-N 465.664 2.758 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(F)(F)F)CC1 1740787280 FZNIBJCHLJJTHV-CQSZACIVSA-N 453.531 2.650 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740888115 KFSIIFWCUHZQIG-ROUUACIJSA-N 462.595 2.610 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1740954299 IBMPSLZTHCZLAA-UHFFFAOYSA-N 478.944 2.610 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740962005 OWTOYUGRKVZBPL-IBGZPJMESA-N 483.617 2.649 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC[C@@H]1C 1740987793 MLIXVOAHCRVKKQ-AWEZNQCLSA-N 485.404 2.542 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCO[C@@H](C)C1 1740988247 YGGYYOWMNLSXEP-HNNXBMFYSA-N 456.515 2.763 30 10 JFEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)(C)C 1740999567 CFPICQQHXIASEQ-UHFFFAOYSA-N 479.676 2.508 30 10 JFEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCO1 1741407698 AGJIGEGDDUULNL-QFIPXVFZSA-N 468.602 2.701 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccccc1Cl 1747186735 BUVFQNXGUYPCDF-UHFFFAOYSA-N 468.993 2.951 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1nc(C)cc1C 1748651822 RGQVJNYLVPSFHW-SFHVURJKSA-N 469.615 2.557 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN2CCOC(C)(C)C2)c1 1748692218 SXWMBIJQLXIODM-UHFFFAOYSA-N 473.581 2.507 30 10 JFEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1748745827 XUCGVQDJVYLCAG-IFMALSPDSA-N 463.630 2.879 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1748807699 BKUFIDQCZLJHMU-FQEVSTJZSA-N 478.578 2.741 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1748809978 YEISMZXUOPAPGC-MRXNPFEDSA-N 460.506 2.994 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748810211 TZALXGFUMMLSMP-KRWDZBQOSA-N 496.008 2.527 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ncnn1-c1ccccc1 1748969416 UKAWHKHVXGHURP-IFMALSPDSA-N 463.586 2.912 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CCC2)n1 1748970789 SFSYEXCJMANVLJ-UHFFFAOYSA-N 454.962 2.996 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN(C)CCOC)CC1 1748983670 XZFMARUQDFFFLN-UHFFFAOYSA-N 451.402 2.585 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1749009616 KWEAKPPPXUEMJL-QTISVLPJSA-N 470.662 2.996 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749027413 YGTXCKNMORHXAX-HXUWFJFHSA-N 482.610 2.739 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1749228911 FLKQDCVDYJALHS-PZJWPPBQSA-N 481.663 2.596 30 10 JFEE C=C(Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1749247633 QPFMGNGFPCIXBU-XXBNENTESA-N 462.616 2.901 30 10 JFEE C=C(Cl)Cn1c(N2CCN(c3cnccn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749283850 CWHHILVTXBNTEK-CALCHBBNSA-N 474.997 2.918 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2SC)CC1 1749303768 OSNJKQHXODFORJ-IBGZPJMESA-N 477.656 2.846 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(N(C)C)CCSC1 1749529572 HSVRZDXYEDUDCT-XMMPIXPASA-N 467.643 2.918 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1749531030 CHQXNEHLTKPQPC-JOCHJYFZSA-N 468.627 2.730 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(N2CCCNC2=O)CC1 1749627727 XIJHOVQSYNKICS-UHFFFAOYSA-N 473.622 2.963 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749657772 FLVLEDQXQUAILS-UHFFFAOYSA-N 478.519 2.705 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749746501 ZTLQZHLFQOPCIO-CYBMUJFWSA-N 453.366 2.596 30 10 JFEE CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)N(C)C 1750692024 FJIFXIWAQFFKSZ-LJQANCHMSA-N 484.624 2.730 30 10 JFEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1751179115 DBUDMMDSHKWGMO-LJQANCHMSA-N 474.512 2.602 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1760193039 ROJSPFOCSUJRTH-WAOWUJCRSA-N 489.642 2.731 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760254935 QJHBZOZAAGMYFF-LJQANCHMSA-N 468.602 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(F)cc2)CC1 1760265240 SWSDBGPWDAOELO-UHFFFAOYSA-N 468.577 2.544 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2cccc(F)c2)CC1 1760272933 FLVJAGRYBXVNGL-LEDOBFOHSA-N 499.587 2.575 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760309901 LFUSSJSDKSWTCZ-SJLPKXTDSA-N 477.407 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CC(C)(C)NC(=O)CCN(N=Cc1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21 254704446 KTUQSTDNVVUOMY-UHFFFAOYSA-N 457.512 2.685 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1 514530245 HXBYWFJTGHHRHC-UHFFFAOYSA-N 464.547 2.691 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)CC1 523842459 BXBMUDZTBXPRHJ-COPCDDAFSA-N 473.017 2.560 30 10 JFEE NC(=NO)c1ccc([C@H](O)CNCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc1 705642763 JJOCDCKYAUDICX-RUZDIDTESA-N 460.578 2.876 30 10 JFEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1nc(C(=O)OCC)cs1 920242829 NJGKCNLYDIYWEF-LBPRGKRZSA-N 462.459 2.939 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccc(N(C)C)cc3)n2)cc1OC 1084459090 DBLIJRYVFNKWGU-UHFFFAOYSA-N 483.598 2.785 30 10 JFEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)CC2=O)cc1Cl 1124646989 CDRRJYGFMRFVRJ-KNQAVFIVSA-N 452.942 2.754 30 10 JFEE C=CCN(C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1154301716 QKXWEGPEKBILEG-QUCCMNQESA-N 459.543 2.845 30 10 JFEE C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 1198692248 ZPTRZGIOSUDBKV-OAQYLSRUSA-N 452.511 2.889 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3[nH]c4ccc(C(=O)OC)cc4c3C2)c1 1211564052 WUGMCRKJCOLQPB-UHFFFAOYSA-N 453.520 2.617 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286281583 KAHYXOSRJYOGBY-ZIAGYGMSSA-N 466.405 2.722 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@](C)(O)CCOC)c1 1286310005 VXMDUACNHKMSTH-DEOSSOPVSA-N 451.527 2.690 30 10 JFEE C#CCN(c1nnc(C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286385153 VBQAHFVNSFSWLK-HXUWFJFHSA-N 473.599 2.803 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1286386040 SWIBDPVMUWOYAX-DHIUTWEWSA-N 497.665 2.849 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286387604 SSHVDVYYOOQRMO-NHCUHLMSSA-N 483.569 2.964 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286396952 XOBVXUNXNVSWMD-JVVKFSLBSA-N 464.632 2.742 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1286399095 YKAILNPGMUYHHM-NHCUHLMSSA-N 485.610 2.543 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1C 1286458282 PATREKGNVXIMTC-UZKOGDIHSA-N 489.617 2.826 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1286473763 SVIGLQIETBEOKO-RUZDIDTESA-N 480.657 2.846 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OCC(F)F)CC1 1286478967 MTMHIDCLHHTNJU-UHFFFAOYSA-N 470.499 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C)cc2OCCOC)CC1 1286487278 UAWMXGOMHBLMRN-UHFFFAOYSA-N 467.614 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(Cl)c(OC)c2)CC1 1286491235 JOXVWGRCKAPJCS-UHFFFAOYSA-N 478.984 2.940 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286498997 CPCXINJGIYNEPT-SFHVURJKSA-N 463.585 2.623 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1286545693 AKBOPLINVYUTEZ-UYAOXDASSA-N 456.547 2.985 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1 1286612588 GZVJQTIIRVZQBW-UHFFFAOYSA-N 453.522 2.706 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1286798298 FQXIJAXSAMUFMT-AZUAARDMSA-N 460.600 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1286822294 CTLDFCVLCHBIHT-GOSISDBHSA-N 454.980 2.647 30 10 JFEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1287895763 AVQGEKXSJCKKJK-HXUWFJFHSA-N 484.612 2.924 30 10 JFEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1291104921 BURVAUZNZMLLHU-KNKQGSTJSA-N 470.643 2.951 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300499117 PJLOACNSAZMZCZ-XZOQPEGZSA-N 483.682 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1300595146 IAKJQLOKJVDIGF-NRFANRHFSA-N 491.514 2.592 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1300710458 BSDVWUOWNGGZGP-SSPYTLHUSA-N 467.614 2.960 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC(F)F)CC1 1300718904 YXDHTNGZQNVMMY-UHFFFAOYSA-N 452.893 2.589 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300742275 CUPLHGAGNIMWIG-CQSZACIVSA-N 499.481 2.762 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1300857581 FMFQRMPXKKLVBY-HUUCEWRRSA-N 482.404 2.895 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1300883708 FBPTZBZRYCFHCD-BXWFABGCSA-N 451.522 2.646 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCCS(C)(=O)=O 1300890940 WNZWBEGMGOPBBA-IERDGZPVSA-N 468.570 2.999 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1300935560 WKSXPNOKTADVIH-FQEVSTJZSA-N 488.658 2.904 30 10 JFEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301231759 PBLWCUIWRDHTAV-YKSBVNFPSA-N 477.613 2.684 30 10 JFEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)COC)CC1 1301246405 SZICZEVWICFODY-UHFFFAOYSA-N 496.381 2.734 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1301349290 NPJVBYYZMOXBAZ-FQEVSTJZSA-N 483.594 2.833 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCC(C)CC2)C1 1301535619 MREJAPGKDVQSBB-UXHICEINSA-N 453.591 2.827 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301568380 FWHCVUFBIVUMKA-ZHRRBRCNSA-N 496.033 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301587501 PXHMYMJUWSWZCG-GOSISDBHSA-N 495.045 2.897 30 10 JFEE C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1303618913 BBJVOHCMMWKJOQ-VFNWGFHPSA-N 457.581 2.625 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1313665571 FKIURUHWIOFVLQ-NVQXNPDNSA-N 482.652 2.815 30 10 JFEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@@H](C)OC)n2)C1 1314990943 GNCPVILYOARNBT-CRAIPNDOSA-N 465.583 2.991 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H](C)C1 1358875499 QWVJMHKMLYMJEB-ZWKOTPCHSA-N 457.648 2.736 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC1CCOCC1 1358891210 AQSNLZPVBLLMTG-CTNGQTDRSA-N 491.633 2.878 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358899106 HJCOIMLKFZBNHY-BRSBDYLESA-N 457.541 2.918 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1358962338 OBICJXPJIMATQD-MOPGFXCFSA-N 479.002 2.857 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358976234 VYVDRBJHCYYFML-QFIPXVFZSA-N 497.525 2.857 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1359036770 IKGZQBBYJJOCAY-UHFFFAOYSA-N 468.005 2.630 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2cccnc2OC)CC1 1359039138 YBMVKVNHTKHVQP-UHFFFAOYSA-N 497.397 2.827 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCCCCC2)CC1 1359039364 FWGJJDDNUSCDFF-UHFFFAOYSA-N 453.587 2.706 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1359043764 HRYQMGFARTZARR-DEOSSOPVSA-N 486.624 2.566 30 10 JFEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1359055912 SCXVADFJMLZGCG-UHFFFAOYSA-N 457.575 2.779 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359060047 IIWWFWGKPWZXGR-LJQANCHMSA-N 473.647 3.000 30 10 JFEE C=C(Br)Cn1c(N(C)Cc2ccc(C(=O)NC)cc2)nnc1[C@@]1(OCC)CCOC1 1359088302 HKAMZDQFKNPDBO-OAQYLSRUSA-N 478.391 2.835 30 10 JFEE C=C(Br)Cn1c(N(C)Cc2cccc(C(N)=O)c2)nnc1[C@]1(OC(C)C)CCOC1 1359088558 NMBAKCTWNIPOKD-NRFANRHFSA-N 478.391 2.963 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1359187067 AWJMHKONTFBZLO-LJQANCHMSA-N 454.550 2.933 30 10 JFEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1359287505 HBQUDAAJWPZFFY-VQTJNVASSA-N 461.588 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359330426 RGTRIQYOVGXAJP-LJQANCHMSA-N 485.614 2.604 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359339828 RZPNYKJHPNQFHT-HZPDHXFCSA-N 466.629 2.893 30 10 JFEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1435077029 DBUQLTIUBLGMBN-QFIPXVFZSA-N 454.596 2.549 30 10 JFEE C#CC[C@]1(C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1463300044 KJINZCGBPWPYHO-CDHQVMDDSA-N 478.533 2.748 30 10 JFEE COC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1463413682 AUFMTMJHCFRAAT-UHFFFAOYSA-N 455.305 2.866 30 10 JFEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cnn(C)c1Br 1463522407 ZCOBRQKFGJQWKO-OAHLLOKOSA-N 456.362 2.534 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1476223081 IGWYXYOIEFFPTK-AEFFLSMTSA-N 457.424 2.918 30 10 JFEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1478685463 GAKMJBOEUBDRDE-JOCHJYFZSA-N 453.564 2.765 30 10 JFEE Cc1nc(C)c(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)s1 1492654830 DPFVVLQMVWWPQV-HNNXBMFYSA-N 485.639 2.603 30 10 JFEE C#CCCCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507575218 SZJYTSUBBPQEJW-XMMPIXPASA-N 456.566 2.983 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507603054 KWWLWXKURVAWEX-INIZCTEOSA-N 484.406 2.616 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1507633154 BXWLOEOHXBZPDL-JOCHJYFZSA-N 472.659 2.847 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1-c1cnn(C)c1 1507713377 HTDJSTMDWRAUHL-UHFFFAOYSA-N 458.570 2.675 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccc(CO)c2)CC1 1507732295 DXYWCDJDEOKYLK-QFIPXVFZSA-N 480.613 2.646 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCOC2)CC1 1507734334 VJGDHDQBGONPKO-FQEVSTJZSA-N 478.597 2.540 30 10 JFEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507747545 DRNKPUVSAXPCNA-UHFFFAOYSA-N 470.643 2.784 30 10 JFEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507780525 CQNLFKYKMAOCNW-UHFFFAOYSA-N 491.415 2.874 30 10 JFEE 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2.699 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690255558 SQXJKRCIRWPOEN-RNHFSVANSA-N 491.633 2.969 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690311040 BMJNYDGOQRKSLT-UQBPGWFLSA-N 488.633 2.702 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690499995 IJNPPNGQJAGVFC-INIZCTEOSA-N 478.395 2.669 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C)C1CC1 1690545691 WSTDQIXUDWDPCJ-NRFANRHFSA-N 459.616 2.739 30 10 JFEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1C 1690620266 WFWLWYSZILKCTK-ROUUACIJSA-N 462.620 2.550 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690676437 ZTLPECFYYXEZCB-QUCCMNQESA-N 469.542 2.705 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(Cl)c2)C1 1690700367 RBPWMBDNJRYKKY-JKSUJKDBSA-N 454.955 2.802 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690722660 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C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cc(O)c4cccc(O)c4n3)sc2c1 1866483926 SHBVQKKKICMZLT-UHFFFAOYSA-N 456.505 2.972 30 10 JFEE COc1ccc(-n2nncc2C(=O)N[C@H](CCSC)C(=O)Nc2ccc(C#N)cc2)cc1 1866925312 AGUMNDMEKFCRLA-LJQANCHMSA-N 450.524 2.638 30 10 JFEE N#Cc1nnn(-c2ccc(I)cc2)c1NS(=O)(=O)c1cccs1 1870099077 NDJDFXPPWKEIBK-UHFFFAOYSA-N 457.278 2.606 30 10 JFEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(Cl)cc3C)cc2C1=O 1870141966 UEUFBLPOLXOPRC-UHFFFAOYSA-N 478.896 2.986 30 10 JFEE CCOc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc(C(=O)NCCN(CC)CC)cc2)cc1 1870148318 HIRBHIAPMGPSHT-UHFFFAOYSA-N 489.580 2.790 30 10 JFEE N#Cc1nnn(-c2cccc(Br)c2)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1870156605 VSLDTVCVYOVQHM-UHFFFAOYSA-N 458.188 2.970 30 10 JFEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2c(c1)OCO2 1871252930 VGMSSQDLOYEOCC-UHFFFAOYSA-N 460.490 2.776 30 10 JFEE CC(=O)Nc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCOCCO)c1 1871253737 HTBQGJSCNNPZLX-UHFFFAOYSA-N 476.533 2.878 30 10 JFEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC(C(N)=O)CC3)ncnc2n1Cc1ccccc1 1873556708 CNCYNPALEHFPHF-UHFFFAOYSA-N 458.566 2.996 30 10 JFEE C=CCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(N3CCN(CC)CC3)ncnc21 1873591856 UQCLHPZBSZBRRN-UHFFFAOYSA-N 478.597 2.749 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873593631 SRLZPIJVZSQGGW-IAGOWNOFSA-N 482.610 2.677 30 10 JFEE NC(=O)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874207874 XIDQVAIXEPTDQN-UFFVCSGVSA-N 475.328 2.999 30 10 JFEE CC(C)(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccccc2O)CC1=O 1874275194 YYNWAALQTMCQBO-BXNHQAKUSA-N 496.593 2.982 30 10 JFEE COc1cc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCC(N)=O)cc(OC)c1OC 1874357843 BREKXMBWROFJBH-BRJLIKDPSA-N 469.567 2.971 30 10 JFEE CCN(CC)c1cccc(OCC#CCNC(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)c1 1890390644 KMGWHSJFKVFRHC-HXUWFJFHSA-N 454.596 2.942 30 10 JFEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(COc3cccnc3)C2)[C@H]1c1ccc(C#N)cc1 1890419080 ATIOPCMVOCPMFK-DHIUTWEWSA-N 450.564 2.884 30 10 JFEE 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486.594 2.982 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286780384 NPEWTLATPYCUBR-QFBILLFUSA-N 469.977 2.550 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C1CCC1 1286781458 RFZROLGXUUQUIO-LJQANCHMSA-N 456.978 2.933 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCSC1 1286787972 NQYSYJGJKROGRC-DLBZAZTESA-N 464.636 2.637 30 10 JFEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1286980907 FACLUGOBEOFSDB-LJQANCHMSA-N 484.626 2.525 30 10 JFEE CC(C)NS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1288268520 FHCCVRWVRAAYNO-INIZCTEOSA-N 464.567 2.625 30 10 JFEE C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1291295999 HABGAAWOBSQFGY-QAPCUYQASA-N 456.501 2.982 30 10 JFEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C 1292194951 DNSCORNFGILQLI-OALUTQOASA-N 488.614 2.743 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300888050 HMHXMFLFXLZHGD-RXVVDRJESA-N 453.653 2.756 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300896449 FPFJRGSTTUNRJH-YDHSSHFGSA-N 490.626 2.860 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC(OCC)C1 1301270757 NPHVMWWZOYFMMQ-UHFFFAOYSA-N 479.423 2.928 30 10 JFEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1301463021 IMYAHIUEBUVBON-GOSISDBHSA-N 450.634 2.651 30 10 JFEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301468709 MCNHYCNAYLMTOM-OAQYLSRUSA-N 452.603 2.793 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301481788 PLGKHIBMUIFJKW-HZPDHXFCSA-N 484.498 2.932 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nccs2)C1 1301558779 YLYQTTDDVDGCSB-DLBZAZTESA-N 476.603 2.873 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1301634042 CSZIGYMDOIIMCK-UHFFFAOYSA-N 461.574 2.659 30 10 JFEE CC(=O)Nc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1301776617 GYOCXYZDNCQBEP-HXUWFJFHSA-N 470.599 2.511 30 10 JFEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@@H](C)C1 1314515131 DGSAYHBBTBVMJL-PMACEKPBSA-N 488.658 2.577 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1315966620 FTUPPHVXHASCNP-NBGIEHNGSA-N 469.586 2.626 30 10 JFEE COCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1316111096 AFJZNLRZKGHNSU-GBXCKJPGSA-N 478.601 2.628 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2CCC)c1 1358902574 SFMPMBZZKAUKJJ-QWFCFKBJSA-N 455.584 2.598 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358958058 GVRCGYZJZSETBP-GOSISDBHSA-N 499.593 2.843 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358962856 YEMVBKCEDXJEAT-KWJLTHHISA-N 464.632 2.742 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1359023390 JBZHUGPLCLDAJW-UHFFFAOYSA-N 493.612 2.627 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359046166 HDSCVWVUIYGHPZ-FGZHOGPDSA-N 477.657 2.598 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(OCC)c1 1359064356 QUUGGHWCBNBLHH-OYHNWAKOSA-N 497.568 2.929 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359128034 HXGVZNKGJDWFDP-HXUWFJFHSA-N 472.615 2.517 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359213921 LVWDTZXULHHMDS-QGZVFWFLSA-N 475.619 2.919 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@@H]2C1 1359227942 PYXBEMBHPBZWCU-NHCUHLMSSA-N 490.649 2.854 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1359270070 AINBNJVKSZCIHK-UHFFFAOYSA-N 459.620 2.579 30 10 JFEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 1360283935 HLSCEJXLZYIGPT-HSZRJFAPSA-N 468.583 2.659 30 10 JFEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1Br 1437636872 HVJXQDIZYGZWFQ-UHFFFAOYSA-N 454.371 2.748 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)C[C@@H](O)COc2ccccc2C#N)C1 1460206385 GBQUQQLYNMFDRR-DNVJHFABSA-N 467.566 2.780 30 10 JFEE C=CC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)C(=O)OCC 1466783426 MWYZBXCNEDHGJP-VXKWHMMOSA-N 456.564 2.735 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)OC)c1 1470644727 OKXHGJJIPQEABJ-NRFANRHFSA-N 450.944 2.709 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cc1C 1492249928 GSRAZDRVHNBBLZ-QFIPXVFZSA-N 476.578 2.803 30 10 JFEE Cc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1492294038 GMRSAJFKUJTSCM-HMFYCAOWSA-N 460.604 2.794 30 10 JFEE CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)CC1 1494072703 FHZPVJFKPCRGPH-LJQANCHMSA-N 485.658 2.661 30 10 JFEE CCn1cc(Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCO[C@H](C#N)C2)cn1 1502226532 BAHQDTDPXXWHTF-MRXNPFEDSA-N 472.347 2.710 30 10 JFEE 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C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1507722615 BXNZVWOGOIGGSM-UHFFFAOYSA-N 494.640 2.756 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCC[C@@H](C)C2)CC1 1507732695 RPWNYAPIAVXKCV-JOCHJYFZSA-N 450.631 2.907 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCC2(C)C)CC1 1507736302 OFTKMKWHJGDQKT-CJFMBICVSA-N 457.619 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1507738998 KJLWZTCBHFTMFO-INIZCTEOSA-N 496.559 2.856 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1507797576 DODYCMLZKMMXBU-ZVDOUQERSA-N 453.591 2.849 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)COC)CC1 1507799481 WQLCQYTUHSJZSU-AVRDEDQJSA-N 484.557 2.566 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1507835468 BJULXZBEHXTKKV-UHFFFAOYSA-N 454.575 2.799 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507895570 AAQOIYNCFWJRJA-PKOBYXMFSA-N 496.678 2.938 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 1507898425 XTEFDHDLWSGTDN-INIZCTEOSA-N 475.615 2.997 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NC)c1 1508025394 NIFYPASTMCHLAE-UHFFFAOYSA-N 462.554 2.750 30 10 JFEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508052230 ZDLYSVIHZRQSBM-UHFFFAOYSA-N 468.602 2.729 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1CCC(OC)CC1 1516585806 BROXKAKMAUGFEZ-UHFFFAOYSA-N 470.622 2.650 30 10 JFEE COc1ccc(C[C@@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC 1518184242 AIXHKIDLQODOBI-MSOLQXFVSA-N 476.585 2.859 30 10 JFEE Cc1c(C#N)cccc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1525480246 AJJAUAGSEYVJBC-UHFFFAOYSA-N 454.508 2.588 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n1 1531364256 VJGYJFIPLUZCQI-UHFFFAOYSA-N 450.396 2.544 30 10 JFEE C#Cc1ccc(C(=O)N(CCN2CCN(C)CC2)Cc2ccc(Br)cc2F)nc1 1537949861 KRCXUORWRUSWCF-UHFFFAOYSA-N 459.363 2.854 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CCCCC2)c1 1539041981 AHSSXMGWCTUAKR-QFQXNSOFSA-N 478.597 2.617 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1539210512 CJWMKPKJLJSRSD-IBGZPJMESA-N 483.550 2.700 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539229206 ADAUDNZMDQAWAZ-FQEVSTJZSA-N 483.594 2.754 30 10 JFEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1539506830 YNPLTYVZCLESOU-UHFFFAOYSA-N 452.506 2.601 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(COC)CC1 1539579750 CIBQJFYMOYLLQZ-UHFFFAOYSA-N 498.447 2.967 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)CC1 1539639659 ASSUYKMQDNFVIB-JTSKRJEESA-N 457.600 2.887 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1539758608 PJODKTWAPONNBA-UHFFFAOYSA-N 477.613 2.624 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCc2ccccc2)CC1 1539847419 FICKGCJTKITYDQ-NRFANRHFSA-N 459.616 2.790 30 10 JFEE 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C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 857339161 AJWDONMCXGHKND-GFCCVEGCSA-N 459.549 2.733 30 10 JFEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 891086982 IQFNTLKBVQXHJV-CYBMUJFWSA-N 497.932 2.515 30 10 JFEE Cc1ccc(Cl)cc1NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])ccc2O)n1N 1084576610 FCRWNEGLSNGRGN-UHFFFAOYSA-N 476.906 2.744 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1 1136840902 KJTJGONJQRDOET-UHFFFAOYSA-N 450.520 2.728 30 10 JFEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCCCC1 1198084403 HRBUSQXXYSGYQL-UHFFFAOYSA-N 453.608 2.989 30 10 JFEE C#CCNS(=O)(=O)N1CCN(Cc2cc(F)ccc2Oc2ccc(F)cc2Cl)CC1 1207293610 IYBVNUBVJFSICW-UHFFFAOYSA-N 455.914 2.996 30 10 JFEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(Br)cc1 1225053856 YMNFIGDLTLJQAZ-GOSISDBHSA-N 456.406 2.873 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1cc(C)oc1C 1286278564 DRLQJMDJDAJHCN-CMJOXMDJSA-N 456.568 2.924 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 1286303694 RZZWWIKAVZNNBZ-YKSBVNFPSA-N 455.628 2.565 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)no2)c1 1286307811 AXGHINYUIMDPRC-VWLOTQADSA-N 478.553 2.720 30 10 JFEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286316276 HPTRYKHWCGLNEQ-YKSBVNFPSA-N 459.598 2.609 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1286392060 AJIJEDDFVOUCGP-GOSISDBHSA-N 489.598 2.631 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCC(C)CC1 1286401048 NDFBJKILZOKKAU-HXUWFJFHSA-N 481.670 2.740 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(C)C)c1 1286430938 LIUSWXULJVNCTQ-OAQYLSRUSA-N 454.596 2.726 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC[C@@H]1C 1286437172 BICWAFAIQCBBJQ-FQEVSTJZSA-N 472.659 2.919 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cccnc1N1CCOCC1 1286463737 SINRNMZUADNJKO-UHFFFAOYSA-N 496.999 2.973 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCCC)CC1 1286486715 HTEDIXSCTFMRNR-UHFFFAOYSA-N 464.614 2.735 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COCC)C1 1286509155 NEMZCORLQFOPGR-MOPGFXCFSA-N 479.647 2.816 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCSC1 1286515653 LNOMGGBUTGQYKJ-RTBURBONSA-N 450.406 2.906 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCCCC)CC1 1286539172 WEAUEOSWIOKHCP-INIZCTEOSA-N 467.412 2.803 30 10 JFEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286601729 TVQHYBKCOGXARX-UHFFFAOYSA-N 465.558 2.799 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNC(=O)c2cccc(O)c2)CC1 1286647481 HGGUMRBOUNQHGD-UHFFFAOYSA-N 480.594 2.952 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1286682560 AOUZHEJNICZELX-LPHOPBHVSA-N 451.568 2.962 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1286784005 SWXNWGXRZINFKX-RBUKOAKNSA-N 455.559 2.517 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1286792145 NUYBXCIQFDLGJR-UHFFFAOYSA-N 489.642 2.605 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC1 1286815725 DFOSBXGRNMRCSU-UHFFFAOYSA-N 455.378 2.917 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1286817146 QDXOLSYFGKNXAA-KRWDZBQOSA-N 464.588 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1286823110 RPVFDWGIYLQVSG-UHFFFAOYSA-N 495.649 2.747 30 10 JFEE N#Cc1ccc(CN2CCN(C(=O)c3cccc(NS(=O)(=O)C(F)(F)F)c3)CC2)cc1 1290045530 HNZNADKSBCPFCS-UHFFFAOYSA-N 452.458 2.778 30 10 JFEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1299749353 AAROWULBDUOPNI-ATIYNZHBSA-N 479.629 2.765 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300423352 MUZQTQLQRWHBSG-QFIPXVFZSA-N 450.543 2.981 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1300527183 DBGSJUJPOVNIOL-UHFFFAOYSA-N 485.514 2.632 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCn2cc(Br)cn2)CC1 1300708549 UGJTXKGYTZQQJE-UHFFFAOYSA-N 498.429 2.970 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1300710457 BSDVWUOWNGGZGP-SFLYRZDNSA-N 467.614 2.960 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2cc(C)cc(C)c2)CC1 1300717147 ZZCCPDOACCEWEF-HHHXNRCGSA-N 495.624 2.592 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300806840 BLZHKPBVPWPCKW-HYBUGGRVSA-N 454.644 2.865 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1300897452 RMDVUPKOQCWSHT-GCJKJVERSA-N 457.550 2.940 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1300973377 ZTZFFEGMMABZDE-UHFFFAOYSA-N 466.546 2.768 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301045428 UMQCSXATGJJNRU-FDDCHVKYSA-N 497.040 2.640 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@@H](C)C1 1301241048 MDFRITRCEXKEOB-KRWDZBQOSA-N 465.645 2.730 30 10 JFEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1301339386 AOOYSCILUWJFSG-HXUWFJFHSA-N 452.559 2.604 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1301339528 PCJNGRCBYSFOBA-LJQANCHMSA-N 465.558 2.818 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1301390136 DKYLBKWXDASGQK-UGKGYDQZSA-N 455.628 2.805 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1301482233 SUKGBHAUGOGORJ-NRFANRHFSA-N 450.587 2.713 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2ccccn2)CC1 1301484325 FILWQHXUCSRUFQ-UHFFFAOYSA-N 488.415 2.793 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1301514676 LJKHJWVRZFXWEX-GASCZTMLSA-N 464.364 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCC1CC1 1301568997 NFEPCKNMVDCTPO-UHFFFAOYSA-N 456.410 2.883 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1(c2ccc(F)cc2)CCOCC1 1301970572 HAAOIQTVVHPONU-SFHVURJKSA-N 454.550 2.884 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)Oc1ccccc1F 1303686211 GBNMOXLGNRPRDI-XFQAVAEZSA-N 464.567 2.625 30 10 JFEE CCC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1306583752 FUKVZBNXMFUVBZ-RTWAWAEBSA-N 452.559 2.779 30 10 JFEE Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)cs1 1310360635 FPYRUPSHWFDCMQ-UHFFFAOYSA-N 459.475 2.880 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1358873890 PONIYMOONORCSG-PXDATVDWSA-N 459.635 2.812 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1358874495 XVNCRLCLVYXVPI-QYXIYQDXSA-N 471.602 2.752 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)OC(C)(C)C 1358885057 BYVFBLOYESONDP-MRXNPFEDSA-N 465.558 2.565 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1358918752 GDOLSFDCDZTZAZ-UHFFFAOYSA-N 451.575 2.814 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359039570 NUDJTCQUVGOJON-RBBKRZOGSA-N 455.628 2.686 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NC2CCCCC2)CC1 1359047127 SGGKVXQLQOBESZ-UHFFFAOYSA-N 490.652 2.868 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2csc(COC)n2)CC1 1359047684 PHWGUBCIDQNTQH-UHFFFAOYSA-N 498.584 2.613 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](COC)C1 1359057783 IRXHCIJATQHFPD-OALUTQOASA-N 479.647 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1359105551 QXDGANULEILFHU-JBUDQFAYSA-N 455.559 2.549 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 1359126830 AGZQDSSLYAAIMV-UHFFFAOYSA-N 478.391 2.595 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)CC1 1359178244 MRRCUMUKNLBSRJ-SFHVURJKSA-N 456.595 2.972 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1359197747 YYIKAEOPVDTWRM-UHFFFAOYSA-N 450.543 2.603 30 10 JFEE C=CCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359217925 RNEAXYUYAFEMSK-REWPJTCUSA-N 451.619 2.609 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359224239 KZSBZEXGVAHXJM-INIZCTEOSA-N 484.022 2.670 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCc1ccccc1 1359241510 SYNCINSZBWFEFF-FQEVSTJZSA-N 484.601 2.915 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1cc[nH]n1 1359256760 PHIYWZORICCUDD-NRFANRHFSA-N 460.542 2.737 30 10 JFEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(C)c3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359305767 MFKOWLRBIFPSKY-SANMLTNESA-N 482.629 2.564 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359332604 BRLSRSRWJBTOND-QGZVFWFLSA-N 489.548 2.801 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1359466790 HYRZZYPCIOLQDC-QRVBRYPASA-N 488.036 2.957 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)(C)C3=CCOCC3)nnc12 1458046932 XDJMQXNFKCVOGT-UHFFFAOYSA-N 453.568 2.811 30 10 JFEE C=CCC(C)(C)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1468397686 LCFBPWHYUQPASL-INIZCTEOSA-N 459.406 2.701 30 10 JFEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 1472497188 DSXAJMLQGNIZNX-UHFFFAOYSA-N 459.531 2.551 30 10 JFEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1cccs1 1503378925 HBUVSGONBSZMIU-OALUTQOASA-N 470.624 2.804 30 10 JFEE COc1ccc(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)cc1OC 1504144046 CTNIRZRTXPMZOJ-QGZVFWFLSA-N 454.575 2.991 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCC[C@H](C)C1 1507645357 XYQNJQBFADHHKA-IBGZPJMESA-N 451.571 2.776 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1507663804 COKGFMZSDBLVRS-OAQYLSRUSA-N 474.565 2.826 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1507732859 YIMYIRPFMXUEKL-KRWDZBQOSA-N 461.513 2.586 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C(CC)CC)N(C)C)CC1 1507736986 XLCYFSCDHONLEP-JOCHJYFZSA-N 451.619 2.672 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507743935 FUTBLENEIIAFPJ-OAHLLOKOSA-N 465.421 2.707 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(N)=O)C1 1507747970 KDCBEIFSDROWGI-GFCCVEGCSA-N 454.419 2.837 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1507753275 LHWRFKDBXRCQNF-IBGZPJMESA-N 470.672 2.846 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1507812326 WOICEOQEHMMMHY-ZJSXRUAMSA-N 460.667 2.791 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1508073573 KZRDHBBHKNNLTO-UHFFFAOYSA-N 451.449 2.963 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3nc(CC)cs3)C2)nnc1[C@]1(OCC)CCOC1 1508099499 ZRCZDAVIOMLNOI-HXOBKFHXSA-N 474.631 2.635 30 10 JFEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1509330743 GMJJHRGKNALCCC-JPYJTQIMSA-N 475.615 2.658 30 10 JFEE CC(C)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 1509773190 FCPAKDSOWCVZAU-UHFFFAOYSA-N 451.619 2.894 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1509846545 FRGSWNCKYXNDHD-ZJSXRUAMSA-N 455.559 2.520 30 10 JFEE 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CSHCRLNOCOFHEW-UKRRQHHQSA-N 492.374 2.594 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1539593815 AJCCPEFDTHWHQE-LJQANCHMSA-N 489.418 2.859 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539623108 ZPCCNMFPUFJGQN-UHUZZHMISA-N 485.585 2.654 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCC)CC1 1539637870 UHYAVQNFKTYQPI-FYYLOGMGSA-N 452.603 2.988 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1C 1539804200 SIQQYIIKCVLBIX-LJQANCHMSA-N 484.022 2.577 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2C)CC1 1539849481 XHODEAUOIZHUOQ-PZJWPPBQSA-N 475.615 2.543 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1540004491 ACIGIHDRGOONEK-SFHVURJKSA-N 465.645 2.936 30 10 JFEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1540027908 FWKSVIZXKUZQMK-GMAHTHKFSA-N 450.587 2.956 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C 1540152042 ORLKVNQFAQXXND-YOSAUDMPSA-N 458.607 2.512 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540863794 FQQZMSABIZNOKL-FPOVZHCZSA-N 450.587 2.617 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1540871309 IUCFQIOJFOEUAO-OPYAIIAOSA-N 455.559 2.734 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC(F)F)C1 1540892103 FNDKPHXXEPLCCA-SJORKVTESA-N 487.548 2.997 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1540897051 ZHBBFDDWJSPLQL-RDGPPVDQSA-N 488.633 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CC)C1 1540902359 HUBZWTJLWVYIHC-MOPGFXCFSA-N 497.662 2.609 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C2CCCCC2)C1 1541032052 GPTBCUWNOGUZEV-OAQYLSRUSA-N 463.586 2.713 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CCN(C)CC(F)(F)F 1542053250 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481.601 2.577 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1540904602 NXLITGUHZWBDIH-UHFFFAOYSA-N 489.671 2.799 30 10 JFEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1545248998 GXWPFEKVDVNYFG-DWXRJYCRSA-N 487.612 2.854 30 10 JFEE CCOCC(=O)N1C[C@H](C(=O)N(C)C)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376769 IDWYTMQKGJXQMN-LJQANCHMSA-N 466.504 2.747 30 10 JFEE CC(C)(C)O[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H]1n1cccn1 1561575538 HECMXKFLPKXAAW-ZACQAIPSSA-N 453.362 2.993 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCCC2)CCOCC1 1588193472 DMCQYFNZCVLLDM-UHFFFAOYSA-N 462.554 2.961 30 10 JFEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCS(=O)(=O)CC1 1588575127 YVPKNGRSECXFKL-KRWDZBQOSA-N 481.018 2.982 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(OC)CCC2)CC1 1588732878 IMTCIYXSVKODOL-UHFFFAOYSA-N 471.005 2.576 30 10 JFEE C#CCSCCn1c(N2CCn3cc(C(F)(F)F)nc3C2)nnc1[C@@]1(OCC)CCOC1 1589125990 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30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1539525824 DHBPLUCKEMPYTF-IBGZPJMESA-N 461.538 2.623 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539621317 QJBJZKLLGMLYKC-QRQLOZEOSA-N 490.402 2.640 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539706785 SYCIFNLZDFXPCQ-LJQANCHMSA-N 489.621 2.500 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539729854 TXHCRNQGBDCJRR-UHFFFAOYSA-N 484.601 2.893 30 10 JFEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1539997545 PSASDVUJVHHZBA-UHFFFAOYSA-N 452.584 2.958 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1540860492 RKWSMNZHSDIBSM-QGZVFWFLSA-N 459.547 2.782 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1540867033 IKNIIRODBYOLHK-IBGZPJMESA-N 475.597 2.784 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1540875847 ZQJQZOHLAHTOAF-FQEVSTJZSA-N 453.587 2.853 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2F)C1 1540892481 MBADZFMPJAKCFQ-RCCFBDPRSA-N 464.563 2.568 30 10 JFEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)N(C)C)CC1 1540910915 PDMURZCITWEZRO-UHFFFAOYSA-N 499.504 2.899 30 10 JFEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1541686991 BSWKBOLORJAUEW-FQEVSTJZSA-N 466.586 2.753 30 10 JFEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C(=O)OC(C)(C)C 1541833286 CAZWGMRFBWIGSD-UZUQRXQVSA-N 459.595 2.900 30 10 JFEE CCc1cnc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)s1 1546346795 BLUQNEWBHYNTBE-GOSISDBHSA-N 454.556 2.799 30 10 JFEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCO[C@H](C)C2)c2ccccc2c1=O 1547737188 GMAXYVFLSJRJDL-VQTJNVASSA-N 492.628 2.772 30 10 JFEE COC(=O)[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1c1ccc(O)cc1 1569500880 AAHRCXJMPHUTJS-DLBZAZTESA-N 459.296 2.820 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCn3nnnc32)ccc1Cl 1583482698 LYWZDKAPDCHSQG-UHFFFAOYSA-N 458.931 2.758 30 10 JFEE CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N(C)c1ccc(C#N)nc1)n2CC(C)C 1585293031 AMIZMUUKSXLMET-UHFFFAOYSA-N 451.531 2.617 30 10 JFEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1587712451 VJSGGBCVZJHYIK-UHFFFAOYSA-N 469.542 2.853 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588045371 JLESHBVRYQACJV-GMAHTHKFSA-N 480.638 2.522 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1588054228 MCSZNHRKBOWMEL-DNQXCXABSA-N 499.681 2.689 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1588089011 FMINOGDVFWKESX-BWKNWUBXSA-N 483.638 2.527 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(SC)c1 1588194341 TZFLNIPRUUCHTL-UHFFFAOYSA-N 494.646 2.824 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588550112 IJRNXVVJFWFHJJ-IBGZPJMESA-N 459.591 2.996 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1OCCC1(C)C 1588574601 NVIVOKBQZJBMFH-LJQANCHMSA-N 459.978 2.763 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCN2CCC)CC1 1588871523 GKUZVZIXXQWXGG-JOCHJYFZSA-N 466.630 2.885 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1589171559 JTIBYESDZDQWBE-NZQKXSOJSA-N 458.584 2.922 30 10 JFEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCc2nn(C)c(=O)cc2C1 1594767044 MSTYMAIIMNIVQB-UHFFFAOYSA-N 450.543 2.878 30 10 JFEE COc1cc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C#N)C3)ccc2OC)cc(OC)c1 1595201697 DKYOVRZZROGRPG-HNNXBMFYSA-N 459.524 2.889 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1595896189 WAFLNLFKOQIHTI-UHFFFAOYSA-N 471.587 2.555 30 10 JFEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1)OC 1613619436 HZYLLAVHJLJJRK-SFHVURJKSA-N 466.571 2.948 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1617942368 ANZVJFJRZAZBIZ-CNNODRBYSA-N 454.596 2.737 30 10 JFEE CC(=O)N(Cc1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1)C1CC1 1618008815 GQMVXYOEVDNICC-OAHLLOKOSA-N 454.552 2.653 30 10 JFEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1618082092 CEBMKIJZWHIDNK-UHFFFAOYSA-N 452.559 2.637 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1 1622633193 IGBVZACJOVUQMH-SJLPKXTDSA-N 451.589 2.774 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Oc3ccccc3OC)C2)s1 1627071930 KSMNFXULNLDHMR-INIZCTEOSA-N 450.582 2.834 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1636534020 WJPOYGKFCBGSNN-MJBXVCDLSA-N 453.889 2.892 30 10 JFEE C#CCN1CCC(C(=O)NCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 1645158698 QZXHODYQQSJSAO-UHFFFAOYSA-N 454.615 2.701 30 10 JFEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CC1 1645771740 CTARYUHXLVCOOV-UHFFFAOYSA-N 457.390 2.777 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c1 1654512567 SBGYYRXLOZUVKQ-GOSISDBHSA-N 450.322 2.995 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cc(C)nc(Cl)c3)nnc12 1654672968 RWBRAPDWGPOKOK-UHFFFAOYSA-N 454.943 2.996 30 10 JFEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1)C(=O)OCC 1656400775 YQYQECKDWISNRN-CQSZACIVSA-N 453.742 2.760 30 10 JFEE C#CCN(C(=O)NCC1(c2ccc(Br)cc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 1673030772 LBQBBYGVLONIMX-CQSZACIVSA-N 459.793 2.966 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1675841424 XCWAFNWOQWMARP-UHFFFAOYSA-N 451.531 2.839 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1689893253 WSTVSFOBRAVSKJ-HXUWFJFHSA-N 471.627 2.709 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689981867 CLTSIRYGAOSPFT-KUHUBIRLSA-N 499.456 2.965 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1689984571 QVJZFBFMHDBNIW-OAQYLSRUSA-N 480.638 2.852 30 10 JFEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccsc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689988539 REYIWZPRWRCWFU-PMACEKPBSA-N 461.657 2.927 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cc(Br)cn1 1690009703 GTZMIKPVWBVXOE-UHFFFAOYSA-N 481.354 2.838 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1CCCO 1690089474 BRFCBKRYCKHTOY-FYYLOGMGSA-N 455.578 2.798 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690119657 NGOMZSGYDJPKQR-LJQANCHMSA-N 482.938 2.617 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1690133719 QWTKUAXMGDHNHC-UHFFFAOYSA-N 482.698 2.869 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690161660 MRWGPJNBSNHRIC-OAQYLSRUSA-N 463.611 2.765 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 1690245158 DLBSVQWUWCHNCP-PDGJWGCVSA-N 489.642 2.790 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690342304 IIZMWRBJEVCXCK-CVEARBPZSA-N 450.996 2.553 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1690396645 IEWBJRHDAUQPQF-UHFFFAOYSA-N 459.978 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(c2nc(C)no2)CC1 1690727264 YOBLSROLZGZJHL-UHFFFAOYSA-N 470.599 2.740 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCCC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1690731120 AEHZISJTHZAZQT-CNNODRBYSA-N 452.621 2.548 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)C1 1690782780 DEPDCXWUFNFBPG-NRFANRHFSA-N 466.586 2.707 30 10 JFEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1694483481 FPAVWEJEGUVGQC-RXVVDRJESA-N 464.636 2.711 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1695977004 AUNVYLIRTBNEMX-RBUKOAKNSA-N 484.557 2.606 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705562795 KMHZUPGWHJQNBJ-IBGZPJMESA-N 455.609 2.947 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705565417 IEMFRKXSDZYXGX-IBGZPJMESA-N 458.584 2.628 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705568875 WREUVQUVQGZEEX-GOSISDBHSA-N 471.608 2.605 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC(F)(F)C1(OC)CCOCC1 1705578511 VRTUZQWHGKBOJW-UHFFFAOYSA-N 474.508 2.866 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1705642247 MMZYJFOJPVHVMI-UHFFFAOYSA-N 499.681 2.877 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOCC2CCOCC2)CC1 1705643405 DYRGQKSKXQWOMI-DHIUTWEWSA-N 473.662 2.785 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2c(CC)noc2C)CC1 1705644103 YCSSYVQZQQSJND-KDURUIRLSA-N 483.617 2.711 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1705648834 AHAAPUKPIZBTTF-DEOSSOPVSA-N 471.609 2.917 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N(C)C2CC2)CC1 1705651062 IGSKAXMLHWPYEH-NRFANRHFSA-N 478.641 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1705653061 XPANIEAENMXHEK-FGZHOGPDSA-N 450.587 2.930 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705666251 ULVFPOABQSMYJV-IBGZPJMESA-N 459.591 2.521 30 10 JFEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705681712 BNHUOVWBGMNVEL-ZDUSSCGKSA-N 469.290 2.669 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OCCOC)C1 1705694254 PYBKKXHPCRMNTF-DYXWJJEUSA-N 470.574 2.538 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1705712251 NHWGDIAQXJDFOP-QFIPXVFZSA-N 465.606 2.680 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705730860 OOFXDZPQSJVKTP-RTWAWAEBSA-N 455.559 2.802 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1705873354 FXKNNQQRSSGFNL-YADHBBJMSA-N 450.587 2.699 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)C1 1705925998 XBZTVACSQWNKKM-RRQZXNHTSA-N 488.633 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1705930139 GJWLCBVSSJOGQB-UHFFFAOYSA-N 478.615 2.633 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCOC 1705934039 ZHNVBZSSRHXPDU-UHFFFAOYSA-N 457.394 2.699 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)C1 1705973871 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458.584 2.779 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705671298 DPHDXFLECZLPGZ-KDYSTLNUSA-N 494.640 2.897 30 10 JFEE C=C(Br)Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1705692122 ACCKKDQUUUNKGT-YOEHRIQHSA-N 482.345 2.912 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1705699590 IWYFRLCRNZKTLA-XJABCFGWSA-N 455.559 2.864 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705738694 HLOVMLODYZDCME-PGRDOPGGSA-N 461.557 2.897 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705810933 LYHUGDIBLOLMSU-INIZCTEOSA-N 470.640 2.690 30 10 JFEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1705830751 WVHFCYRAVUDDBZ-YADHBBJMSA-N 489.642 2.506 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1705859943 KJWINAVSSNAZQL-XZOQPEGZSA-N 477.613 2.650 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)C 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C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2ccco2)C1 1690688427 VCZCZKUJFJUJJO-HNNXBMFYSA-N 475.347 2.840 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)N2CCOCC2)C1 1690690101 REWXMEUJARHVJY-LJQANCHMSA-N 490.402 2.738 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690715445 LPECERDDWRXKEN-BSRJHKFKSA-N 494.589 2.542 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690719262 JGXAIXJBGZLFOX-UHFFFAOYSA-N 482.488 2.819 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695913239 AZUYCCATKLQYKI-UHFFFAOYSA-N 490.587 2.764 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705517415 VJZXNQQSJOZVKX-OALUTQOASA-N 497.662 2.649 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705543576 LNQUJWCDHFTEIN-UHFFFAOYSA-N 496.431 2.505 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1705565160 SVMIOGPSLBQPEX-NRFANRHFSA-N 479.606 2.917 30 10 JFEE 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1722459305 HLGPCXMNDJHNNZ-FPOVZHCZSA-N 499.685 2.936 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722480838 UMHLXPNMKXVVSL-KDOFPFPSSA-N 477.407 2.744 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1722542782 HUAFEYPSFADYSH-CQSZACIVSA-N 469.970 2.879 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722558020 AOECXPDPLLMDDF-GCJKJVERSA-N 454.015 2.761 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 1722595019 SIXUTYMIRZRGLG-FGZHOGPDSA-N 463.586 2.878 30 10 JFEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1722604055 SXMWTBLASZVDFT-FQEVSTJZSA-N 452.607 2.771 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1722617590 LBPOTZYRRMEJBE-GOSISDBHSA-N 475.018 2.998 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1722660487 WSABNUCWTZDJMM-XTQSDGFTSA-N 476.516 2.537 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)no2)C1 1722719488 VAUKRPXPKFRJJW-PKOBYXMFSA-N 474.562 2.713 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722729903 AHUHMBAYSIEAJZ-UHFFFAOYSA-N 484.548 2.983 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)C1 1722749105 PCCOVGMZWXEROL-GOSISDBHSA-N 495.971 2.679 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1coc(-c2ccc(C)cc2)n1 1727229623 GLJTXIKDQVMEIY-FQEVSTJZSA-N 463.542 2.937 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1730629098 COADGJRQYCDNHL-QHCPKHFHSA-N 487.626 2.542 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1740590854 KIKKXNTWBHWOKS-INIZCTEOSA-N 478.640 2.969 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740594844 CVGONBMIHJYKJV-UHFFFAOYSA-N 459.616 2.653 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C1CC1 1740637494 CPURDKFQKPBVPT-WOJBJXKFSA-N 454.619 2.948 30 10 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COCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1ccc(OC)c(OC)c1 169948742 LCLFBEOMGKTVNG-NRFANRHFSA-N 457.479 2.946 30 10 JFEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccncc2)c1 170358931 FVDBGRVBMAVMHC-NRFANRHFSA-N 479.514 2.911 30 10 JFEE C=CCc1cc(CNC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc(OC)c1OC 509687033 SXIXHPFBYZKYLX-GOSISDBHSA-N 458.603 2.707 30 10 JFEE CCc1ccc(S(=O)(=O)OC2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 586508476 OILHWAPOANSRJI-UHFFFAOYSA-N 470.547 2.678 30 10 JFEE C#CCN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)[C@H]1CCS(=O)(=O)C1 729332495 OXLIFOQFNABCRE-SFHVURJKSA-N 494.573 2.713 30 10 JFEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCO[C@H]1C(=O)O 757442486 REWNBKXNEUKMAO-XPWALMASSA-N 477.517 2.946 30 10 JFEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(=O)OC)C(=O)O 757445789 PQLGPGSGEQFEBO-SFTDATJTSA-N 466.490 2.602 30 10 JFEE C#CCNC(=O)c1ccccc1NC(=O)CCN1C(=O)COc2cc(Br)ccc21 921163414 PMSFYMIOYWXWAG-UHFFFAOYSA-N 456.296 2.566 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 1213711414 DVDSYDMHOAXLBI-UHFFFAOYSA-N 453.517 2.627 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2OCCC2(C)C)c1 1286307862 BTQVYADTHGQYTQ-FQEVSTJZSA-N 487.564 2.797 30 10 JFEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCN1CCC(O)CC1 1286364595 FUVDXRQMKJWIDM-UHFFFAOYSA-N 450.356 2.763 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286390830 AESLGRZSQLXUOC-WOJBJXKFSA-N 463.003 2.718 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCS(=O)(=O)C1 1286402983 FXGIKSIDZJTVQT-MRXNPFEDSA-N 491.411 2.614 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1cccn1 1286426398 UMJAAOBBUVQVIF-UHFFFAOYSA-N 468.565 2.815 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(F)cc2C)CC1 1286487757 IBNVTVCMWCQXAP-AREMUKBSSA-N 483.588 2.586 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccnc2C)CC1 1286511645 CASDTBFEROJLAX-WOJBJXKFSA-N 469.659 2.988 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286564643 HBUNKZLLIZNYPG-XQPJFTJZSA-N 488.633 2.697 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286585256 XSDIENLDTFHJMW-UHFFFAOYSA-N 484.992 2.841 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1286650126 XSUGUHFJUJLWAK-HSZRJFAPSA-N 477.613 2.828 30 10 JFEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286771934 BAQPMORJAZWRFV-UHFFFAOYSA-N 459.348 2.723 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1286791430 ZJSVDDDDOBPLNO-WIYYLYMNSA-N 467.549 2.547 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C(C)C)CC1 1286792042 KWJFKXFQQXATGX-UHFFFAOYSA-N 495.411 2.771 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccnn1C)C1CC1 1286793707 KBRHQESHGXOBLZ-IBGZPJMESA-N 484.605 2.555 30 10 JFEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)CC1)S(C)(=O)=O 1298195969 DPEITCTVVUOKBO-JOCHJYFZSA-N 474.656 2.963 30 10 JFEE C#CCCCn1c(C2CCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1300409282 RBKLJDAIDIHMFT-LJQANCHMSA-N 491.658 2.867 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1300492518 NIFWXTGSUVHFIJ-NRFANRHFSA-N 477.590 2.888 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300496456 RLBOVTFITFKJAH-SJORKVTESA-N 483.516 2.609 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300498382 JWJTVWFIXUIFQE-MSOLQXFVSA-N 488.507 2.602 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1CCN(CC)CC1 1300536444 XWHJFXWJIOUVLP-UHFFFAOYSA-N 460.630 2.647 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1300635369 KPMHXOQIGXCGLK-HXUWFJFHSA-N 492.649 2.998 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C1CCCCC1)N(C)C 1300664136 OQCRRLPFVKLCPB-HXUWFJFHSA-N 456.591 2.602 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCN2CCOC2=O)CC1 1300707311 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C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(=O)N2CCCCc3ccccc32)cc1 1667322082 MZMDXPBKNBPCOE-UHFFFAOYSA-N 456.568 2.984 30 10 JFEE CN1CCC(Oc2ccc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2)CC1 1671494863 HHGVONGBIDZUHN-RXVVDRJESA-N 457.575 2.718 30 10 JFEE CCOc1ccc(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC 1681709245 CQEHEKQHLIAUMP-NRFANRHFSA-N 450.539 2.998 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1689861345 TZIJRLLIYMGDSV-UNMCSNQZSA-N 461.614 2.867 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1689986753 WOHQSNJKRBNRDU-QGZVFWFLSA-N 493.427 2.927 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1689988113 JKLXJTCSYQTLIQ-IBGZPJMESA-N 455.971 2.977 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1689990281 NKGAZIMUWMTKDO-TZIWHRDSSA-N 458.584 2.534 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1690039719 QFMSBMFMDXNSFQ-JTHBVZDNSA-N 458.570 2.835 30 10 JFEE 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C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1705902947 MYOOAAZLFKKQNV-SJLPKXTDSA-N 465.476 2.681 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1706743774 FKNXWYSZKJVFAU-GOSISDBHSA-N 472.553 2.834 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(C(=O)N(C)C)c2)CCOC1 1710451243 AEDVJJNNRCCRHG-VWLOTQADSA-N 466.586 2.810 30 10 JFEE N#C[C@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(=O)NCC(F)F)CCO1 1712882514 CQAIGRSTIKBWCD-NSHDSACASA-N 466.901 2.923 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1722294448 HCJDEHMRKSBZCU-ZBFHGGJFSA-N 456.490 2.628 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722330408 SVPAYFCAAIYTSG-OFNKIYASSA-N 494.640 2.755 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C2CC2)N(C)C)CC1 1722444614 CNCWVGZSNZHSFG-OAQYLSRUSA-N 455.006 2.905 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2ccccc2F)CC1 1722450950 UIDVWEWMDKGUCH-LAUBAEHRSA-N 455.534 2.702 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722452544 QWIKLTMYSYLFAA-KUHUBIRLSA-N 466.405 2.786 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNC(=O)C(C)C 1722510656 WEDDORXWCZNQPF-COPCDDAFSA-N 469.586 2.980 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccnc(C)n2)CC1 1722533985 FLQZKRCEPPZCGQ-UHFFFAOYSA-N 463.586 2.895 30 10 JFEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722534469 PTRUDAQUPYZYBJ-LJQANCHMSA-N 451.575 2.604 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1722534928 SLMRSAVGQZKBJO-OYRHEFFESA-N 482.585 2.679 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722607172 OLOYSZQHNBBEOG-UHFFFAOYSA-N 494.625 2.555 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722624490 DOSMIODOFQQMDG-GOSISDBHSA-N 459.595 2.965 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1722671918 FXTUDCBBZGJDKJ-NRFANRHFSA-N 475.590 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C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCCN2CCOCC2)CC1 1286472262 RMHZKEUBUSIODY-NRFANRHFSA-N 487.048 2.939 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(C)(C)C2CC2)CC1 1286473742 SLTDNKRGKCGDPA-UHFFFAOYSA-N 484.670 2.777 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccco2)CC1 1286481820 YBGFBAXMSNYPBT-FNZWTVRRSA-N 498.628 2.649 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCCN2CCC[C@H]2CO)CC1 1286487258 FAOBBAWWMZOVTF-QHCPKHFHSA-N 499.059 2.801 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2([S@](C)=O)CCC2)CC1 1286493396 UYTBVWWSAZWOGY-DHUJRADRSA-N 497.665 2.741 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286534529 VAPMVUBXOXFRFE-SFHVURJKSA-N 494.415 2.755 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCCC[C@@H]2C1 1286605471 XIYQYDZWJKFJOB-HXUWFJFHSA-N 459.616 2.616 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286620049 FSJCOLAMCYBRNH-YOEHRIQHSA-N 457.959 2.828 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCCCC2)CC1 1286646319 PGNHGXKPCQTXLM-HXUWFJFHSA-N 467.636 2.507 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1286666437 DPDMDQITKBXXHV-UHFFFAOYSA-N 455.559 2.614 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286779713 KHWBMCJOCCSAPA-KRWDZBQOSA-N 479.560 2.883 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1286788626 ZXXFKZOPJFSJLB-KRWDZBQOSA-N 489.623 2.652 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)cc1 1286797669 YTYJTSVKDLVJEF-OAQYLSRUSA-N 455.603 2.942 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286802166 PHFHWGHQCDCNEB-ZBKJMMEJSA-N 468.945 2.906 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1287047270 DNTAEXJVYLSFMH-UHFFFAOYSA-N 494.644 2.558 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@]1(C)CCCO1 1288107043 ADKFGGOELJKZOS-XMMPIXPASA-N 452.559 2.905 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)c1ccccc1 1300299332 ONUVKBSHNULHRY-GOSISDBHSA-N 451.600 2.833 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1300412199 YWCDKPXZBZBLAE-MOPGFXCFSA-N 458.584 2.952 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300479116 IQKWJAWCANXPPT-SFHVURJKSA-N 470.599 2.523 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300506569 VBZBRDIFEIOSBG-RJGXRXQPSA-N 485.654 2.622 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1300674606 AJDIEFVAZPODLI-CLOONOSVSA-N 456.587 2.781 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1300685463 OLLKDFAAMWQIPJ-MSOLQXFVSA-N 474.451 2.911 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCCN2CCCCC2)CC1 1300708640 XDZKEJMIRWKBRZ-UHFFFAOYSA-N 452.651 2.551 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCc2c[nH]nc2C)CC1 1300726550 NUQOLMIEOPJZOH-UHFFFAOYSA-N 459.598 2.807 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(c2ncccc2C#N)CC1 1300775892 CADUZGJZYRNPSP-UHFFFAOYSA-N 489.605 2.825 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1300886468 XTEFUAWRNFDGSL-YWMUFLPLSA-N 472.977 2.939 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301044504 JPDITCRNLPCBAJ-HOTGVXAUSA-N 484.985 2.616 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301154253 NOSDAWJSODNYTJ-UHFFFAOYSA-N 452.603 2.941 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1301294482 QQXHPICRKTYESB-CQSZACIVSA-N 460.501 2.693 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1nc(O)c2sccc2n1 1301502378 GSNIJPYTGFMVOP-UHFFFAOYSA-N 485.520 2.796 30 10 JFEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301618293 OCICVVKCLAPCBY-LJQANCHMSA-N 484.626 2.866 30 10 JFEE CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)o1 1306006869 BWXITHSBYGITPX-MRXNPFEDSA-N 483.598 2.836 30 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455.628 2.686 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1359050514 SZHYCJGNGZVBOL-FUHWJXTLSA-N 476.672 2.774 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359050993 JHRDQJIDEQZTDW-XMMPIXPASA-N 471.627 2.630 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1359130521 MMUBUYOZBCRFHX-FGZHOGPDSA-N 483.661 2.693 30 10 JFEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 1359137503 RRWZFVPYRBLALP-NRFANRHFSA-N 450.587 2.969 30 10 JFEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNS(=O)(=O)CC)CC1 1359169405 GEKSHTNIXBNCTM-HDICACEKSA-N 482.651 2.535 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCC[C@@H]1CO 1359232840 HDTXWQCCWJGYOX-QGZVFWFLSA-N 451.413 2.905 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCN(CC)CC1 1359255701 IBPBGNPMIDOHGI-OAQYLSRUSA-N 471.613 2.825 30 10 JFEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1501431705 DYLVWCWTHKCXKG-OAQYLSRUSA-N 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454.625 2.890 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507754371 WPSYDTKLJRGYNN-OAQYLSRUSA-N 483.638 2.668 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1507792546 ZXJYVDVPPYGQGU-FKBYEOEOSA-N 453.587 2.845 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1507920365 URNVSWQVYDRARN-VXKWHMMOSA-N 499.704 2.820 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507945490 HHOQSYLGVSEHFV-LJQANCHMSA-N 463.586 2.946 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1507953174 DGXIRRUFOCEMOR-OAQYLSRUSA-N 487.626 2.677 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C)C1CC1 1507993770 TYHOXOKYVPDQBS-ROUUACIJSA-N 474.606 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)[C@H]1C 1508135288 ZUZIHIPKSYQGIF-MRXNPFEDSA-N 477.656 2.543 30 10 JFEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1512249720 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C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861530 VSSQFMCBZBSOKB-OTWHNJEPSA-N 473.622 2.817 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2OCCC2(C)C)C1 1540885169 CSUCHLZUPQQIFS-UYAOXDASSA-N 460.600 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCC[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908830 ORYZOWBYERLONC-NNMXDRDESA-N 454.637 2.934 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)c1 1543231297 QLMFXAHKQVXYNE-GOSISDBHSA-N 451.527 2.935 30 10 JFEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1cc[nH]n1 1548379470 CARJSIHKHYJJTJ-GOSISDBHSA-N 460.460 2.547 30 10 JFEE CCn1cc(C(=O)N2CCC([C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C(N)=O)CC2)cn1 1548397326 JVWURSDRXCJENU-VQTJNVASSA-N 488.514 2.884 30 10 JFEE COCCn1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1555567988 BEECENOEVQGBPS-UZLBHIALSA-N 471.949 2.691 30 10 JFEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)S[C@H](C)C2)cn1 1555570748 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C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1671950258 OQZCHEGBUTUKRH-UHFFFAOYSA-N 451.520 2.739 30 10 JFEE C=CC[C@@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1679492363 NODGESKBUFLBEL-QGZVFWFLSA-N 451.589 2.855 30 10 JFEE C#CCN(C(=O)NCc1cccc(NC(=O)COC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1682023469 YKEBMQMRSOVEHO-UHFFFAOYSA-N 458.559 2.816 30 10 JFEE C=CCc1cc(CNC(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC 1683367389 NZMVTVIXXAKDCA-UHFFFAOYSA-N 453.605 2.824 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCCCC1 1689835796 SQQZOAMNJZFUCC-SFHVURJKSA-N 459.616 2.739 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1689983996 JGOCHRPVOVVLPV-HXUWFJFHSA-N 467.595 2.673 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1689990489 PCZJVHMHUSLXKT-VXKWHMMOSA-N 456.612 2.658 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1689996696 MIMYENBHUYDYDJ-QFIPXVFZSA-N 479.606 2.852 30 10 JFEE 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489.642 2.793 30 10 JFEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1705818115 ATKOSGTUJJLABB-UHFFFAOYSA-N 465.602 2.971 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1705912829 VROZOQFCUCLAGJ-IAGOWNOFSA-N 463.604 2.505 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1706100053 CGBRFCZMVTTYGD-RXVVDRJESA-N 487.626 2.708 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)C(C)(C)C)c1 1711698563 IALXUFNXLWMVIN-NRFANRHFSA-N 465.551 2.618 30 10 JFEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)cc1 1712878365 DHSHYBKDWLIOQR-KRWDZBQOSA-N 471.443 2.513 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(NC(C)=O)cc1 1722293849 OJICUUDCWKXVJR-QGZVFWFLSA-N 479.610 2.897 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1722306327 IORTXCKARRHMDJ-LJQANCHMSA-N 459.558 2.624 30 10 JFEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722310503 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C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1221902472 ARDFAYZHXHYMBD-UHFFFAOYSA-N 456.612 2.911 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC[C@H](C)C2)c1 1286308382 ISMVYEJVYINYPM-VQTJNVASSA-N 479.629 2.593 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286324355 OSKBIMHBGDNSMU-OAQYLSRUSA-N 473.618 2.835 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1286385372 XAZYFSYIWFCNNT-QUCCMNQESA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1286390780 CIIXQLFFIMXXKK-IBGZPJMESA-N 479.647 2.675 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286398749 OIMMUKNOJBSNSG-XRXFAXGQSA-N 479.691 2.554 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286506130 QIWSQGCBMVZEKR-GBXCKJPGSA-N 498.672 2.753 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286564635 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489.642 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccc(C)o1 1359329614 OSIXFJZABXDANV-UHFFFAOYSA-N 458.540 2.855 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359330658 YNIJASGHNOGITQ-LJQANCHMSA-N 499.641 2.683 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1359336233 IVRSROZJYPIUCQ-ZJOUEHCJSA-N 478.590 2.736 30 10 JFEE COC(=O)c1c(F)cccc1S(=O)(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1474921173 DDALMVKFCUAYLW-UHFFFAOYSA-N 454.483 2.543 30 10 JFEE C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1475822230 IPFCNDHMWXZZRR-UHFFFAOYSA-N 456.996 2.523 30 10 JFEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1503358932 BVEXYILHPHKVQM-VWLOTQADSA-N 466.586 2.584 30 10 JFEE COc1cc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)ccc1C 1504083838 GNOMXCIDLXIAAT-HXUWFJFHSA-N 457.600 2.870 30 10 JFEE N#Cc1ccc(C2=CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(F)(F)F)CC2)cc1 1505316653 FXOPERKEXBBRRH-KRWDZBQOSA-N 451.474 2.908 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2Cc2c(CC)nn(C)c2OC)c1 1507552081 KBYYNXFVAVKFKV-UHFFFAOYSA-N 461.570 2.640 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1507563226 DNVAVSCIHVBBLC-GOSISDBHSA-N 469.677 2.527 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507591291 KMUKTMGPUPBEQG-MOPGFXCFSA-N 456.591 2.521 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507591300 KMUKTMGPUPBEQG-RTBURBONSA-N 456.591 2.521 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507630011 XZVQGUDXGRJMAB-UGSOOPFHSA-N 487.445 2.557 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507754016 UDHUWOUWZROSHK-QFIPXVFZSA-N 483.638 2.668 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)[C@@H]1CC 1507967715 MSIAOBJLIGTVAQ-MOPGFXCFSA-N 476.622 2.700 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ncc(Cl)n2C)cc1 1508100076 CKSIJVZSINWLIR-QGZVFWFLSA-N 491.017 2.817 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(C(F)(F)F)n2)C1 1508132133 RCSLZEDOJQROCW-INIZCTEOSA-N 480.491 2.675 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C)CC1 1508141194 TVHZAVNEJWRHGJ-UHFFFAOYSA-N 484.626 2.902 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508162999 SCMDGJNJYPMWMC-SFHVURJKSA-N 461.599 2.560 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1508171605 WYSUFDGUBXVLQC-PMACEKPBSA-N 478.663 2.649 30 10 JFEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CCN1CCOC 1514380291 CNJDRMKVORZOFB-HSZRJFAPSA-N 483.686 2.803 30 10 JFEE COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc2c(c1)CCO2 1524188375 FVFAUTOAIXDSJN-KKSFZXQISA-N 453.882 2.530 30 10 JFEE C#CCN(C(=O)c1cnc2c(c1)NC(=O)CN2C)[C@@H]1CCOc2ccc(Br)cc21 1529626301 AYFXAMWCYQFEJE-QGZVFWFLSA-N 455.312 2.832 30 10 JFEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)C(=O)OC 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C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1539488522 AHSNVAIIXITHSG-NRFANRHFSA-N 452.628 2.591 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539520822 XQECHGFTTFVAFW-UHFFFAOYSA-N 475.684 2.794 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539706764 SQAXJYDLAGDJEJ-QZTJIDSGSA-N 478.594 2.878 30 10 JFEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1539778811 ICPXXKUOTZBQJF-HNNXBMFYSA-N 469.920 2.995 30 10 JFEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539813127 YKYCPSBBZLKNIN-MRXNPFEDSA-N 460.995 2.784 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1539981415 GOKRVDIVVHCOJB-WMZOPIPTSA-N 461.588 2.967 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1540037018 ZIQDMSNKDSRHOJ-OAQYLSRUSA-N 476.647 2.503 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1540853426 JRBWCKLNEGAYGU-WOJBJXKFSA-N 493.656 2.960 30 10 JFEE 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464.492 2.838 30 10 JFEE C[C@H]1CN(C2CCOCC2)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F 1620319652 GUJMOSKOGPHRII-INIZCTEOSA-N 464.492 2.981 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc1 1624826153 FNJDPNQKJPTOPM-OAQYLSRUSA-N 453.495 2.912 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 1636224217 JYWDYASDHQTEOZ-IERDGZPVSA-N 459.543 2.772 30 10 JFEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 1639996483 DPXMDGMFGPBEFD-HNNXBMFYSA-N 452.561 2.933 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CCC)c1 1689870429 NOQXDNRHMQFYAF-YADHBBJMSA-N 477.613 2.550 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1689979935 JMFIAIQXAATCIS-LPHOPBHVSA-N 459.572 2.645 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689981945 DUQPRSPXEUUYRA-IBGZPJMESA-N 483.594 2.878 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1689998389 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HJVRESKTEWCTEN-GGAORHGYSA-N 455.603 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@]2(CCOC2)C1 1690715867 WVAXBSYULVSWDX-HYBUGGRVSA-N 490.626 2.631 30 10 JFEE CCN(CCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1695739580 FVADYNMKOSXONV-QHCPKHFHSA-N 485.589 2.915 30 10 JFEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1698399611 HXNMOZCZJACDPZ-SFHVURJKSA-N 456.572 2.903 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)c1 1705507373 ZDQUPBBTRGVHLP-LJQANCHMSA-N 469.611 2.817 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1705532170 HQHOWHFOKHASKM-SFHVURJKSA-N 479.647 2.819 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705535119 BFQBNUZJCWVACT-UHFFFAOYSA-N 458.557 2.551 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1705561148 QMRHGMMVWOCPLQ-BVSLBCMMSA-N 486.638 2.749 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 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CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC[C@@H]3COc4ccccc4O3)C(=O)[C@]12C 1075950926 TWHCABRHIZBTRV-ZFQAZAQLSA-N 491.496 2.998 30 10 JFEE CCOc1ccc(NC(=O)CSc2nnc(NN=C(C)c3cccc(OC)c3)n2N)cc1 1083918207 ZLVVDCUXEQXZMD-UHFFFAOYSA-N 455.544 2.966 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 1136289926 XFUMZRFMSSXEJU-KRWDZBQOSA-N 454.548 2.632 30 10 JFEE COc1cc(C#N)ccc1OCC(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F 1147652250 FWBYSPIHSYSTNE-UHFFFAOYSA-N 453.879 2.818 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOCC1CCOCC1 1286299488 WCNBWUSTBXECQN-FQEVSTJZSA-N 467.618 2.743 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(OC)c1 1286362143 CMPRJRRVTAXCKK-UHFFFAOYSA-N 452.584 2.867 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccc(OCC(F)(F)F)nc1 1286367874 NIKVGYTYCAUCCS-UHFFFAOYSA-N 483.458 2.569 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286391777 GFLZKWJFOJKNJQ-SJBKTWHCSA-N 472.611 2.922 30 10 JFEE 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30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC[C@H]1CCCCO1 1288775766 GRYVDYWGULXZJL-YLJYHZDGSA-N 460.604 2.746 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 1289958328 SIOHROCJCSKKGR-FUHWJXTLSA-N 456.543 2.515 30 10 JFEE C#CC[C@@]1(C(=O)NCCN(CCOC)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1295950450 HIXTVXJDKBYODT-QHCPKHFHSA-N 453.580 2.779 30 10 JFEE CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1296130318 CQUBBZQFSGVPSA-OAQYLSRUSA-N 458.614 2.798 30 10 JFEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300484110 RGJVOCSFOJMGPG-RCZVLFRGSA-N 486.638 2.611 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300501211 HULVCRJCNKNDSN-CVDCTZTESA-N 480.638 2.879 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCC[C@@H](C)C1 1300528397 VTIZWOHVNPOOCJ-HXUWFJFHSA-N 471.609 2.775 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1CCOCC1 1300663942 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C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1301350970 FICNUAPDGPQUFR-RXVVDRJESA-N 454.550 2.819 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cnn(C)c1C 1301483174 JENXVFZKJZNGGX-UHFFFAOYSA-N 476.354 2.827 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1301578132 YMRCZGAGUQZRFO-MRXNPFEDSA-N 464.588 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCC(C#N)CC1 1301593608 QRLKAVCIWSMVIC-UHFFFAOYSA-N 461.613 2.920 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)O[C@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301596005 DVJBQWOSQQAZQZ-AKHDSKFASA-N 497.662 2.653 30 10 JFEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301605850 BCNZKYMZQLCODJ-UHFFFAOYSA-N 457.648 2.717 30 10 JFEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1302013133 BCBJLDJKZJATIC-NRFANRHFSA-N 479.629 2.528 30 10 JFEE CC(C)c1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)n1 1302535505 FFCATJXWVWPHJG-UHFFFAOYSA-N 473.585 2.535 30 10 JFEE 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2.675 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690041636 BICDOXKWPNCUNX-UNMCSNQZSA-N 481.622 2.621 30 10 JFEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CC1(N2CCOCC2)CC1 1690054721 DQKZJPSRBBYLCQ-UHFFFAOYSA-N 465.623 2.907 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1690112009 OJRIHKWQYRSNSX-GOSISDBHSA-N 481.576 2.665 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2nccc(C(F)F)n2)CC1 1690133581 MEEGCWRFONXSDU-UHFFFAOYSA-N 467.524 2.951 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)C(=O)NCC)CC1 1690138015 PARVLSGCEWNOEN-SFHVURJKSA-N 498.603 2.685 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690188529 KMMUTUTXXJWHTP-IQGLISFBSA-N 468.577 2.672 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1690219359 BTWJAAQLTXOHFK-OAHLLOKOSA-N 484.395 2.912 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)COC)CC1 1690239404 WBNLTILZDUJLDC-GHTZIAJQSA-N 459.978 2.875 30 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485.592 2.627 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CC1)COC(=O)N2 1705533780 ZQSGEOYAHNGHKE-GOSISDBHSA-N 472.590 2.885 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](c1ccsc1)N(C)C 1705576683 OQDUCGSXMSGDQI-QFIPXVFZSA-N 496.662 2.633 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(F)(F)C1(OC)CCOCC1 1705578218 KOZHHNHYUGQICP-UHFFFAOYSA-N 474.508 2.866 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705601573 NUICRUAMWDUZSO-UHFFFAOYSA-N 498.649 2.557 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)NCC(F)(F)F 1705622204 AQTKZCVBWDRVBM-UHFFFAOYSA-N 460.460 2.566 30 10 JFEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1705643243 YADOUUJYACLOFL-UHFFFAOYSA-N 451.493 2.697 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccn(C)n2)CC1 1705647050 YKTOEFSHJZNEIT-UHFFFAOYSA-N 496.413 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1705651074 IJZGBKZVUOFOQC-QFIPXVFZSA-N 489.624 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30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705785883 AHBVUGOSSQVBPU-HOTGVXAUSA-N 468.649 2.833 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705794109 WDRIOLYCTVINGL-UHFFFAOYSA-N 485.614 2.506 30 10 JFEE C=CCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705823369 JRKLFJQXYREIHP-BBWFWOEESA-N 453.609 2.638 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705876456 YKUOYOHYYOQHMH-MSOLQXFVSA-N 465.620 2.758 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccn(CC)c1=O 1705884945 BQGJKGACBZZFRJ-OAQYLSRUSA-N 451.527 2.659 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCCC2(C)C)C1 1705929404 PVQFTUPNQFSXCQ-HXOBKFHXSA-N 459.616 2.992 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705933793 RSESSLOOXVUQFY-CVEARBPZSA-N 487.365 2.967 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)C1 1710382697 ASOBIYTWJMPVGC-GOSISDBHSA-N 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CCn1cc(C(=O)NCC[C@]2(C)CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282543035 MVWJHWMAIXDBQT-HSZRJFAPSA-N 462.400 2.722 30 10 JFEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2282543545 LGIWKRPUTPTIMQ-IBGZPJMESA-N 452.408 2.844 30 10 JFEE C[C@@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN1C(=O)OC(C)(C)C 2282546893 OSOISQJRGWLXOX-CABCVRRESA-N 463.359 2.895 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CN)CCN(Cc2ccccc2)CC1 2282560672 GKGSXAUPMCISRV-UHFFFAOYSA-N 453.392 2.611 30 10 JFEE CC(C)[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2282832400 OKDYMBIBOSHPFD-KRWDZBQOSA-N 486.415 2.953 30 10 JFEE C[C@@H]1COC[C@@H](C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)N1C(=O)OC(C)(C)C 2283967162 ZOPSYEQYHATYLR-HIFRSBDPSA-N 481.786 2.997 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283978225 ZUQAQMOEWUSRRT-OALUTQOASA-N 458.364 2.510 30 10 JFEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2284060961 UFCMAIIQAYDXPH-KRWDZBQOSA-N 461.368 2.734 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CN1CC(CNC(=O)OC(C)(C)C)C1 2284063132 OYHCBIGFVNBJNV-UHFFFAOYSA-N 459.396 2.689 30 10 JFEE C[C@@H]1OC2(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CC1(NC(=O)OC(C)(C)C)C2 2284121424 BWYZWPSEAUXDJH-WVSTVCSASA-N 459.352 2.534 30 10 JFEE COCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(=O)OC)cc1 2296079083 BSOZPQSAFRCMFA-LHSJRXKWSA-N 451.475 2.865 30 10 JFEE COc1ccc(CNC(=O)C(F)(F)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296182644 PGDWJOPMRZEWNG-UHFFFAOYSA-N 470.322 2.771 30 10 JFEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(OC)cc1 2325920789 NSWJLDKBJJDMGT-IBGZPJMESA-N 479.562 2.950 30 10 JFEE C=CC1(N[C@@]2(C(=O)O)C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2326232956 IKIVJYCGDJGINB-PXAQALGRSA-N 451.564 2.994 30 10 JFEE CCOc1cccc(C=Nn2c(SCC(=O)OC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 2327876284 BLBNPAHLEBJHSB-INIZCTEOSA-N 459.572 2.939 30 10 JFEE CCOc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)cc1OC 2328261605 SEXZWWSSVGMIAP-UHFFFAOYSA-N 471.539 2.733 30 10 JFEE CCCOc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)Nc1nccs1 2330747909 JPBYCUZWZMPZKT-UHFFFAOYSA-N 473.584 2.773 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2334270739 NVPRIZLZZOEGDR-RBSFLKMASA-N 463.409 2.960 30 10 JFEE COc1nc(O[C@@]2(CNC(=O)OC(C)(C)C)CCO[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2365381085 YAPBUIVGHYCUDP-NPMXOYFQSA-N 464.368 2.841 30 10 JFEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cc(OC)c1OC 20827141 ZNLFSOUTDOPSGN-BHGWPJFGSA-N 485.570 2.811 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(O)c2)c(OC)c1 170111847 AEFPAVLOJQSCFA-NRFANRHFSA-N 456.495 2.558 30 10 JFEE Cc1ccc(S(=O)(=O)NN=Cc2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 254372336 VIVRTCIGONZBOB-UHFFFAOYSA-N 475.504 2.983 30 10 JFEE ON1c2ccccc2N(O)[C@H](C[S+]=C2N=c3ccccc3=N2)[C@H]1CSc1nc2ccccc2[nH]1 575398731 UVUHEGSQSLNLFK-FGZHOGPDSA-N 489.606 2.620 30 10 JFEE COc1ccc(OC)c(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2C)c1 585848989 COHNZHHXSZYHFP-UNQHYNRVSA-N 453.495 2.911 30 10 JFEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Br)ccc3OCC)N2N1 588227176 QBGWLVPLHZXEHU-IBGZPJMESA-N 471.380 2.910 30 10 JFEE CC(C)[C@@H]1C(=O)C(C(=O)/C=C/C=C/C=C/C=C/C=C/[C@H]2O[C@H]3C[C@@H](C)O[C@@H]3[C@H]2O)=C(O)N1C 606564132 GHUJEWRHDMLFCN-PGWZAKLXSA-N 455.551 2.951 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)CC1 608893607 SZJNNNCVJBXEJK-UHFFFAOYSA-N 455.540 2.813 30 10 JFEE C=CCN(CC(=O)O)C(=O)[C@@H](CCN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 757559030 UNHSEIQIFCWZPZ-HSZRJFAPSA-N 465.550 2.945 30 10 JFEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1Cl 916937061 DFWMDHUEOBGQRW-NMVRNDPTSA-N 450.948 2.722 30 10 JFEE Cc1nn(C(F)F)c(C)c1CC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 920874931 GXBYGNHXDKIILP-IBGZPJMESA-N 493.536 2.960 30 10 JFEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(N(C)C)cc2)n1 1083982703 KYZHQHLHRMQMOW-UHFFFAOYSA-N 453.528 2.834 30 10 JFEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2ccc(COc3ccc(OC)cc3)o2)n1 1084119737 YLFBVLVBMZBETI-UHFFFAOYSA-N 474.499 2.796 30 10 JFEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)c1C 1084119825 WTOAXZSFAFUNEC-UHFFFAOYSA-N 467.559 2.939 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)ccc1F 1128006025 FNZBOKZHHNBKON-UHFFFAOYSA-N 458.519 2.950 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2cc(C)ccc2n1C 1138490165 GMENJKDUIVFEIG-KRWDZBQOSA-N 453.568 2.795 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC(=O)NC(C)(C)C)c1 1286311200 KUGGCRRTJYUVSC-FQEVSTJZSA-N 466.586 2.881 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1286312081 QXNAQKATUHOZEF-UHFFFAOYSA-N 463.586 2.876 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1286387965 JGIYNDYWNCKLAX-MRXNPFEDSA-N 480.928 2.865 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286391377 HQKPFVZAULQBMP-FQEVSTJZSA-N 491.683 3.000 30 10 JFEE C#CCN(c1nnc(CC)n1C[C@H](F)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1286393429 KWNYXAPWTZNQRM-IRXDYDNUSA-N 469.380 2.941 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286396752 WHKOSOCZYQBPHR-NFBKMPQASA-N 460.575 2.609 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1286414291 VEZCNJRVEYBXTA-GOTSBHOMSA-N 498.672 2.822 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286477226 SIEVLEKCGBSSCM-LJQANCHMSA-N 455.607 2.588 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN(C)C(C)C 1286516258 FIPUQVAKXDIRQE-NTKDMRAZSA-N 472.659 2.769 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286548516 OLMZEEJZSATVGB-HZPDHXFCSA-N 453.385 2.620 30 10 JFEE C=C(C)COCCn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1286614722 WVFFLQGGKGIGRW-OFNKIYASSA-N 459.595 2.573 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 1286741721 JNJKNMWGWDCYHJ-OAQYLSRUSA-N 464.570 2.866 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286793570 YYLMUELXIHFVKF-DEOSSOPVSA-N 487.626 2.656 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(N(CC)S(C)(=O)=O)CC2)cc1 1286794452 HRWMUFVYUHLHHW-UHFFFAOYSA-N 497.625 2.599 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286821798 VKCIOCRNXLXINN-PBHICJAKSA-N 476.496 2.765 30 10 JFEE Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c(=O)n1C 1289683214 GYYOMLIUOMVAIR-UHFFFAOYSA-N 460.586 2.515 30 10 JFEE C#CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cn1 1297370188 UEFWNLDPWIURHX-UHFFFAOYSA-N 455.367 2.540 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)CC1 1297746965 GKACKYLYUNUYDD-HXUWFJFHSA-N 474.631 2.786 30 10 JFEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300394336 PPIKSRSIHQRVGI-SFHVURJKSA-N 482.654 2.718 30 10 JFEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300394509 SBKPDVFTLINYOA-UHFFFAOYSA-N 459.598 2.897 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300501306 JBAJHGRSXJDXHE-LEWJYISDSA-N 461.676 2.758 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCOC[C@H]1CCCO1 1300512787 NEOHNADYNATMJM-GOSISDBHSA-N 460.376 2.705 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC[C@H]1CC 1300517222 ZGJWAVBBQQHMNC-OAQYLSRUSA-N 453.612 2.686 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCS1(=O)=O 1300563110 DRUGYHQPMCWUIJ-UHFFFAOYSA-N 471.652 2.774 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1300604985 SBLJVBBKEFSRGQ-ZZEZOPTASA-N 456.453 2.532 30 10 JFEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H](F)c1ccc(Br)cc1 1300674787 GACPUANZTDIKFS-SFHVURJKSA-N 478.366 2.960 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1300683242 XYNQWZFWXHKLKJ-RBBKRZOGSA-N 450.587 2.718 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300708102 NDVDTTGQMHMELN-SFHVURJKSA-N 496.356 2.799 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300829642 JQTVSORLJPHJFM-ZDUSSCGKSA-N 499.211 2.511 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301004209 VULQRHDAUPFGPS-UFYCRDLUSA-N 463.623 2.726 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301185435 DAHKQKWVQKZMKJ-QGZVFWFLSA-N 470.599 2.562 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1301579568 WENXPAJXJAWUES-HNNXBMFYSA-N 461.617 2.861 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1313659382 HGCOJOYUMALBFB-PZJWPPBQSA-N 487.674 2.655 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1358906422 HTGBHZLFHZZSDB-UHFFFAOYSA-N 486.642 2.782 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1358965744 AHODMMUTXOBFHS-VXKWHMMOSA-N 485.654 2.667 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966143 ISVCPRFSHPTWBS-BHDDXSALSA-N 486.638 2.732 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1358994874 YAWVCKRTPPFFDM-HXUWFJFHSA-N 480.569 2.501 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)OC(C)(C)C 1359002372 XBPLGUVZDNZVSI-UHFFFAOYSA-N 489.646 2.921 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1359039501 LNSDTVWLIGYUFG-SFTDATJTSA-N 453.587 2.826 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1359041981 NUZKCAXRSMPDQD-AFMDSPMNSA-N 499.587 2.503 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1ccccc1F 1359063863 GHMASUDRBCDULM-DRSNIGMVSA-N 463.579 2.877 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359127512 SEGKVCSKEVGPOR-KRWDZBQOSA-N 484.022 2.746 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359217093 NQDUQNBYJQOUBG-NHCUHLMSSA-N 490.649 2.711 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359228479 FBMTXXYMZJFWKW-SFHVURJKSA-N 455.529 2.805 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1359293898 CSETZYDKQUQNAC-UHFFFAOYSA-N 495.584 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCSCC1 1359334900 UIZQRTHBGDKOOC-UHFFFAOYSA-N 487.445 2.774 30 10 JFEE C#CCCN1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)CC1 1442672799 DJDXBDNBIHQDLY-UHFFFAOYSA-N 456.266 2.830 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)ccc1F 1444148533 JVKNUBPKIFKUPI-UHFFFAOYSA-N 455.552 2.857 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 1446635275 SALNSQAZZYTOTI-UHFFFAOYSA-N 455.330 2.554 30 10 JFEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(NC(=O)N2CCOCC2)CC1 1460277442 HUBFQOMMPSSKPY-INIZCTEOSA-N 459.616 2.722 30 10 JFEE C=CCNC(=O)Nc1ccc(NCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 1461211970 NXRYXMXEPDVBCI-UHFFFAOYSA-N 454.527 2.852 30 10 JFEE CCCN1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1501043891 HXVOHQTYRPSWNP-WMZHIEFXSA-N 489.621 2.512 30 10 JFEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1)C(C)(C)C 1504001128 AJTKTEINOKFMJA-TZIWHRDSSA-N 454.575 2.895 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCCC2)c1 1507539075 QXJPNAFPIVLLKX-HKUYNNGSSA-N 457.600 2.793 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(C)c1 1507589036 UAWKIVQBHKLKDD-LEWJYISDSA-N 457.600 2.674 30 10 JFEE C#CCN(c1nnc(C)n1C[C@H](F)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1507624851 FGECLKULMAFYFC-IRXDYDNUSA-N 455.353 2.687 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCCCC1=O 1507637800 TZBRIECYRJQMBT-UHFFFAOYSA-N 481.000 2.727 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507679223 SKXRSFKGGPBECM-SANMLTNESA-N 467.614 2.659 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccccn2)CC1 1507735491 WZWFMELJUDKKPS-UHFFFAOYSA-N 474.565 2.566 30 10 JFEE 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C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540133362 HSJJLMAYIXOLHP-QFIPXVFZSA-N 466.611 2.738 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2ccc(OCC)cc2C1 1540903125 YXSFSWRYTSPQAZ-IBGZPJMESA-N 460.600 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1540905100 SJRHTFUJSFGENH-LJQANCHMSA-N 485.614 2.755 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCSC(C)C)C[C@H]2C)CC1 1541003228 YWOKYCUTNSSRGO-XXBNENTESA-N 481.670 2.947 30 10 JFEE COc1ccc(C(=O)N2CC[C@@]3(CO)CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C2)c(OC)n1 1548366561 GDXDMEDHVMNMLZ-MWTRTKDXSA-N 490.482 2.950 30 10 JFEE CC#CC[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 1557362691 MFNIXQHIQRDRAU-KRWDZBQOSA-N 451.342 2.754 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588045832 RLAUKCWOZHZWAV-JOCHJYFZSA-N 480.638 2.708 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1588064542 JYPJWOHBUVFWFH-XZOQPEGZSA-N 484.670 2.545 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1588073735 COBREOUKWRUEBJ-FCHUYYIVSA-N 471.627 2.651 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1588228075 AGPXEASIIMLNNU-QFIPXVFZSA-N 496.656 2.720 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1588280065 FNTXGGPNRRQVOM-UUOWRZLLSA-N 456.543 2.769 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1588445753 RKTYXQQFODKTJE-OAHLLOKOSA-N 454.522 2.613 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1589150187 CMDADKFNKDUUPK-VBKZILBWSA-N 496.431 2.700 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1593800488 PHXRZZIIKPSZNQ-QGZVFWFLSA-N 480.057 2.518 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1594783491 CGEWJJGLJNRHHE-UHFFFAOYSA-N 484.576 2.598 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1594783970 MZNXNMLWHZIXQH-LJQANCHMSA-N 476.622 2.800 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1595161633 GSZDNRCFGMHYES-GOSISDBHSA-N 490.630 2.977 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1595234571 UWDLJKHXTUAWFK-SQJMNOBHSA-N 453.587 2.990 30 10 JFEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595319562 YJYXEVXMCGARHL-IRXDYDNUSA-N 466.546 2.535 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1595335697 YVWQTYBADALOPB-UHFFFAOYSA-N 458.613 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](CC)C1 1595766866 ZJILUKHRPVFOOV-OAHLLOKOSA-N 488.477 2.979 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1595884946 XIDSIRXJYXLEQG-QGZVFWFLSA-N 495.646 2.574 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1615905769 GNCJOFWGPKOWLO-HNNXBMFYSA-N 491.390 2.607 30 10 JFEE CC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NC(=S)Nc4ccc(C#N)cc4)CO[C@@H]23)c1 1616135412 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30 10 JFEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3c[nH]c4ccccc34)n2N)c1 1084474353 RZTRXRWJHOBABK-UHFFFAOYSA-N 463.527 2.608 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)ccc1F 1128095246 KNBGHUWHTOECFX-UHFFFAOYSA-N 455.515 2.671 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)s1 1136446521 LOYZXYISFIEPHR-CQSZACIVSA-N 455.552 2.676 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)ccc1F 1137840963 LTKPRDDBTLTFGB-UHFFFAOYSA-N 458.511 2.991 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)s1 1142103749 TWWIFDFNVYMARD-UHFFFAOYSA-N 453.552 2.630 30 10 JFEE C#CCCCCn1c(N2CCO[C@@H](c3noc(C(C)C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1286334516 ICUMXVVYCBHYTE-WZONZLPQSA-N 458.563 2.818 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286387219 BLWSVGPVCJAOKT-JTHBVZDNSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389453 KHAMRTRQHXSELA-UNMCSNQZSA-N 478.622 2.800 30 10 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C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1286820305 JBFTXMQCSKWSKV-NRFANRHFSA-N 492.617 2.834 30 10 JFEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286834815 JUSYAMNGCBCUOZ-IBGZPJMESA-N 470.599 2.557 30 10 JFEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@H]2C)CC1 1286871459 OOUAKIYPFSLHOL-PXDATVDWSA-N 493.656 2.748 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCN(C)CC(F)(F)F)CC2)c1C#N 1290576283 CPQMZIKFKRIKQI-UHFFFAOYSA-N 467.544 2.526 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1cccc(C(N)=O)c1 1291601244 DPNORGLHKQCSKU-SFHVURJKSA-N 458.570 2.726 30 10 JFEE CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1294584031 CKNBCWJCEXLILJ-GOSISDBHSA-N 459.558 2.934 30 10 JFEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOCC2)cc1 1296801432 BVGDCPXILAXYFC-CYFREDJKSA-N 472.565 2.981 30 10 JFEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300341380 GNFJKNDAGCZVBJ-OAQYLSRUSA-N 492.624 2.766 30 10 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30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(Oc2ncccc2F)CC1 1359297699 ZEZFJMJBNUTJED-UHFFFAOYSA-N 454.481 2.968 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359303150 FUIMVYDGHQPPIB-FQEVSTJZSA-N 465.602 2.872 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1Cc2cccc(Br)c2C1 1359335193 CYZRYOKOTHVKIP-UHFFFAOYSA-N 455.378 2.698 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Cl)cn2)C1 1359557200 FEIBYBNOKOROLL-SJLPKXTDSA-N 490.996 2.671 30 10 JFEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359761475 ICHZBAMBAMCNEV-VLCRHTCISA-N 486.642 2.738 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1499986622 HOZDLRWUXNRTMR-HOYKHHGWSA-N 476.589 2.603 30 10 JFEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1503762504 GMONYLMQBXVNQG-QGZVFWFLSA-N 481.601 2.940 30 10 JFEE COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCCS1(=O)=O 1504447253 AKLGWCQSRBEVBI-JOCHJYFZSA-N 490.655 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453.431 2.951 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589421350 JMWAFMKKXUCCOW-UHFFFAOYSA-N 495.328 2.576 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](COC)C1 1589570560 VMLFZVMDZMWWNQ-HARLFGEKSA-N 458.559 2.699 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1593711738 IISXECPVXYCPQY-CYBMUJFWSA-N 475.434 2.985 30 10 JFEE C=C(C)COCCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@]1(OCC)CCOC1 1593769697 PQILSOBREZOPJV-DEOSSOPVSA-N 456.591 2.547 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1593886988 VILLXKZSENIBCK-QGZVFWFLSA-N 483.997 2.725 30 10 JFEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1593894752 GFFZJMRNLRJLRL-NRFANRHFSA-N 468.989 2.578 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1595516775 IMNMOVFRXOEOAM-UHFFFAOYSA-N 497.518 2.938 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC[C@H](C(=O)NC)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1595640433 XKXJJEGHGDMFOT-HFZDXXHNSA-N 483.613 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ZSRJDGXQULLICC-UHFFFAOYSA-N 466.439 2.661 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358959180 DEWPZBHXCXPJLF-GPMSIDNRSA-N 493.427 2.759 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1358961191 SXNMZAHZGWUHME-LJQANCHMSA-N 455.559 2.682 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1358966845 XVUIQWZRXYUDHO-HXUWFJFHSA-N 481.603 2.774 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)c(F)c1 1358979811 YHGKAHDDWDUVJC-HXUWFJFHSA-N 471.508 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1cc(C)oc1C 1358985979 LCPHDZQWMKXQKM-RPBOFIJWSA-N 454.571 2.899 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COCC(F)(F)F)c1 1359009101 ILIVQQMVTWUYBN-GOSISDBHSA-N 470.517 2.767 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2ccccc2)N2CCCC2)CC1 1359028436 RVWDTLIWSCXMLJ-XMMPIXPASA-N 477.657 2.789 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)cc2)CC1 1359030948 LFXOPVCAYJZSNE-UHFFFAOYSA-N 455.360 2.848 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1359037133 WTVSCUAZWUDQNH-LJQANCHMSA-N 470.593 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N3CCSCC3)CCCCC2)CC1 1359047870 WNSJNKTZANQPFZ-UHFFFAOYSA-N 488.702 2.532 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1359132098 NKMIXRNCWJWYNJ-KRWDZBQOSA-N 488.589 2.950 30 10 JFEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359135336 ABKHCNJMTRSDKT-RBBKRZOGSA-N 453.587 2.722 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 1359150574 BHMOFKGHWWZMGS-INIZCTEOSA-N 460.387 2.653 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1359182610 MVIUHFXOCZCPAM-FCHUYYIVSA-N 499.704 2.933 30 10 JFEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359225365 WMXJJTBHFZQHCG-GOSISDBHSA-N 458.563 2.663 30 10 JFEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359227398 AEEPHPCKGFNNGE-WIOPSUGQSA-N 480.657 2.759 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359328379 BIGXIROWZDAQOJ-LJQANCHMSA-N 468.627 2.728 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1359329754 STKNFCFKBVIADM-UHFFFAOYSA-N 472.640 2.946 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1359331519 BKYJSZXVQQUICF-NZQKXSOJSA-N 495.045 2.958 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359332547 AFYVFVGDPSVIFD-MRXNPFEDSA-N 455.625 2.571 30 10 JFEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1 1359486691 CGEDZYOWUOGHDP-ZWKOTPCHSA-N 468.583 2.624 30 10 JFEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C 1360123348 FPXFWHAJSKTYBM-UHFFFAOYSA-N 489.628 2.912 30 10 JFEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)CCc3c(C)nc(O)c(C#N)c3C)CC2)c1 1360384524 BOBUGLTWSVNNAL-IBGZPJMESA-N 450.539 2.655 30 10 JFEE Cc1ccc(C(=O)NCCn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)cc1 1361119844 BZBXGKHPFOGUKL-SFHVURJKSA-N 494.625 2.573 30 10 JFEE C#CCN(C(=O)CN(CCOC)C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1455812314 VXCGXSUNGUHBFZ-UHFFFAOYSA-N 453.580 2.731 30 10 JFEE C=CCn1c(SCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nnc1-c1cccc(OC)c1 1458981810 PFFMKEWIOPOKIX-FQEVSTJZSA-N 454.600 2.924 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1499986480 GVJGGTUSDCJTKC-SIKLNZKXSA-N 477.613 2.960 30 10 JFEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1501295846 DLXRCHGGSDFFPF-OAQYLSRUSA-N 472.615 2.638 30 10 JFEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1507625123 GMBJSKZTUQPCOU-LJQANCHMSA-N 467.595 2.855 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507626138 DCYWCDTXQQAGNK-AUSIDOKSSA-N 460.600 2.805 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507635692 YRECCNSXMHMYCB-KRWDZBQOSA-N 489.548 2.621 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1C 1507693549 CMOSAVUAJDPXAG-GOTSBHOMSA-N 450.631 2.775 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)cc1OC 1507703812 FVEFYVZGAWUOCS-UHFFFAOYSA-N 496.637 2.998 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCC(=O)NC2CC2)CC1 1507721860 MSKWNEOFSJTCQF-NRFANRHFSA-N 464.614 2.849 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1507752349 YZFJITGFCHGACE-LJQANCHMSA-N 457.575 2.640 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C)CC1 1507804529 KFUNZOBJBDHZAJ-FPOVZHCZSA-N 482.633 2.603 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)N(C)C)CC1 1507880842 NEFGNFTXGPZNHX-UHFFFAOYSA-N 454.394 2.755 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CC2)CC1 1507964829 LWTJRNOUZRLWNL-OAQYLSRUSA-N 490.649 2.711 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C1 1508126023 QNMNSYWZJKEAPX-AEFFLSMTSA-N 468.526 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508133028 BPKGHJQHJHELAL-WMLDXEAASA-N 469.489 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C 1508149725 WPRIEYKVWZQGDX-UHFFFAOYSA-N 469.011 2.668 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 1508150265 IDGGPTZZHCHAHI-UHFFFAOYSA-N 474.450 2.968 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC[C@@H]1CCCCO1 1509664343 IDKAQZBQUIQUOM-NRFANRHFSA-N 465.602 2.964 30 10 JFEE Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)n1 1511450910 CSDQLWYBHZSZDX-OAHLLOKOSA-N 474.612 2.778 30 10 JFEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(F)(F)F)c1 1518379747 BJMZYEXIWBFOMR-AWEZNQCLSA-N 458.448 2.893 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCn2cc(Br)cn2)C1 1521069221 GLAFMCMRTXWMJU-IBGZPJMESA-N 459.327 2.755 30 10 JFEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1538383298 DZGJSHLPQRQMGW-XLNZFTOWSA-N 456.543 2.584 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCC=CO2)c1 1539040321 QWOOCXSWUIIIIK-PXDATVDWSA-N 465.554 2.679 30 10 JFEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539125234 XKMAZPNPWVCRAO-SFHVURJKSA-N 455.006 2.725 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539202018 DYKGWVTXTADRLC-YADHBBJMSA-N 455.628 2.865 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1539224617 IOLAOCHUOSYTBX-GOSISDBHSA-N 457.625 2.730 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539332022 CWZYXPPJICSWST-HXUWFJFHSA-N 460.611 2.894 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1539371394 UDGUFQBRLOKQGA-UVPKRVSESA-N 473.618 2.987 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(F)c2)CC1 1539469007 MBQFVNJBFLBKLC-AREMUKBSSA-N 483.588 2.666 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1539469741 FXLWTMIAQYERRE-UHFFFAOYSA-N 478.984 2.620 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(=O)N(C)C)CC1 1539507533 XZSIPBNVCRAHQI-UHFFFAOYSA-N 469.611 2.777 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1539525913 FSLIBHFNNRTCLH-OAHLLOKOSA-N 478.416 2.688 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1539802892 BPXDZZITYIBHOW-PXNSSMCTSA-N 456.012 2.690 30 10 JFEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540856144 WCLMHKPBGTXADA-UHFFFAOYSA-N 463.604 2.787 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](C(C)C)C1 1540864177 RTLQNTYYTCMNTJ-HNNXBMFYSA-N 453.410 2.916 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2cccs2)CC1 1540875062 AKGZQMBFSNNZMV-UHFFFAOYSA-N 470.574 2.682 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1540925025 VNMIJEXNUYBMBO-NJDAHSKKSA-N 476.691 2.866 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)C1CCCC1 1541111015 CHZLBLAHARRQRQ-QGZVFWFLSA-N 458.636 2.708 30 10 JFEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1541259670 GDKAPXSMMNIWPX-UHFFFAOYSA-N 486.642 2.725 30 10 JFEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cncn1C)CC2 1548379230 KBVKIZYJCKIVQL-LJQANCHMSA-N 488.514 2.758 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1555985064 HUQINAJPHAPURN-IBGZPJMESA-N 452.460 2.841 30 10 JFEE C=CC[C@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1586172391 KWAGGWMHKBXTKS-HBUWYVDXSA-N 454.511 2.766 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1587620473 FUOFBZLHYBCZDX-QGZVFWFLSA-N 491.596 3.000 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1588065482 ZSTUMEWMLCKSQK-LJQANCHMSA-N 478.565 2.744 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc2ccccc12 1588388178 YAPIXHQJMLTSKH-IBGZPJMESA-N 473.624 2.528 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c(C)coc2C)CC1 1588732996 JNAVAURAWRXOHB-UHFFFAOYSA-N 466.973 2.875 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OCC(C)C)cc2)CC1 1588753028 ZTSAMGDGEKJVLA-AREMUKBSSA-N 467.614 2.769 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C2CCCCC2)N(C)C)CC1 1588914086 WBJKZXXIMIDWSN-HSZRJFAPSA-N 465.646 2.760 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1589116473 JXSWNJWZCUNGJT-FDDCHVKYSA-N 458.584 2.616 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1589483211 NIRPVNKSUDLWTN-BWAGFHJFSA-N 485.633 2.972 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)NC(C)C 1589496039 VVFQUVMQQMVIIA-KBXCAEBGSA-N 465.396 2.978 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1589506205 STLJRGKYFIMRMA-HOKHCIIBSA-N 496.656 2.972 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1589579407 KYATYYINLSBMDY-CYRMBFQRSA-N 477.650 2.529 30 10 JFEE 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C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705825360 RJJDOFWZNKXJGS-DEOSSOPVSA-N 468.558 2.771 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)(=O)CC1)C(C)C 1705867157 IWYATPPVFMQAEL-FQEVSTJZSA-N 487.626 2.607 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705896935 CBJVVMSFOFJFRF-OAQYLSRUSA-N 450.587 2.571 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705907030 YCDPZMSTNBZYMD-QFIPXVFZSA-N 481.519 2.997 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)CC)C1 1705921597 VTOAANSZFFOKSF-HNNXBMFYSA-N 469.405 2.924 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1706076799 CWOJNCFWIGWUSG-CTNGQTDRSA-N 493.637 2.766 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1706632567 BOLVYDKIROBBPO-FQEVSTJZSA-N 465.602 2.720 30 10 JFEE Cc1cccc(CCn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)n1 1707611380 BWZOSLVSWDXKIP-UHFFFAOYSA-N 450.568 2.776 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722320494 ZUPXHYUJVFXRJU-CLOONOSVSA-N 470.618 2.913 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1722349947 HBHGYOCNWYIXBT-YTTGMZPUSA-N 452.584 2.607 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccsc1 1722384407 QIBSVPKZNXRBDN-NTKDMRAZSA-N 485.610 2.629 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CCc2ccccc2C1 1722425745 KYVCCHOPBNCDNU-UHFFFAOYSA-N 450.612 2.778 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2nnc(C)s2)CC1 1722433586 ASXUDUAOVDEMGF-UHFFFAOYSA-N 467.599 2.510 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2(SC)CC2)CC1 1722451128 XQJLPJBONMFAET-UHFFFAOYSA-N 469.611 2.727 30 10 JFEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722456773 FMLFRZAKFXEROE-UHFFFAOYSA-N 453.612 2.695 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1722475034 RWLNHINOISXJJH-HSZRJFAPSA-N 480.560 2.766 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(OCCCOC)CC1 1722522054 RAJXIVKLQVWVBY-UHFFFAOYSA-N 462.620 2.836 30 10 JFEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722626974 QRCFPCMRYUNLDY-UHFFFAOYSA-N 482.610 2.752 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCN(C)C1 1722661209 WVBGEJTUGMBRQL-DEOSSOPVSA-N 453.566 2.538 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1722663697 GABDCXJNYLEFFV-AEFFLSMTSA-N 465.645 2.911 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1722689658 VWEJFOPKPZPOIQ-KRWDZBQOSA-N 487.406 2.695 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2nc3ccccc3s2)nnc1[C@@]1(OC(C)C)CCOC1 1722704842 XSELRYLHDAVNEU-HSZRJFAPSA-N 470.599 2.867 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cccs2)C1 1722720231 IRYXYNQSDCVLMK-KRWDZBQOSA-N 458.613 2.907 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1722728604 YAYNPPXZPJQLGL-UHFFFAOYSA-N 468.583 2.633 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1722729270 HQBPULDRUGEMKW-NRFANRHFSA-N 453.568 2.912 30 10 JFEE CC(C)C(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C#N)cc1 1723089774 GAWQVUAAWDTEOP-UHFFFAOYSA-N 487.612 2.732 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CC#N 1725818465 GOPPMEHRGBZCJT-FQEVSTJZSA-N 475.645 2.780 30 10 JFEE CCN1CCN(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)CC2)C1=O 1728624774 FCXHCIJFUNHEKM-VWLOTQADSA-N 465.602 2.950 30 10 JFEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2)CC1)S(C)(=O)=O 1729389129 DLZYJSAVCUAZML-FQEVSTJZSA-N 474.656 2.963 30 10 JFEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCOC1 1729946865 HTBXCXKUBRTOEL-DFBJGRDBSA-N 482.585 2.973 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](Cc1ccccc1)OC 1740601650 HBTQTKMQABDIOW-HXUWFJFHSA-N 466.611 2.874 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1cccnc1-n1cccn1 1740643382 HYRJUVUSSZBHLB-UHFFFAOYSA-N 453.506 2.568 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)CC(F)(F)F 1740652953 UABAFNMZNRIZTG-UHFFFAOYSA-N 495.575 2.585 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1740660702 ZZGHATRFIFSADC-LJQANCHMSA-N 481.988 2.722 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740670626 RBDHBDZQLVAZCP-UHFFFAOYSA-N 452.534 2.722 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1740678281 HXTFIOBCYMOJLB-FPOVZHCZSA-N 470.643 2.745 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC2(C1)OCCO2 1740681306 GQEOSUYUWKSIOU-SFHVURJKSA-N 456.543 2.592 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)C(C)(C)C)CC1 1740691985 PTGXNUDENNZWTB-UHFFFAOYSA-N 480.034 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnn(C)c2C)CC1 1740702598 TWDFPXAWKNUFJA-SFHVURJKSA-N 479.560 2.613 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OC(F)F)c2)CC1 1740705643 KDHFDXCRVIXWNV-UHFFFAOYSA-N 460.529 2.877 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1740707320 YDTSTCLNYVLPFI-PMACEKPBSA-N 465.598 2.658 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740717630 XJKGBOWIEAGSHY-CPUCHLNUSA-N 463.456 2.567 30 10 JFEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740864773 QALLBMILGOKRTG-YPAWHYETSA-N 458.651 2.955 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCc1nccnc1C 1740913792 HMYMLARSVMFYJV-UHFFFAOYSA-N 456.554 2.920 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(Br)o1 1740961600 FSGPEEWBZLDNIW-UHFFFAOYSA-N 484.358 2.811 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740968514 CDYZXQLBJMGHOI-JOCHJYFZSA-N 489.642 2.898 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(c2ccc(O)cc2)CC1 1740993395 ZTTQBTQIRRXOCH-UHFFFAOYSA-N 467.595 2.954 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1748641448 GYQSHONAZXVZHV-MHECFPHRSA-N 454.575 2.918 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1748753656 QSVAIMGRAHHDOS-KRWDZBQOSA-N 463.554 2.565 30 10 JFEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1748755262 IHBFEXIUJYHSPL-GOSISDBHSA-N 477.594 2.775 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748808514 DTOVNULRXMRJFY-MRXNPFEDSA-N 477.924 2.947 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748819164 LUXHQRKWLVIVOE-JOCHJYFZSA-N 487.645 2.899 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCC(F)(F)C2)CC1 1749001185 KZYKUMWSZKXWIT-UFYCRDLUSA-N 451.562 2.973 30 10 JFEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749026240 IRSQUDDRNLBMTP-LJQANCHMSA-N 498.678 2.968 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749040486 YOJCLYPYNNKVNI-UHFFFAOYSA-N 467.668 2.971 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749047287 TXWPYBLKTDIJNS-NRFANRHFSA-N 459.591 2.664 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)C(=O)C1 1749123907 JHQSTDQSNTXSLT-UTKZUKDTSA-N 459.978 2.875 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749182910 KRACYDUCXXQNQM-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749683505 VUFHHHSFAXBXMC-TZIWHRDSSA-N 490.649 2.804 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCCS2(=O)=O)C1 1749714433 JXZNAEXZFDIWSH-WOJBJXKFSA-N 460.600 2.626 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1750790647 BVMCDVIGCIWUGM-UHFFFAOYSA-N 472.615 2.732 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1760182653 HUJBFVJSRXRMHU-SFHVURJKSA-N 457.537 2.590 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760188587 BYWWYTFWYSGDTB-JOCHJYFZSA-N 493.633 2.877 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1760196116 KXZFNYULUGZZGB-NTKDMRAZSA-N 459.591 2.552 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1760220562 OGVOFCYAZUCYIX-DEOSSOPVSA-N 467.621 2.938 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCS2)CC1 1760252203 NJDXNWYUKJTWJP-LJQANCHMSA-N 459.019 2.512 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccccn2)CC1 1760263669 KKSHWTFJJMOFTI-NRFANRHFSA-N 465.602 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2F)CC1 1760266038 ONXBTKGMKGWLRN-VWLOTQADSA-N 487.551 2.611 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760279613 HGSUFCLJYXDRFZ-UHFFFAOYSA-N 453.616 2.721 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1760326955 AEURBYODVLXLMU-QYZOEREBSA-N 497.662 2.812 30 10 JFEE C=C(C)COCCn1c(N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1[C@]1(OCC)CCOC1 1760361690 POSPVKKCYLXPCJ-QHCPKHFHSA-N 457.531 2.994 30 10 JFEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1760418975 CQXJEMKGURMPPM-NRFANRHFSA-N 490.626 2.913 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1760510443 YFAFLAXBPQONAN-GOSISDBHSA-N 456.547 2.508 30 10 JFEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1761040725 AIMPUVDTBLASID-ZEQRLZLVSA-N 493.656 2.869 30 10 JFEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCCCC1 1761432633 BNYVPYNQOPDBTG-UXHICEINSA-N 465.602 2.518 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOC[C@H]1C 1763232291 CVSKHVKOTDNSDA-RBUKOAKNSA-N 475.638 2.852 30 10 JFEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1)C(=O)OC(C)(C)C 1767351653 GBWBSCBJFCHVRS-FQEVSTJZSA-N 479.585 2.885 30 10 JFEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1)CC(F)(F)F 1767369971 AXAXZQLWHWYYNF-UHFFFAOYSA-N 452.481 2.838 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1769133198 BSPMBQSFXZUIAQ-KSEOMHKRSA-N 455.559 2.786 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2CC(F)(F)F)cc1 1771532544 FEQQSAJPOSBKJG-UHFFFAOYSA-N 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2([S@](C)=O)CCC2)c1 1689871668 BGGMQBPYBNLDNI-KGMZSHBCSA-N 469.611 2.877 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689986648 UNEZGLVWNAGYPP-NRFANRHFSA-N 485.654 2.702 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC)[C@H]1CCS(=O)(=O)C1 1689998554 POCMRTGATNMWLY-ROUUACIJSA-N 465.620 2.777 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@@H]2COCCO2)CC1 1690112332 VMTYSEJCFOLGCJ-WIYYLYMNSA-N 459.978 2.632 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCc2nc(C)no2)CC1 1690113135 AEOSSFADFOOSGN-UHFFFAOYSA-N 470.375 2.787 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1690154663 WCDPWARTTIPBNZ-UHFFFAOYSA-N 496.637 2.585 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1690163668 NDIHOYXZJRAJGF-UHFFFAOYSA-N 489.605 2.922 30 10 JFEE C#CCSCCn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186639 SIJKZBWTVZXKSC-NFBKMPQASA-N 473.647 2.735 30 10 JFEE 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490.626 2.959 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690749817 QMCSXHFLBGXBFN-UHFFFAOYSA-N 484.655 2.614 30 10 JFEE CCOCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1696221745 GPWKOXOQYSYRPA-QGZVFWFLSA-N 459.547 2.762 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705560779 KIAKKKSAMPCWRZ-IBGZPJMESA-N 478.565 2.657 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1705561821 WQEJSOICDPJTCH-OLZOCXBDSA-N 461.535 2.942 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1705569041 YMDQYPSQWMBQHK-YKSBVNFPSA-N 474.627 2.652 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705571383 YZQPFBWBDIZRBD-ZEQRLZLVSA-N 492.649 2.502 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc(C)s1 1705603386 OFPOCZQESXXFTO-CALCHBBNSA-N 455.588 2.720 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1705618459 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C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740788497 VKVKCVDCKJSISH-IRLDBZIGSA-N 489.642 2.793 30 10 JFEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1740963788 XGCPKKCWAJYTSY-UHFFFAOYSA-N 480.613 2.690 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1noc2c1CCCC2)S(C)(=O)=O 1741141182 HBFFRTSHJGYLLM-CVEARBPZSA-N 468.583 2.990 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](CC)N1CCCC1 1744086552 HUHQGHPDLCNXNX-QFIPXVFZSA-N 493.660 2.664 30 10 JFEE CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1(C)C 1746942154 DRUIRQJYESBHQJ-PWRODBHTSA-N 455.559 2.784 30 10 JFEE CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1747417045 CBAWLXDYBRPOLT-UHFFFAOYSA-N 472.659 2.885 30 10 JFEE CO[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748379017 APUOHDYPRHSVNI-KSZLIROESA-N 480.548 2.969 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC[S@@](=O)C(C)(C)C)c1 1748691931 OWUMBQDMTXPGAP-MGBGTMOVSA-N 464.595 2.944 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1748774971 ATZNKJHYVNURHJ-HTXNQAPBSA-N 489.761 2.957 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(Cc2ccccc2)n1 1748789055 HLMXKLFRUAMRKN-QFIPXVFZSA-N 491.596 2.949 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1coc(-c2cccs2)n1)[C@H]1CCS(=O)(=O)C1 1748801740 FQFVAXMNRXAONX-INIZCTEOSA-N 459.597 2.967 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1748883112 SAVHAHMIEOAKRI-RUZDIDTESA-N 454.578 2.808 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1748922690 IKMROULXNBNUHM-XMMPIXPASA-N 465.627 2.572 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2cccnc2)C(C)C)CC1 1748971313 LLDJUTRBNBFEGY-JOCHJYFZSA-N 451.619 2.787 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)NCC(F)(F)F)CC1 1748999494 YDSLTNWQTJMEJM-UHFFFAOYSA-N 492.546 2.723 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)SC)CC1 1749006514 QBTGUAJVQFSNEA-MRXNPFEDSA-N 457.600 2.680 30 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30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1359302913 XXDOXXFWSVWKCV-NRFANRHFSA-N 465.627 2.647 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)C2CC2)C1 1359321408 FYECOPJJWCUFCO-IECBHUPTSA-N 477.606 2.529 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359338183 OCUBRCBUYWMJPD-SFHVURJKSA-N 477.656 2.763 30 10 JFEE CC(C)CCN(CCC#N)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1459604848 BFYRLTKAIAXPAT-RTBURBONSA-N 450.605 2.685 30 10 JFEE N#Cc1cnc(C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)c(Cl)c1 1464869029 HAJFFZAPGXHUMI-UHFFFAOYSA-N 455.927 2.692 30 10 JFEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(F)(F)F)c2ccccc21 1465634863 ATTKRYZXFODQPV-CQSZACIVSA-N 452.458 2.641 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)n1 1467718141 YUQOIAGIJYOVOA-UHFFFAOYSA-N 452.536 2.988 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1cnccc1OC 1503103562 FXFJSNKVFSSIFX-UHFFFAOYSA-N 451.506 2.604 30 10 JFEE 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CC(C)(C)OC(=O)N[C@H](Cc1ccc[nH]1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268651336 AJOPJWFQBJEFMQ-CQSZACIVSA-N 462.381 2.845 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268707518 WEWPSRNLNRHQPJ-ZBFHGGJFSA-N 466.409 2.593 30 10 JFEE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(F)F 2268719939 MZOLXGQZHGQHJL-FQEVSTJZSA-N 475.367 2.997 30 10 JFEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281802697 NNDGESOMYDTIEC-HOCLYGCPSA-N 462.400 2.546 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)O1 2281823103 WWQBJAIIOALCMY-WBVHZDCISA-N 464.368 2.723 30 10 JFEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282044032 QVIISQRRCWADQC-XHSDSOJGSA-N 462.400 2.578 30 10 JFEE Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045002 XOFAPTKRULUGSX-ZIAGYGMSSA-N 482.818 2.938 30 10 JFEE CC(C)(C)OC(=O)NCCN(C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C1CCOCC1 2282193778 QJYRPLKKCOOWLM-UHFFFAOYSA-N 464.368 2.725 30 10 JFEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282488172 MDYUUECEIRCZSV-QFIPXVFZSA-N 484.399 2.753 30 10 JFEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 2282550189 VUCJKRSDIJVEPY-MAUKXSAKSA-N 460.380 2.980 30 10 JFEE COCC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C)NC(=O)OC(C)(C)C 2282691625 MMYPFRYGBDMHGS-SFHVURJKSA-N 462.396 2.954 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2282828957 XLOOHLFQACQJRK-SGRGSNTQSA-N 468.428 2.703 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2282837951 IIFSKKJIYVAHAK-MSOLQXFVSA-N 478.420 2.677 30 10 JFEE CC(C)(C)OC(=O)NCc1ncc(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)cn1 2282851260 ZOLJBFXPPFYCRX-UHFFFAOYSA-N 496.420 2.663 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]21 2282860664 DWYBUSBHQYBACM-GUDVDZBRSA-N 478.420 2.662 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2283111977 QKPUBBQHZOYDEW-CABCVRRESA-N 480.798 2.739 30 10 JFEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cc1 2283976571 FWIWBUGFZWOSOR-UHFFFAOYSA-N 474.392 2.579 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283977554 QOJBOZWCBHZDID-RBUKOAKNSA-N 458.364 2.510 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H](O)C(C)(C)C 2284064057 WBONWSDHRTVHEA-IRXDYDNUSA-N 463.384 2.620 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)[C@H]21 2284066403 UDESVYGWYWSTHS-RCCFBDPRSA-N 462.327 2.698 30 10 JFEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccs2)c1C 2296132946 QYQFODXZLPAODE-FQEVSTJZSA-N 487.578 2.624 30 10 JFEE C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2297639616 XTKJCJCPPRSNNR-GSGSAWFGSA-N 462.587 2.635 30 10 JFEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2312973276 QNMBTMOKSZWALH-GUTXKFCHSA-N 451.398 2.875 30 10 JFEE COc1ccc2[nH]c(C(=O)O)c(C=Nn3cnnc3SCC(=O)NC3CCCCC3)c2c1 2321869974 QKSWJVJRWSFTRE-UHFFFAOYSA-N 456.528 2.889 30 10 JFEE COc1cc(Br)cc(C=Nn2c(S)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1OC 2322038348 OBRMTFSUZXKSOQ-LBPRGKRZSA-N 468.377 2.953 30 10 JFEE CC(=NNc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C)c1ccc(O)cc1 2328610450 YSMRNDSXPSYNER-UHFFFAOYSA-N 452.902 2.677 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334264739 JUEAQEBRYQRQBL-ZCCHDVMBSA-N 464.393 2.602 30 10 JFEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCc1cccc(C(F)(F)F)c1 20914543 UWQWWAIPEDRZQK-KIBLKLHPSA-N 465.461 2.571 30 10 JFEE O=C(O)CO/N=C(\CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1 22054056 VUVDQEDHMFSZPZ-XAYXJRQQSA-N 468.529 2.840 30 10 JFEE in-vitro N#Cc1cccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c1 33114178 UDLHWUUESKKDJS-UHFFFAOYSA-N 497.558 2.959 30 10 JFEE CCC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 59890336 CSXZTEKWCYKVBP-HZHRSRAPSA-N 495.631 2.534 30 10 JFEE Cc1ccc([C@@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)o1 100446382 VXHCFGNFPLMWMW-UGUGFTGJSA-N 476.533 2.836 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c1 515762621 IEFHCWUCRHJXIF-UHFFFAOYSA-N 455.580 2.505 30 10 JFEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)Nc3ccc4c(c3)OCO4)c2C#N)C1 586349127 NSWGXZLUXKDUQU-ICNDJQDOSA-N 459.549 2.799 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCn1cnc(C(=O)O)c1 757348683 SHCQRVRTEOWOPG-QFIPXVFZSA-N 472.501 2.628 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1-c1ccccc1C 818243418 QTYYXIUNQVDSIL-UHFFFAOYSA-N 452.539 2.561 30 10 JFEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915447978 UARLXFOVOAWULX-LBPRGKRZSA-N 487.397 2.918 30 10 JFEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1ccc(N2CCOC2=O)cc1 916952516 HIWAKEHBTFBROH-NRFANRHFSA-N 496.545 2.779 30 10 JFEE COc1ccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cc1OC 1083909600 LFHCYMFCRNPNNT-UHFFFAOYSA-N 456.484 2.727 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3n2-c2ccn(C)n2)ccc1F 1131900798 JUJAUZQRBWSOMZ-UHFFFAOYSA-N 454.487 2.615 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCC(OC[C@H]3CCCO3)CC2)c1 1264809638 OCPJNXPEVRHFRB-FOJYNEPKSA-N 454.567 2.614 30 10 JFEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(CCOC)C(=O)C1 1286317242 DTAXGMADEXPVRW-UHFFFAOYSA-N 460.376 2.806 30 10 JFEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286339642 QDZWTQSVMKNIFK-HNNXBMFYSA-N 466.405 2.591 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286380745 DCIXGFUVVVIIEP-FYYLOGMGSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286385175 VLMROMRFDMBLRQ-IEBWSBKVSA-N 482.553 2.844 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286386753 GZSWLJUTEONDRB-XHDOVSQSSA-N 483.059 2.772 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1286392558 IMASNSIXQNKCRD-MOPGFXCFSA-N 454.662 2.578 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286397625 BNLLNHJYFGRADK-CIAFKFPVSA-N 491.702 2.555 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOc1ccc(Cl)cn1 1286407174 FIICEUAIFAFAFI-UHFFFAOYSA-N 459.897 2.794 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc([C@H](C)O)cc1 1286438854 JMWJPCQVJLWJSU-IBGZPJMESA-N 476.606 2.803 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCCC2(C)C)n1 1286470752 CNCDEXRWEWAZPB-BWKNWUBXSA-N 470.618 2.944 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCc2nccc(C(F)(F)F)n2)CC1 1286484886 ZRVTWFPPRMWHHJ-UHFFFAOYSA-N 489.477 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OC)CCCC2)CC1 1286486140 AKGURIQXMDQUDC-UHFFFAOYSA-N 466.542 2.778 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1286490534 XLWPGWIRZUEVLK-DLBZAZTESA-N 461.492 2.995 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)NCC)c2)CC1 1286493932 JGLTUXTWIQDCIC-UHFFFAOYSA-N 490.633 2.694 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1286496993 YFJRMVVKZXWUBS-FQEVSTJZSA-N 478.578 2.878 30 10 JFEE C=C(Br)Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286529951 BCTOOAXMTMYWEJ-QAPCUYQASA-N 453.429 2.689 30 10 JFEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1286542958 YNOSUCRFEVZLFG-HUUCEWRRSA-N 472.384 2.720 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1286551613 IPENKTDERCPBIQ-WWMYMODYSA-N 486.569 2.951 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286632994 GWAFBARZWHEYIE-UHFFFAOYSA-N 454.897 2.737 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCCC2)CC1 1286663191 IATLEKLOSSFGQP-IBGZPJMESA-N 451.637 2.984 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286709973 JMFTVSFFJHZVKJ-YJBOKZPZSA-N 492.502 2.941 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1286745420 VUDTYNLKDHQGGT-JWQCQUIFSA-N 473.593 2.717 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1286787431 FWAIXAIPWJFHCA-WBVHZDCISA-N 466.355 2.994 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286795424 BLQPUJWLSGDFLG-VWLOTQADSA-N 469.586 2.804 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1291388730 BRRCOKAIMMYOKH-OWHZGTRUSA-N 452.603 2.772 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1296247997 CCBIJYPLNZELPC-UHFFFAOYSA-N 486.624 2.819 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1cc(F)cc(F)c1 1297274852 FXJRIBVBTRIZGY-UHFFFAOYSA-N 453.497 2.929 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300481987 CRVVMQOKAADJLS-SGXKBVARSA-N 481.018 2.859 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1300502246 RMKHAUGZUDYTAM-SFHVURJKSA-N 463.401 2.599 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCc1ccco1 1300520430 JTMHCLSWJYXVKU-UHFFFAOYSA-N 482.338 2.698 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1300578225 JNRRLQHJBZHODS-UHFFFAOYSA-N 488.640 2.564 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCOC 1300581425 RXTUBMZTSXTKDE-FQEVSTJZSA-N 459.591 2.519 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC)CC1 1300723282 RDQXDWGKIDSUND-UHFFFAOYSA-N 461.570 2.612 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1300893243 YGHFUGJBIKSJKI-RDPSFJRHSA-N 453.587 2.986 30 10 JFEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1301166314 UEQCQHOFYUYRKS-QFIPXVFZSA-N 474.613 2.742 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301241408 QIMAXBHJURDXIN-ZIAGYGMSSA-N 485.404 2.722 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@H]2C1)C(C)C 1301366890 IZDLMFDZYXJTJE-XZOQPEGZSA-N 469.678 2.887 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301429116 ZYUNEQMNVIFUIB-HSZRJFAPSA-N 481.645 2.564 30 10 JFEE C=CCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301474267 XIAIWPCXXHYLQX-IYBDPMFKSA-N 453.609 2.638 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1301481228 JRVYGWYCAZGKMY-NRFANRHFSA-N 463.561 2.983 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccccc1 1301567873 MMKRQMKOIDIRPB-LJQANCHMSA-N 466.567 2.868 30 10 JFEE CSC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)CCOCC1 1302623584 HUZHEVIBXJQQRK-UHFFFAOYSA-N 460.629 2.922 30 10 JFEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)cc1Br 1309892982 VQWBMXWJVPIMFI-UHFFFAOYSA-N 450.196 2.930 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCOC2)CC1 1313948230 BYDUJQMCPIKUTQ-IFMALSPDSA-N 451.619 2.563 30 10 JFEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1358946952 NXXCHXZPOINZFL-UHFFFAOYSA-N 455.828 2.529 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1358961674 CYHAFNSGHTVSIK-PMACEKPBSA-N 474.652 2.877 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1358962440 PRBHXQHMZWJWTE-NRFANRHFSA-N 455.584 2.569 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2C)n1 1359027814 WYAVERKRKUXESO-NZQKXSOJSA-N 473.581 2.972 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC(F)F)cc2)CC1 1359028065 GGALHFFWPBAJRP-UHFFFAOYSA-N 460.529 2.601 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC2CCC(C)CC2)CC1 1359049245 LAVRBVAHBDRRDN-XBMUEBEBSA-N 483.704 2.819 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359050976 IUWZNNSWXKPKOQ-LBPRGKRZSA-N 454.419 2.802 30 10 JFEE C=C(Br)Cn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1359088311 HPSNCJLYEGPTIY-XEZPLFJOSA-N 469.302 2.995 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359135814 PMVNNFAYAZLBBU-QHCPKHFHSA-N 483.613 2.894 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359144181 ALEIZPPIHFCOKN-GOSISDBHSA-N 495.049 2.833 30 10 JFEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCCc2ccccc2)CC1 1359182709 RADZTFBQAKJHDA-GMAHTHKFSA-N 453.587 2.763 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359184590 TVBHSTKTWBMKOI-UYAOXDASSA-N 486.642 2.513 30 10 JFEE C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(N)=O)CC1 1359190959 JDHCGRORLBHXJI-UHFFFAOYSA-N 479.673 2.947 30 10 JFEE C=CCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359217922 RNEAXYUYAFEMSK-NFBKMPQASA-N 451.619 2.609 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(OC(F)F)c1 1359238789 WDTTYQKFJLUUEU-UHFFFAOYSA-N 453.453 2.859 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCC[C@H]1C 1359260115 SYUFUSXOQDYWQO-JLHGSKIFSA-N 465.595 2.771 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC(C)(C)C1 1359278672 CCGHOQBLRJDRKF-UHFFFAOYSA-N 467.412 2.785 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359306095 VSNOZNZOYCVFMT-QWFCFKBJSA-N 474.650 2.630 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncccc2N(C)C)C1 1359313770 RATWAGLRGRPGPK-NTKDMRAZSA-N 456.591 2.609 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC(OC(C)(C)C)C2)C1 1359321910 NKEUSVPVDVJREQ-NUVZVAJJSA-N 466.648 2.945 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(=O)N(C)C)c2)C1 1359327099 RVXBXHTUPLDHQS-FKBYEOEOSA-N 469.586 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(F)cc(C)c2C1 1359327224 WDDXBYAMPGCLDR-UHFFFAOYSA-N 484.557 2.536 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359327940 OPNOHTZNHUAAAI-RHSMWYFYSA-N 484.420 2.642 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(c2ccccc2CO)CC1 1359330148 IVALCTVVGWVDMW-UHFFFAOYSA-N 455.584 2.750 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1359438508 BYDBNILMPVCWHR-JOCHJYFZSA-N 465.602 2.567 30 10 JFEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1361284443 GVLQBDBSEVPAQU-HXUWFJFHSA-N 486.623 2.537 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)n1 1477706204 UVMLYQQZZBEMEJ-UHFFFAOYSA-N 455.559 2.899 30 10 JFEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@@H](C)O1 1494094187 FBALMAYSJUKXMX-ZVDOUQERSA-N 479.629 2.796 30 10 JFEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CCOC1 1502638135 DVEAYLCXVXIEIN-JOCHJYFZSA-N 455.950 2.988 30 10 JFEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1503358028 CWDWNURSOCDHID-AUSIDOKSSA-N 473.984 2.983 30 10 JFEE Cn1ncc(CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)n1 1503691460 IAZNATMIDQXQCA-MRXNPFEDSA-N 477.356 2.654 30 10 JFEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)(C)C 1505177708 HOQMQLGSKRGXMH-VQTJNVASSA-N 456.616 2.936 30 10 JFEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1507596861 PYSGANRXOYJDQR-JOCHJYFZSA-N 450.587 2.921 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507626134 DBHUCOWMCVGOQZ-WDSOQIARSA-N 476.574 2.727 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507628406 OFFWVYIRPSGMKY-QUCCMNQESA-N 492.045 2.574 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OCCC)nc1 1507645112 UIIXUVFUHOIARM-UHFFFAOYSA-N 463.563 2.654 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCN2CCOC2=O)CC1 1507719187 LMMMTHFUFJUTBD-GOSISDBHSA-N 472.977 2.669 30 10 JFEE C=C(C)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836665 VHSWZCMDHMEOPY-OTWHNJEPSA-N 457.579 2.727 30 10 JFEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507846682 TWIFWMSGPLVCLX-IBGZPJMESA-N 467.574 2.824 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1507914055 HHFRPHKKMRKDIN-GOSISDBHSA-N 480.679 2.720 30 10 JFEE C=CC[C@H](Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1507927856 FQVXBXUTKRRRDL-DZRGJMJISA-N 453.587 2.957 30 10 JFEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1507929607 SOBOTEKYEZAEPJ-LJQANCHMSA-N 467.636 2.841 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1508017624 TYPMAEQOIQMNEA-QFIPXVFZSA-N 450.587 2.665 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnc(C)s1 1508071461 CLFYPSMQFNLCJM-UHFFFAOYSA-N 464.393 2.750 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC(C)(C)C2)C1 1508111435 YFPMKPKNCXEEGI-LJQANCHMSA-N 453.591 2.829 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1508129493 CNVCXANZRKUDAT-NQIIRXRSSA-N 487.626 2.752 30 10 JFEE C[C@H](N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1)C(F)(F)F 1510142799 HOLFDWFNTPDNNL-KRWDZBQOSA-N 493.534 2.670 30 10 JFEE C[C@@](O)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1510233742 HZAOAPLLOUBZMR-FGZHOGPDSA-N 472.908 2.804 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H](C)C#N)CC1 1515936089 FNWQUXAQNOQTEV-IRXDYDNUSA-N 477.455 2.905 30 10 JFEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1517817469 DLGJYYJSSNJQSF-QFIPXVFZSA-N 473.585 2.728 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1518958608 FZVLAJCXJWIUPW-VWLOTQADSA-N 464.570 2.991 30 10 JFEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1)C1CCOCC1 1532933829 DGHMKGICUIEFBH-JOCHJYFZSA-N 459.612 2.620 30 10 JFEE C=CCCC[C@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1534843628 FJHYCYXBNHPZFW-KRWDZBQOSA-N 456.008 2.814 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCCCCC1=O 1539025448 IOYYPPYGLXJNKY-XMMPIXPASA-N 491.684 2.893 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1539203029 MUFDHHZCEVVLAJ-WVBUVRCRSA-N 465.019 2.979 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539210894 HQBLFHPYJCCOTI-UNMCSNQZSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539211066 FVERQRNHHNBZRM-HXUWFJFHSA-N 484.651 2.927 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1539211205 JDYLMYHFDCMLLS-OAQYLSRUSA-N 496.637 2.790 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539219917 OOCHADPZQWLDPL-CEWLAPEOSA-N 477.030 2.964 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539223262 ZZOUFJIRRNZNKB-PKOBYXMFSA-N 458.584 2.648 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1539230419 HJZCYBYQKCREPH-GOSISDBHSA-N 460.625 2.542 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1539562986 FHGJQVDKFMVUDQ-SQJMNOBHSA-N 450.587 2.704 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1539575182 YPLINVVXNRLJBO-FUHWJXTLSA-N 497.463 2.508 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539619254 DURVSPOYAFEUDR-ADSMNUKGSA-N 469.586 2.906 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](COC(C)C)C1 1539644748 IOWZHQNDLDMZCU-FXTUREPZSA-N 464.607 2.614 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539688761 NPGPSXMCAAEDFL-GOSISDBHSA-N 461.588 2.543 30 10 JFEE C=C(C)Cn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539733726 MNBNZSTWEHNPKF-XMMPIXPASA-N 489.642 2.796 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1539803378 IKZWISBPBPUVES-INIZCTEOSA-N 471.002 2.547 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1540122241 SJMHIBOTIBUUCH-OAQYLSRUSA-N 474.569 2.646 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1540864248 SYEVYYRNMBXWHC-INIZCTEOSA-N 487.406 2.596 30 10 JFEE C=CCn1c(SCC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)nnc1-c1ccc(Cl)cc1 1544114436 JCGANCXYQZFYRP-KGLIPLIRSA-N 455.005 2.911 30 10 JFEE CCc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@](C)(O)CCOC)cc1 1546215348 CNHPSCBSFGIAGH-SANMLTNESA-N 492.628 2.535 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1547355934 CLEFVEVKPTUGPV-IBGZPJMESA-N 454.556 2.678 30 10 JFEE N#Cc1ccc(N2C[C@H](C(=O)N(Cc3ccc(C(N)=O)cc3F)C3CC3)CC2=O)cc1Cl 1556819172 HADUCMCXZWOVHL-MRXNPFEDSA-N 454.889 2.994 30 10 JFEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCOC[C@H]2O)c1 1558208230 FEKKVGVDRBFZMF-NHCUHLMSSA-N 480.970 2.610 30 10 JFEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC)[C@@H](C)C1 1587783749 WQTKVOMBBWSKFO-DEOSSOPVSA-N 463.674 2.977 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)OC[C@H]2C1 1587818010 NQSIVZFFKWNKHN-CQSZACIVSA-N 460.332 2.770 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)c(OC)c1OC 1588251556 RDSZEMVFNMDAJX-UHFFFAOYSA-N 462.554 2.677 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCc3ccccc32)n1 1588698076 YSOKAUPBPHCTMP-SANMLTNESA-N 462.598 2.892 30 10 JFEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)C 1589295388 FRQHEHJJAGFETD-UHFFFAOYSA-N 483.798 2.731 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1589505746 NZGPAOYXPVIDIC-CECAUBDESA-N 455.559 2.610 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1593730182 TUZZBKMGDAIEKJ-FGZHOGPDSA-N 481.645 2.750 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNC(=O)[C@H](C)CCC)CC1 1594036313 RIUPEWPWVKTDSG-LJQANCHMSA-N 488.658 2.904 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1594680077 MYUHPBYNURKKAN-ROUUACIJSA-N 484.667 2.938 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@H](C)C2)C1 1595688494 KLYMRGLBLWVUSA-PZJWPPBQSA-N 473.643 2.862 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(=O)N(C)C)C1 1595690016 ZCFURIWZFGEYCQ-INIZCTEOSA-N 478.391 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 1595804827 GUKSBQOTQARQOY-RBUKOAKNSA-N 497.662 2.814 30 10 JFEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccccn1)S(C)(=O)=O 1615619307 GQNKWVLBPMIPKJ-UHFFFAOYSA-N 453.572 2.520 30 10 JFEE CS(=O)(=O)Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(C#N)CC2)cc1 1620160421 FCMISJIBUVHRKL-UHFFFAOYSA-N 450.568 2.597 30 10 JFEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1621831247 FAMACWBJIIGEPZ-OAHLLOKOSA-N 457.321 2.658 30 10 JFEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C(=O)OCC 1622145603 TWGFGYRUQSBXDG-ZDUSSCGKSA-N 452.298 2.551 30 10 JFEE C#C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)C1CCOCC1 1629862447 YGVDDURPZGZJJM-JOCHJYFZSA-N 459.543 2.532 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)C1 1638074338 CYNISLPIRQLFKN-IEBWSBKVSA-N 455.555 2.793 30 10 JFEE CCCCn1c(N)c(N(C(=O)CN[C@H](C)c2cccc(C#N)c2)C2CCCC2)c(O)nc1=O 1644464800 AATXRRXAYMSRDQ-MRXNPFEDSA-N 452.559 2.829 30 10 JFEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CC1(C(=O)OC)CCC1 1662171545 UUJBPGURFWEIGX-INIZCTEOSA-N 456.358 2.881 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N(CCc2ccccn2)Cc2cccnc2)C1 1681433052 BPKFXWRYNLEWNC-PZJWPPBQSA-N 450.543 2.990 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1689874869 CYPFLYNMFWFTSN-UHFFFAOYSA-N 470.961 2.744 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1689936976 KSGHZSMCKXPHRB-UHFFFAOYSA-N 482.532 2.578 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)OCCc2sccc21 1689951403 WMZWDEUTGZHYMW-HSZRJFAPSA-N 485.635 2.814 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984699 SSWFZTVBCXDWKD-OAQYLSRUSA-N 467.595 2.650 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1689986272 MEOITLJQGPQKCH-NRFANRHFSA-N 451.596 2.770 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1689994394 XKRQGENRDHPWHE-HXUWFJFHSA-N 455.971 2.592 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)Cc1ccccc1 1690030550 XWMDGSKFVYQJJU-FGZHOGPDSA-N 468.623 2.885 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C(=O)OC(C)(C)C 1690037064 KUQZZACEFIMIPP-UHFFFAOYSA-N 485.610 2.678 30 10 JFEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)N1CCOCC1 1690055466 WMNAXINHUYEVGV-HXUWFJFHSA-N 453.612 2.763 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(CCOC)CC2)CC1 1690134767 FFMKXDNKGYPINT-FQEVSTJZSA-N 472.634 2.922 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1690165852 LIFXDTXWVFZOLF-HXUWFJFHSA-N 471.627 2.630 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690226696 JCPNEZKIYZFCKC-GFCCVEGCSA-N 491.312 2.987 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690253499 RHDOMIQNMCMOJF-ATIYNZHBSA-N 496.656 2.611 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690406480 HSQQPAWLAQRVOJ-DEOSSOPVSA-N 490.626 2.695 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1)C1CC1 1690544917 FUSRZOCITVBQCZ-GOSISDBHSA-N 467.542 2.558 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@H](O)C1 1690574310 VSOXWAWMGMLKFG-YESZJQIVSA-N 453.634 2.694 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690719272 JSNKWMQFORSGGB-UHFFFAOYSA-N 488.658 2.692 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690729177 IFRPLDFRDQCSDE-GOSISDBHSA-N 498.074 2.930 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1690730153 YJXUKXOQYKQJFA-UHFFFAOYSA-N 490.561 2.672 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1690742269 LHXXXWUJDOQIEX-UHFFFAOYSA-N 495.653 2.947 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1N(C)CCCC1(C)C 1692763061 FSQIYOBTKJJMOF-FXAWDEMLSA-N 473.647 2.517 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2CCOCC2)cc(OC)c1OC 1697255520 BMYWTBBMIBEVQI-SFHVURJKSA-N 457.531 2.516 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705559454 AVWHGOILKLTKDQ-XODKDNOYSA-N 490.601 2.857 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705564120 LOAJJQBQNLMVQH-HSZRJFAPSA-N 480.638 2.710 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705631070 QWNBWLPZSAMZPF-HKBOAZHASA-N 491.633 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCCC2(C)C)CC1 1705648944 DXUKZFIFMIKMGZ-AREMUKBSSA-N 465.598 2.861 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1705684295 LKMQEFMQDNWNGL-ZIAGYGMSSA-N 455.378 2.871 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705732984 LJKNZHCXUGQIHP-UHFFFAOYSA-N 474.569 2.843 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1705785198 ZJDUSIHPODYLSY-UHFFFAOYSA-N 456.566 2.563 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705810946 MISHPGMFTQNEJM-IBGZPJMESA-N 474.631 2.879 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 1705864905 ONALLEKURGMLMT-UHFFFAOYSA-N 468.577 2.991 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1705868466 OSRMAPMUNAXSLA-UHFFFAOYSA-N 465.645 2.868 30 10 JFEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705892266 RHJCNCPFHWDUDX-NFBKMPQASA-N 452.603 2.649 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nncn2C)C1 1705917404 UKKCAJAWWCBDNS-CQSZACIVSA-N 462.327 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1CCOC1 1705931505 RNKHPPCQDZPQQE-CQSZACIVSA-N 485.404 2.542 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1706076802 CWOJNCFWIGWUSG-TZIWHRDSSA-N 493.637 2.766 30 10 JFEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)N1CCOCC1 1706255352 DBYOIPQAKCWYIE-VQTJNVASSA-N 478.519 2.941 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1708524363 HCIIMZRVFLTWTM-RTBURBONSA-N 483.592 2.624 30 10 JFEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(COC)n2)CC1 1710360287 BQFNIHDVERZMSU-UHFFFAOYSA-N 467.555 2.746 30 10 JFEE CN(C)C(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)CCCC1 1710971362 BZGGSUHLCBIVPI-UHFFFAOYSA-N 488.596 2.846 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(C(C)(C)C)s1 1722433302 ZQXNJFVTELAFTJ-UHFFFAOYSA-N 462.583 2.849 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2CCC(OC)CC2)CC1 1722435720 SLLINVZLNOCMKK-UHFFFAOYSA-N 466.630 2.598 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](SC)C(C)(C)C)CC1 1722436505 AFNSXZVYMUPEPK-OAQYLSRUSA-N 482.702 2.985 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1722440235 GHVMJMZNXYWUEH-QHCPKHFHSA-N 450.631 2.775 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCn2cc(Br)cn2)CC1 1722445274 OBQZOWTUEZGQOD-UHFFFAOYSA-N 482.386 2.570 30 10 JFEE 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451.552 2.769 30 10 JFEE CC(C)COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874279782 FWTYYVBKSWVTNO-ACAPYZNFSA-N 489.598 2.977 30 10 JFEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCc2ccc([N+](=O)[O-])cc2)c1O 1874432745 VLIDCGPWOBJVAM-LSHDLFTRSA-N 456.484 2.711 30 10 JFEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3C[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4C3)n[nH]2)c1C 1890075351 FJUIZDFMTCKLKD-OALUTQOASA-N 458.522 2.728 30 10 JFEE N#Cc1nccnc1OCC1CCN(C(=O)c2nc3ncccc3cc2Br)CC1 1891364257 QGBTTWYEHXFMBQ-UHFFFAOYSA-N 453.300 2.985 30 10 JFEE CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC#CCN(C)Cc3ccccc3)cc2)CC1 1891510591 BGENEYILDAPWHA-UHFFFAOYSA-N 453.608 2.972 30 10 JFEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124524428 RRRCFKJCWRVSEU-QFIPXVFZSA-N 452.332 2.993 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CCC2)C1 2180980870 NHMYMHYFOXMLAR-MRXNPFEDSA-N 458.368 2.752 30 10 JFEE CC1(C)OB(c2cnc(N3CC[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)c(F)c2)OC1(C)C 2185509177 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CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2267007235 VNMNARIVJWOYCL-HNNXBMFYSA-N 468.787 2.597 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)s2)OC1(C)C 2267289422 PEXAGCOCWFWODP-XQQFMLRXSA-N 458.311 2.719 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCO1 2267291345 OUDVAUDKOJRSAN-GJZGRUSLSA-N 466.409 2.802 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2267537637 JFOPJQGLOIXCBC-VNQPRFMTSA-N 463.409 2.960 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267548316 FOEIQOGEHGFPJY-HOCLYGCPSA-N 463.409 2.914 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1CN(C(=O)OC(C)(C)C)C1 2267705383 HQAJLIOLKMHEHY-UHFFFAOYSA-N 486.465 2.891 30 10 JFEE Cc1cc(S(=O)(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267707525 SGNUZNKMVYLXNP-CABCVRRESA-N 484.449 2.738 30 10 JFEE 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CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)nn2)CC1 2283988457 VWYOUQWOCQGCOH-UHFFFAOYSA-N 461.372 2.768 30 10 JFEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283990705 IOONBQORNFUVIH-KXBFYZLASA-N 460.380 2.703 30 10 JFEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(O)c2)cc1OC 2325888846 SKXUBOSMUQGBGZ-UHFFFAOYSA-N 485.566 2.644 30 10 JFEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(OC)c(O)c1 2326766340 HMADJWWCNDBJOJ-UHFFFAOYSA-N 472.523 2.748 30 10 JFEE COC(=O)c1ccc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SCC(N)=O)cc1 2328787187 CCFWOEPOLIQXBK-UHFFFAOYSA-N 453.524 2.720 30 10 JFEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1O 2330795170 OLRICEJEQTYKSX-UHFFFAOYSA-N 482.566 2.858 30 10 JFEE CCOc1c(Br)cc(C=Nn2c(SCC(N)=O)nnc2C(F)(F)F)cc1OC 2331129351 MCKVILBLPYXBTQ-UHFFFAOYSA-N 482.282 2.926 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2335496817 PVNDBAAEKHBNNY-CYBMUJFWSA-N 487.368 2.575 30 10 JFEE 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C=CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)s1 1083863514 ADMZADCYGDXKNP-UHFFFAOYSA-N 464.606 2.889 30 10 JFEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3ccc4c(C#N)c[nH]c4c3)cc2)CC1 1136575775 JTMRZWYLJXZBNO-UHFFFAOYSA-N 459.550 2.555 30 10 JFEE COc1ccc(-c2nc(CN3CCN(C(=O)NCC4(C#N)CCOCC4)CC3)cs2)cc1 1256339019 AOYDYGJOJQLPJP-UHFFFAOYSA-N 455.584 2.966 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1286273961 HGMIDGNFBXUWEY-ISJBWFOZSA-N 467.614 2.657 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1 1286295669 KGZQAJYGMGMMKV-CTNGQTDRSA-N 496.612 2.703 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(CC)CCOCC2)c1 1286309327 QUDVWGCCXHTICB-UHFFFAOYSA-N 478.597 2.777 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1286381430 GKZZWHZMKUWNBJ-SFHVURJKSA-N 487.532 2.925 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286385807 PJMXWGNVUMSSJD-LJQANCHMSA-N 470.574 2.710 30 10 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C 1286564745 XAPZWTVLFIFBTH-FSSWDIPSSA-N 466.630 2.905 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC)c1ccccc1 1286618285 YJUFFNBVSFZPTL-IBGZPJMESA-N 465.645 2.514 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1286699871 IEXNEWGMRASHIB-QFIPXVFZSA-N 485.654 2.988 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1286768799 IESSFAKMINQUCM-CEXWTWQISA-N 465.595 2.650 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286788574 ZCCZUFQBYGOBGO-HKUYNNGSSA-N 476.622 2.556 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286792573 CDLTVCGNGQSYRA-HXUWFJFHSA-N 497.669 2.763 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1286802689 ANQVZBXNXHDJQI-FQEVSTJZSA-N 480.569 2.892 30 10 JFEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286830588 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C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539977801 SUQMNJSCJDWOJO-UHFFFAOYSA-N 489.580 2.792 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1540020717 WKOVQHIBEPRWAT-UHFFFAOYSA-N 469.586 2.729 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1540136010 FLLQZULFPHSZSL-ICSRJNTNSA-N 461.607 2.996 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)cc1 1540877633 AWEDMJXSJHNGJX-APWZRJJASA-N 478.519 2.915 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](CCC)OC)C1 1540889989 XTWZADFUPSGNOK-ZWKOTPCHSA-N 452.559 2.788 30 10 JFEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1540916851 IEZINYSGGVAHLC-SFHVURJKSA-N 459.620 2.607 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N=c2sccn2Cc2ccccc2F)s1 1542865199 MHRQKBKOLKAWOB-UHFFFAOYSA-N 451.570 2.933 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1545533252 GFKDZUFFEGYRJJ-QZTJIDSGSA-N 474.606 2.954 30 10 JFEE 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472.590 2.837 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1705561343 PFWSRBQVPUOUFK-LJQANCHMSA-N 466.954 2.540 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1705569446 CYGNBLLLHKFEPX-CYBMUJFWSA-N 461.535 2.627 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1705585714 JCQPGPFXMBZQBD-IBGZPJMESA-N 454.596 2.662 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1705636328 GECXMZGSENINMZ-IBGZPJMESA-N 474.009 2.910 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)CC1 1705697122 KHILBCCOCQDXFU-XLIONFOSSA-N 493.450 2.796 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705703221 RZCHJVMDFCFODZ-NQIIRXRSSA-N 453.653 2.708 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705704649 XSHPVXHFIWTACE-JTHBVZDNSA-N 452.603 2.573 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC(C)C)CC1 1705706607 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722491117 HVZXENAWKKHVQO-BDTNDASRSA-N 485.633 2.717 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCOC1 1722492680 GTUIVWPJJGQJHB-VCOUNFBDSA-N 489.642 2.649 30 10 JFEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722519903 VTKHPRQFVXYJLZ-UHFFFAOYSA-N 453.547 2.564 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722524229 VQSDBAQCNALFIK-OALUTQOASA-N 476.622 2.904 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722696305 IKFKSCSHFKRYSR-SFHVURJKSA-N 468.602 2.633 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)c(F)c1 1722728122 UEEZXEQDYLCVQU-LJQANCHMSA-N 452.552 2.905 30 10 JFEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1730292963 BSTZFFOIHCYPEX-AUSIDOKSSA-N 457.600 2.975 30 10 JFEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCCC1 1730642745 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PAJYTTQFIRWTPO-HXUWFJFHSA-N 465.598 2.734 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740710371 YKAUYSWFBYRSSQ-SJORKVTESA-N 466.604 2.937 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1SC 1740732057 QGXBFPFFOTXFNN-XMSQKQJNSA-N 493.630 2.512 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 1740752056 RZAPEPOKDBOFSC-NXHRZFHOSA-N 480.660 2.710 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CC(N)=O)C1 1740753587 LQCUFMLBRGFNCC-MMOPVJDHSA-N 454.531 2.926 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1740768171 UINDPLBAIYRBBT-XTJBDQBJSA-N 475.634 2.606 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1740769073 RKOJBIICLKNSNZ-XZOQPEGZSA-N 465.664 2.541 30 10 JFEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1740777828 MPPMYJBMTNISRX-UHFFFAOYSA-N 457.966 2.994 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1740793222 PPYLYOXVJJWCMC-LJQANCHMSA-N 459.978 2.963 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740821576 GRIRFEBABUABIB-SJLPKXTDSA-N 495.024 2.834 30 10 JFEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740878024 GAESAEIMIUUQQE-UHFFFAOYSA-N 455.588 2.954 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740956440 RWJFRUXOMLPWNM-OAQYLSRUSA-N 467.492 2.786 30 10 JFEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCOC2)C[C@@H](C)O1 1743342255 ASGZSHHXOCRKRW-KCZVDYSFSA-N 468.602 2.701 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1748698315 SXPHAKMVWVONNW-UHFFFAOYSA-N 458.448 2.964 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1748702680 ARJCYBDWOZJJPE-FQEVSTJZSA-N 478.640 2.556 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748766047 DEXJMVFPPUJXBD-OAQYLSRUSA-N 496.999 2.906 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1748818681 DLEVSBURGVQKIJ-ICSRJNTNSA-N 474.652 2.647 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1748858597 FEYLMDJQLLNVMI-GOSISDBHSA-N 458.609 2.619 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCN1CCSCC1 1748953322 JKSJDJNMURAQKK-UHFFFAOYSA-N 470.462 2.904 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOCC2CC2)CC1 1749006525 QPIVOEPLQSOJIU-UHFFFAOYSA-N 456.978 2.776 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1749054774 YPLLSBRDAIEVKH-PMAPCBKXSA-N 474.606 2.546 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCOC1 1749056597 MKAIXXXSQVGZQU-RTWAWAEBSA-N 461.360 2.860 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749092084 NVFZVPROGGNSBC-NRFANRHFSA-N 489.374 2.677 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749124352 MWIYTYYMXCFLRS-TZIWHRDSSA-N 459.616 2.787 30 10 JFEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749409097 REBKEPIWELMWTO-ZWKOTPCHSA-N 462.595 2.658 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1749434314 NSWVAPQXGWUNSQ-UHFFFAOYSA-N 483.642 2.925 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC[S@@](=O)CC)C1 1749704774 BMFMQQQFLHYXKQ-JTYJAPAGSA-N 484.626 2.786 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(C(F)(F)F)n2)C1 1749707216 BNLALYDHNIHDCO-LSDHHAIUSA-N 466.464 2.503 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)CCOC)C1 1749711840 CWVLSZOAIUUPPL-NLFFAJNJSA-N 493.649 2.961 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC=CO2)C1 1750490364 FVZXALYTLSWYTF-IPMKNSEASA-N 458.563 2.814 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccs2)CC1 1750998129 HVZPECFZOBJLEJ-UHFFFAOYSA-N 463.611 2.768 30 10 JFEE C#CCN(c1nnc(CC)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1760186340 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2.952 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1286427756 DUPHMHUDLDYVBM-NRFANRHFSA-N 459.516 2.827 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)(F)F 1286458356 RHCCTSYFBXVJPM-UHFFFAOYSA-N 460.435 2.721 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CCCS1 1286459477 MQFAEFSGCPEYLJ-QFIPXVFZSA-N 476.672 2.918 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCS(=O)(=O)C1 1286460666 PECFWFBPVNRJKB-DLBZAZTESA-N 462.641 2.652 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](CC)Oc2ccccc2F)CC1 1286472422 HPDUKAFBYDZFMF-CPJSRVTESA-N 471.577 2.682 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286496058 LYOVVRDYCWUVCZ-ZWKOTPCHSA-N 455.540 2.628 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286499085 OBAZRTWTDWFBNL-DOTOQJQBSA-N 460.401 2.789 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286499820 PDXBVVINHCMBTA-SFHVURJKSA-N 469.578 2.560 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286604254 HKFSJVQOGAWAOF-PXDATVDWSA-N 496.656 2.925 30 10 JFEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@@H](O)C1 1286764806 AHVDHRUGSFYDRJ-RTBURBONSA-N 476.647 2.737 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1286770103 RBVGWIZVDDXEDC-UHFFFAOYSA-N 473.335 2.862 30 10 JFEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1Br 1286786532 GGGCEUJCVJMECQ-UHFFFAOYSA-N 487.358 2.707 30 10 JFEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1286790716 OIZKQRAQHKOOGI-QGZVFWFLSA-N 471.631 2.667 30 10 JFEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cc(C)nn2C)c2ccccc2c1=O 1294763839 HEWLVZYAGYJXDU-QGZVFWFLSA-N 459.558 2.894 30 10 JFEE C=CC1(CC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CN(C(=O)OC(C)(C)C)C1 1295233639 ATRBUPCVRMZNEP-UHFFFAOYSA-N 457.618 2.573 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCSC1 1298186694 GVRBBDDDMIYFCA-PKOBYXMFSA-N 496.559 2.934 30 10 JFEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300423370 NEYLJSUYJRKSGM-JOCHJYFZSA-N 464.614 2.576 30 10 JFEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccc(Br)n1 1300456001 SKOMBQZRNLQWRQ-UHFFFAOYSA-N 450.300 2.869 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)OC)c1 1300555339 XNBCRQLJLHSSNL-UHFFFAOYSA-N 457.494 2.615 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)C)CC1 1300722360 JGKIRIGBIKWZAY-UHFFFAOYSA-N 475.597 2.687 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1300729099 NCPRKOCZASCWGL-OALUTQOASA-N 483.686 2.720 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300751750 QKLKQCFGVSQOLL-UHFFFAOYSA-N 484.626 2.713 30 10 JFEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)CNC(=O)OC(C)(C)C 1301290120 XVHNPSWECXJMBV-UHFFFAOYSA-N 454.478 2.788 30 10 JFEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1301459164 TUGSBDWYLYHLTM-NVXWUHKLSA-N 454.499 2.546 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301507824 AGSGIUAYMMSEFR-DOTOQJQBSA-N 489.646 2.676 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1303641818 DVJCTRYSPXUODI-NTKDMRAZSA-N 481.626 2.675 30 10 JFEE C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1310461848 BCDTTXCMVRCXRZ-SFHVURJKSA-N 451.527 2.960 30 10 JFEE CCN(CCCn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C)S(C)(=O)=O 1313804246 CFJQTUWXEKAMHE-UHFFFAOYSA-N 491.637 2.585 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1N(C)CCCC1(C)C 1316099488 DLPWZVARGQAPMR-OAQYLSRUSA-N 488.658 2.835 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 1358890665 SVFDLLBBJBMUEU-LJQANCHMSA-N 493.637 2.556 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)NC2CCCCC2)c1 1358902261 JAEYTLLEKIMNQJ-FQEVSTJZSA-N 478.597 2.677 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2c(CC)nn(C)c2OC)c1 1358904101 URVYWDRFVLXBID-OAQYLSRUSA-N 477.569 2.539 30 10 JFEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1358914164 KCVHEZSQQTYGAI-UHFFFAOYSA-N 466.605 2.946 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358957043 OULOLSGWIBQNCJ-NZQKXSOJSA-N 456.612 2.536 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCNC(=O)c1cccc(O)c1 1358971186 LFUFOSYXVXFCOO-UHFFFAOYSA-N 495.381 2.645 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCC(C)CC2)nc1 1358982350 SXRKBDAOUKBNAQ-UHFFFAOYSA-N 456.598 2.892 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C(F)(F)F)cs1 1358984135 KEZIDISPJPBIRK-UHFFFAOYSA-N 459.457 2.912 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1359010193 JOTJKSTXVQBLMU-NRFANRHFSA-N 496.612 2.796 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359026430 XOJGFAGKXKWZTC-HXUWFJFHSA-N 454.575 2.749 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359086129 LIWCLZGIOAAGGD-AWEZNQCLSA-N 466.365 2.812 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1359137385 NXFJTKDGQYBOJX-XMMPIXPASA-N 457.575 2.555 30 10 JFEE C=C(Cl)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1359157613 PBVAOZBKULYVBJ-UHFFFAOYSA-N 450.008 2.972 30 10 JFEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 1359306982 XEFPWKLXVNHMMK-UHFFFAOYSA-N 452.603 2.724 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C)C1 1359332297 ULTQSHOVEBGOMC-ZWKOTPCHSA-N 499.703 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)S[C@H](C)C1 1359335287 HHVJCMOOOABBPJ-IYBDPMFKSA-N 454.593 2.927 30 10 JFEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359341129 MONTXWMVECHYCH-UHFFFAOYSA-N 469.659 2.702 30 10 JFEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359345280 ALBWDGCQEWGGNZ-UHFFFAOYSA-N 491.017 2.950 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)CCO1 1360369997 BNGJXXITKCMDEB-FQEVSTJZSA-N 480.594 2.938 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1)C(F)(F)F 1360632083 HWANLNMDMYNIBT-YWZLYKJASA-N 466.533 2.758 30 10 JFEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(F)c(C#N)c(F)c1 1445219455 CXGQDXWJAXJXEK-UHFFFAOYSA-N 451.451 2.508 30 10 JFEE C[C@H]1Cc2cc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)ccc2N1S(C)(=O)=O 1459632236 HKYSMZHXCZWXPK-HNNXBMFYSA-N 458.971 2.885 30 10 JFEE Cc1cc(NC(=O)NC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)ncc1C#N 1476944036 HWFFEMKIVIQVBK-OAHLLOKOSA-N 456.469 2.867 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)OC 1494987261 CDWSPHQBVWNLCJ-FBBABVLZSA-N 474.631 2.643 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1507512728 ITFZCKDHPYHZRZ-SJLPKXTDSA-N 457.962 2.863 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(C(N)=O)nc1 1507522250 BWICBXILHGYZCP-ZDUSSCGKSA-N 469.343 2.716 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nnc(C)s1 1507538179 KSVYOMZMPHSTHA-WBVHZDCISA-N 475.619 2.837 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C 1507544070 YNRQCRJIDJYGJL-RJGXRXQPSA-N 450.631 2.773 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ncccc2C)c1 1507551919 IULCPBQDWWQBSS-UHFFFAOYSA-N 468.565 2.948 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1507627669 SYZFPGDKLTWZOI-QAPCUYQASA-N 486.579 2.740 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1507645546 FOEYCNPHKRDVGA-QHCPKHFHSA-N 454.534 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1507668752 CFVKNACJVGWCTM-DHIUTWEWSA-N 498.672 2.702 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(OC)C2CC2)CC1 1507733442 YXUFAQSGMPFJJU-NBGIEHNGSA-N 472.634 2.920 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1507742252 DRGVAYVUNPUXNC-UHFFFAOYSA-N 462.642 2.542 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1scnc1C 1507749665 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C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2Cl)C1 1705924998 IYSOYDQBHHXLBK-FUHWJXTLSA-N 468.982 2.997 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@H]21 1705936639 VOGRXLZCYRJVGW-QRVBRYPASA-N 495.646 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705937057 HCJUJVWIIOEOIG-IFMALSPDSA-N 474.627 2.678 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1706462103 BJPGYZKSQYXUTR-OAQYLSRUSA-N 453.591 2.828 30 10 JFEE CC(C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1706635198 HYDLOOXHTMQVGS-OAQYLSRUSA-N 451.575 2.633 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCCN1CC 1708522191 BONWLYHPBVZPEJ-UYAOXDASSA-N 453.639 2.906 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1722284344 MKHFRHBUXSJDRA-SJORKVTESA-N 455.563 2.886 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364503 HSGFFMXHAFVGOF-OAQYLSRUSA-N 478.062 2.879 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1722367937 YFXJAQAVJDVDMB-UYAOXDASSA-N 483.569 2.822 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1cccs1 1722410226 XAIBLDHVORWRFI-OAQYLSRUSA-N 458.613 2.667 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1722434041 KSNWSADPEGJSPM-DEOSSOPVSA-N 498.697 2.614 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1722438690 YESNUQFGDANCKO-CCLHPLFOSA-N 491.640 2.788 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnn(CC)c2)CC1 1722450794 QYLMWPDIXFPDJG-UHFFFAOYSA-N 481.988 2.741 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1722492769 UQGLENIEIORPMR-KNBMTAEXSA-N 474.993 2.543 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1722501047 NYDJTIMHMRSKBC-CSEOROSGSA-N 475.634 2.519 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722522216 FIHKZXFWKFLZIO-MSOLQXFVSA-N 459.595 2.525 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOc2ccccc2)CC1 1722543247 GVKGVSUZOLMPSF-UHFFFAOYSA-N 467.961 2.879 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN2CCOC2=O)CC1 1722582201 MLTMGSFPQCPLNI-LJQANCHMSA-N 490.605 2.831 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1722604057 SYBYAJCWIUJSLE-NJDAHSKKSA-N 477.606 2.909 30 10 JFEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1722686861 ZLDKXBKBPSYROR-UHFFFAOYSA-N 469.500 2.915 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCCCC2)C1 1722694719 FPHNBRXWJHFQLV-UHFFFAOYSA-N 455.559 2.804 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1722695925 VEMWXPWIGKKIMC-UHFFFAOYSA-N 457.991 2.992 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1722708506 WLUMSEAUWKNWHM-VWLOTQADSA-N 463.586 2.715 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC(F)F)c2)C1 1722712873 AUNXALSXSBERCC-HZPDHXFCSA-N 463.485 2.669 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722726011 WXJQWQNHLXKMLT-CRAIPNDOSA-N 458.415 2.905 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1722749695 IXNYATDUPMSMOO-OAQYLSRUSA-N 455.584 2.670 30 10 JFEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1729777640 FBEGLWKIXUCOCA-YLJYHZDGSA-N 453.543 2.791 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)ccc1OC(C)C 1729971905 AHQSFUORLLIKSE-YADHBBJMSA-N 498.628 2.826 30 10 JFEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)CCO1 1730592890 GPVBBJUBLYNQEN-LJQANCHMSA-N 454.918 2.796 30 10 JFEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)CCC1 1730648296 AMMKHBCRSALHEL-IBGZPJMESA-N 453.543 2.935 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCOC2)c1 1740565020 GULNFHDXKFHBCF-IBGZPJMESA-N 492.605 2.752 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 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1740780923 UVZWVZPXVCAVGD-SFHVURJKSA-N 461.588 2.543 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740788717 VVBIPFDUGOAPFQ-KRWDZBQOSA-N 469.405 2.924 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740792931 NIEAQJDESWDBOE-SFHVURJKSA-N 462.595 2.658 30 10 JFEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1740793366 SBRGSOTYGIRMMO-VGOFRKELSA-N 464.542 2.621 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1740946832 IOSRVIWWRBFIDA-NRFANRHFSA-N 454.623 2.575 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NCCCC)CC1 1740947247 VWZDHYKZMZMHHC-UHFFFAOYSA-N 452.607 2.771 30 10 JFEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740949445 HFBJMVGHTYPTBO-SESVDKBCSA-N 487.649 2.525 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC[C@](C)(C(=O)NC)C3)nnc2[C@]2(OCC)CCOC2)cc1 1740968102 BEKVUQVGAJQALY-DQEYMECFSA-N 469.586 2.506 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1740983179 CXBSFEMTDQDEMJ-UXHICEINSA-N 488.633 2.829 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)CC1 1740986327 WUGGVWLETIVLRY-UHFFFAOYSA-N 466.007 2.699 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1740988793 PQCUTTRQDZQSRH-UHFFFAOYSA-N 483.997 2.643 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1741220323 BQZCGWUZPNKZFA-IBGZPJMESA-N 481.557 2.762 30 10 JFEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1742273967 APKSGHQYDJHXKP-OAQYLSRUSA-N 486.642 2.886 30 10 JFEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1743478828 AXRRQVMTZUZZBY-NIYFSFCBSA-N 480.613 2.689 30 10 JFEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cn1 1745813604 IDUWHVHUOHFNJN-NRFANRHFSA-N 495.609 2.567 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(CC)CC)N1CCOCC1 1748656096 LPOCBYIYLALVLS-AUSIDOKSSA-N 477.617 2.516 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCN2CCOC[C@H]2C)c1 1748694762 NJHIQKDASYTFRQ-LJQANCHMSA-N 478.622 2.707 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748810435 WENZICCNSXPEBP-SFHVURJKSA-N 478.018 2.706 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN(CC(C)C)C1 1748847670 VXCAXIITAFSILI-HSZRJFAPSA-N 474.657 2.893 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1749054865 ZSZVZRAOEPUTPC-WAIKUNEKSA-N 473.599 2.587 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(CC)s1 1749130637 NILJNGKWVPKIJG-GJYPPUQNSA-N 465.645 2.817 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H](C(N)=O)C1 1749139093 BFTDSHMROMWURR-YYDVJCTNSA-N 469.586 2.939 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1749159792 YQTSJXKMSUMTNE-PKTZIBPZSA-N 487.670 2.965 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1749285839 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JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2284056810 ONMAPGGVZFRXPX-MRXNPFEDSA-N 480.436 2.889 30 10 JFEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)c2C1 2294697503 RVHUAONKXCWJBV-UHFFFAOYSA-N 475.380 2.711 30 10 JFEE COc1cc(C=C2Oc3c(ccc(O)c3CN3CCC(C(N)=O)CC3)C2=O)cc(OC)c1OC 2324107374 QCUGGUFTMMDKTK-UHFFFAOYSA-N 468.506 2.732 30 10 JFEE NC(=O)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(O)c(O)c1 2325943181 CVUCIDKBPJZTEQ-UHFFFAOYSA-N 462.329 2.502 30 10 JFEE COC(=O)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1O 2326199849 HOWKGKVESXYHNV-UHFFFAOYSA-N 456.524 2.933 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@@H]1C2 2334272636 CGNOIALVQHDOJG-SOHPYSCWSA-N 464.393 2.602 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H](C)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)[nH]1 2362167258 IJAUNUSVTPNVMB-VOIUYBSRSA-N 461.412 2.531 30 10 JFEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2368526515 VEXDVUZMGPSSAX-UHFFFAOYSA-N 483.802 2.982 30 10 JFEE CC1(C)OB(c2cc(F)c(C(=O)N[C@@H](CCO)COCc3ccccc3)cc2F)OC1(C)C 2369506522 CEALJEULWYDOSN-KRWDZBQOSA-N 461.314 2.962 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2C1=O 14849841 SXRRMSIJNGXIAW-HZPDHXFCSA-N 483.546 2.519 30 10 JFEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3c[nH]c4ccccc34)n2N)c1 20527812 RZTRXRWJHOBABK-BHGWPJFGSA-N 463.527 2.608 30 10 JFEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N/N=C/c3cnn(C(C)C)c3)n1)CC2 20910517 RWKDWDGSWLLBMG-NUGSKGIGSA-N 484.586 2.722 30 10 JFEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cc(Cl)ccc3O)n2N)cc1OC 21320068 VKRPIQNKUFXQLH-LSFURLLWSA-N 462.919 2.789 30 10 JFEE C=CCn1c(=O)c(=O)n(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 33272434 HNJSPWCYEAYVDC-UHFFFAOYSA-N 452.942 2.742 30 10 JFEE O=C(C[C@@H]1S/C(=N/N=C2\CCSC(=S)N2)NC1=O)Nc1ccc(Br)cc1 39886295 DFAUWCIEHKFZNL-JTQLQIEISA-N 472.415 2.690 30 10 JFEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c1 102521012 DIUAHRDQOVUZBO-VFJWVMJUSA-N 454.498 2.978 30 10 JFEE CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 102910647 UCOCHGHHXGFOFN-LCPUNJGISA-N 467.503 2.547 30 10 JFEE Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cnn1-c1ccccc1 103095528 ZEPSFJNUZMCILZ-QQYUXEJHSA-N 472.545 2.935 30 10 JFEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)cc1 253572952 QUVIDPRQRKXJOD-UFFVCSGVSA-N 470.471 2.784 30 10 JFEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1Cc1ccccc1 520624674 VBXXPIXKMKJUKE-UHFFFAOYSA-N 473.598 2.701 30 10 JFEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1Cc1ccccc1 523253948 GKKRAKORMTXBLW-QGZVFWFLSA-N 460.555 2.848 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)c4ccc5c(c4)NC(=O)[C@H](C)O5)CC3)cc2C1=O 589506298 HGNJRNXRODEXKW-HNNXBMFYSA-N 487.512 2.923 30 10 JFEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccc(C#N)cc3F)cc2)C1 609233581 NCHJRDWDFCDZIP-HOTGVXAUSA-N 465.572 2.842 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 612644542 XKMGUJSAKPEPRA-UHFFFAOYSA-N 485.928 2.561 30 10 JFEE CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402851 HXNUMJBGZPRDAE-COPMAWBXSA-N 474.608 2.800 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](OC)(C(=O)O)C1 757423450 CJNOUYPNUKMFIH-BKMJKUGQSA-N 462.502 2.619 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 824713284 FCTAVFMRYMMMKW-GOSISDBHSA-N 485.562 2.972 30 10 JFEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 1083932385 GDEHJQWFYVZGLA-UHFFFAOYSA-N 483.558 2.923 30 10 JFEE COc1ccc(OC(=O)CSc2n[nH]c(NN=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 1084201946 GFLGDQUPWSASEL-UHFFFAOYSA-N 473.511 2.983 30 10 JFEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc([N+](=O)[O-])cc2)n1 1084240351 LCLBBKJWUBIFKJ-UHFFFAOYSA-N 455.456 2.676 30 10 JFEE Cc1ccc([C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H](C)S(C)(=O)=O)cc1 1193897105 ANHVEIBZQUGSRA-JTSKRJEESA-N 451.552 2.755 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286387325 QBSLRBITPSCCIW-KRWDZBQOSA-N 491.495 2.914 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1286392663 MNUJHBUBPBYQBO-UWJYYQICSA-N 470.620 2.659 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286396970 ZFUMVQFVMVSXLN-XDHUDOTRSA-N 492.592 2.715 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCCS(C)(=O)=O 1286425415 YYIHNQLRXZXKPZ-UHFFFAOYSA-N 467.364 2.744 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286462957 CJEQZAFWMHEXRW-UHFFFAOYSA-N 495.031 2.665 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)CN(C)C2=O)n1 1286471127 JCUSANSYLJVTJU-DEOSSOPVSA-N 499.978 2.699 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](CC)Oc2ccccc2F)CC1 1286472423 HPDUKAFBYDZFMF-NBGIEHNGSA-N 471.577 2.682 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1286483889 CIICBMYEDODFGU-JOCHJYFZSA-N 466.630 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccccc2)N(C)C)CC1 1286489633 AGESGGVWGJGWHW-QHCPKHFHSA-N 459.598 2.552 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(CCNC(C)=O)Cc1ccsc1 1286561246 MLRGVJFTZVBQIC-FPOVZHCZSA-N 467.599 2.921 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1286601538 MCAJZBUHHZWLIV-UHFFFAOYSA-N 489.580 2.789 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286602202 VBWDXBHEROCRQQ-UHFFFAOYSA-N 481.601 2.747 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286611114 HGOKRXPBSFJVST-UHFFFAOYSA-N 468.631 2.960 30 10 JFEE C=C(Cl)Cn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1[C@]1(OCC)CCOC1 1286635276 OEKZVNWOUAGGNI-NRFANRHFSA-N 462.938 2.918 30 10 JFEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1286678417 WLOVTTLYWFFZME-HSZRJFAPSA-N 493.656 2.521 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1ncccc1N(C)C 1286742223 HPGOBGSFHSYAHJ-UHFFFAOYSA-N 458.570 2.990 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286793493 GOWKUSVSNPYOGW-FHWLQOOXSA-N 474.606 2.800 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(-c3ccccc3)c2C)C1 1286800506 MAAKVIGJBALGLV-WIYYLYMNSA-N 499.641 2.520 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)NC)CC1 1286816558 GLWVPCZDOCDRED-LJQANCHMSA-N 489.642 2.598 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)C[C@@H](C)O1 1291223185 BIXUOLABCPTTEE-BGYRXZFFSA-N 451.619 2.704 30 10 JFEE CCN(C)C(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cccc(C#N)c1 1295057365 AYBPGPKEHJKQKL-UHFFFAOYSA-N 494.625 2.533 30 10 JFEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)CCO1 1299154489 GGBAJEFXORHRQY-AZUAARDMSA-N 452.559 2.506 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(N2CCOCC2)CCSC1 1300325242 WINJOZYYFXHJEV-NLFFAJNJSA-N 485.654 2.922 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1300381971 YBRNQKICANEKTA-GAJHUEQPSA-N 457.962 2.659 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C1CCCCC1 1300438196 GZHVTQJUEJGKNK-HSZRJFAPSA-N 458.632 2.947 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300481840 BXJYPVSJJANUFR-NFBKMPQASA-N 494.665 2.954 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1CCN(CC)CC1 1300574825 LTCFDPABYAVBPJ-UHFFFAOYSA-N 481.670 2.823 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300635367 KPMHXOQIGXCGLK-FQEVSTJZSA-N 492.649 2.998 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCCCC1 1300671245 GAIPDVCLDCCUNP-NFBKMPQASA-N 453.587 2.999 30 10 JFEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1301164594 BFSLXGBJTVQSQC-BJKOFHAPSA-N 460.582 2.965 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1301188794 NNRMONFZSNJTMW-DENIHFKCSA-N 489.642 2.970 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1301270156 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JFEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cc(Cl)c2c(c1)OCCO2 1588078165 CBJIERXONBITIN-UHFFFAOYSA-N 455.946 2.742 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CC)N1CCCC1 1588186406 XOTDOFREDLIJGO-NRFANRHFSA-N 481.670 2.884 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(OC)CCOC1 1588250559 GPOMNPIRQSLVPY-QFIPXVFZSA-N 473.371 2.888 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1588263088 PLIAPHLRMUVRLX-YSIASYRMSA-N 488.633 2.680 30 10 JFEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588858049 XFFIAQZJYDETQJ-UHFFFAOYSA-N 469.655 2.566 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1589005918 ATJPWJZXEJDKAY-MRXNPFEDSA-N 498.834 2.679 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1589483773 QRBAIMHNGPFKQD-KNKQGSTJSA-N 481.601 2.792 30 10 JFEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCCOC)CC1 1593635993 DKJSZCXDMZRIBF-NRFANRHFSA-N 455.559 2.736 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593932747 OTZLGJHTTYQRLT-VWKPWSFCSA-N 486.038 2.816 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(OC)OC)c2)CC1 1594191990 BPKMSVGSIJYPJX-INIZCTEOSA-N 463.604 2.630 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2F)CC1 1594241534 UCZPJJPBCXCUSJ-LAUBAEHRSA-N 493.605 2.620 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1594455672 VEPVVGAGFGVGQH-OAHLLOKOSA-N 462.576 2.962 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1594545180 RFAVZNATWHTOCH-FGZHOGPDSA-N 485.654 2.987 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1594668879 LXIGCMJXAQXXKS-UHFFFAOYSA-N 454.575 2.845 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1595475789 FSVFRINJIJSEIJ-WMZOPIPTSA-N 488.564 2.963 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1595777993 UIXUNEUPZXFEGO-XLIONFOSSA-N 476.599 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595823244 MLDXHMSKLJMPNP-UHFFFAOYSA-N 489.642 2.721 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1595849608 CXQREWPCAMOWHK-PMACEKPBSA-N 491.683 2.977 30 10 JFEE C=CCSCCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1595905694 OINZVVLABNDEAM-PGRDOPGGSA-N 452.621 2.624 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1596903240 IDBKJZIMCGEUJH-AQBTUVFDSA-N 495.671 2.534 30 10 JFEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 1597922922 BGDIYRCAHVNDOZ-UHFFFAOYSA-N 479.629 2.622 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O 1610910928 PELYTHYPANIFBH-HNNXBMFYSA-N 459.952 2.907 30 10 JFEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1614388596 CEWKGTQZCJJQQE-KNQAVFIVSA-N 480.613 2.879 30 10 JFEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1619317127 BDOAHCYMYDBWAH-GHTZIAJQSA-N 498.481 2.571 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1619951684 IBFDTYPEZFDTOB-ZJSXRUAMSA-N 468.602 2.558 30 10 JFEE C[C@H]1CC(=NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)NO1 1633316366 FVHPDEJGGQVUOZ-JTQLQIEISA-N 453.870 2.998 30 10 JFEE C#CCN1CCN(C(=O)CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CC1 1642349754 DUAQPMFXKZPGOC-SANMLTNESA-N 451.014 2.824 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(N(C)C)CCSC1 1649538827 IFJVFDQSBNHFLY-IFXJQAMLSA-N 451.438 2.941 30 10 JFEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@@H]3C[C@H](O)c3cccs3)C2=O)cc1 1686081941 FSONYRAOEVTXSG-UFYCRDLUSA-N 454.552 2.649 30 10 JFEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1686340986 AWGZAXBSMXUVNY-IBGZPJMESA-N 455.559 2.748 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1689847927 LHSRZSFXEQVIOF-WOJBJXKFSA-N 477.613 2.662 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1689864444 AKKFVKMZMXXNHS-GOSISDBHSA-N 480.569 2.578 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCO[C@@H]2CCOC2)c1 1689872253 SSARDWZYEQHGSC-YADHBBJMSA-N 467.570 2.772 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1689901089 AYWNJEDOPSIGJT-UHFFFAOYSA-N 481.597 2.835 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689981917 DLJIHLHVKCLVHC-NRFANRHFSA-N 455.584 2.649 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689983416 BELCCJMDVCSPHB-SFHVURJKSA-N 470.624 2.596 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689993823 MDZPICFEJNLJLT-PKTZIBPZSA-N 469.655 2.940 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1690075098 CBIJMGYXKFIGAP-NHCUHLMSSA-N 474.650 2.820 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccnc2OCC(F)F)CC1 1690114697 DMKKKXVQCBALEJ-UHFFFAOYSA-N 483.479 2.696 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690178794 GQTSERLWHIRDSP-UHFFFAOYSA-N 466.636 2.963 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690218403 FJISXVWFGGSKEW-UHFFFAOYSA-N 476.379 2.529 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690313181 MSQAQNNKGNYGIR-OALUTQOASA-N 497.662 2.609 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690342305 IIZMWRBJEVCXCK-HOTGVXAUSA-N 450.996 2.553 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1690424682 WYILDKNGUAXIOG-UHFFFAOYSA-N 457.575 2.860 30 10 JFEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1690520995 LWXPZDGHKCFCBK-SFHVURJKSA-N 453.465 2.602 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1690578291 TYDKPHDBSGRUMO-GOSISDBHSA-N 471.608 2.582 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1705587330 QNQIDXRYLTVNGU-NRFANRHFSA-N 470.618 2.535 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1 1705629040 VYXBVJKIKBIAOZ-GOSISDBHSA-N 483.560 2.903 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1705633476 ROCCUBXTWPCYRU-NQIIRXRSSA-N 475.540 2.996 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OCC(F)F)CC1 1705647357 CQKMOLAPGCPCNP-UHFFFAOYSA-N 474.556 2.920 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705698146 QBVLSFDLWMGVQK-LESCRADOSA-N 498.447 2.651 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCNC(=O)C(C)C 1705699605 JBTKBOQBLMAJMF-FGZHOGPDSA-N 496.660 2.642 30 10 JFEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705821964 NUHLEBDJIRSIRZ-SANMLTNESA-N 465.646 2.571 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)C(C)C 1705867687 SXRFZWSIOFTJDA-BHIFYINESA-N 486.661 2.702 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705893141 LYZHWLICFFNBAH-UHFFFAOYSA-N 451.618 2.625 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1705895128 VCLBGOCFHMGMPI-SFHVURJKSA-N 493.395 2.701 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705932916 OAEJNRQBFUTWFI-IBGZPJMESA-N 470.599 2.901 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)C1 1705935675 ABOYSOQPFNPIAH-GOSISDBHSA-N 497.662 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H]1CC 1705936083 JPDSRWMEGRPJCU-QUCCMNQESA-N 473.647 2.678 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(F)c1 1705937237 NILMIEWGJXGVRH-UHFFFAOYSA-N 468.558 2.893 30 10 JFEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705943254 SNANPVRSDDELPS-UHFFFAOYSA-N 451.600 2.997 30 10 JFEE CCN(CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C1CC1 1710158481 ATTOQBKGRUYAJN-SFHVURJKSA-N 451.623 2.728 30 10 JFEE 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30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722460188 DCSDYYVZZCCPQF-UHFFFAOYSA-N 463.611 2.751 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](OCCOC)C1 1722483543 BGPYYDXWQRPKEL-HNNXBMFYSA-N 451.321 2.824 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1722483676 QMZVDXPYBRTXFS-GOSISDBHSA-N 454.413 2.629 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722548011 RPGORRFFOJZYKZ-HRAATJIYSA-N 458.994 2.695 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722609687 YZGUGDIDBPMEDB-SJORKVTESA-N 450.584 2.709 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1722676475 BBKUKEQTGJSEPG-LJQANCHMSA-N 461.632 2.883 30 10 JFEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1722685322 DRAIUXLVNPXMAE-JKSUJKDBSA-N 489.589 2.837 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722699916 PKEATYXFZNJONM-GOSISDBHSA-N 460.966 2.539 30 10 JFEE 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2.947 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1286392562 IMASNSIXQNKCRD-OALUTQOASA-N 454.662 2.578 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286393388 KRFHRFUMJVZQJH-RTWAWAEBSA-N 460.575 2.594 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1286394020 NLDFSEXEDWZEEW-FQEVSTJZSA-N 489.523 2.958 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286398576 ZBTGATJAYLFBFV-GOTSBHOMSA-N 499.681 2.975 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1286480667 OVYXYBSMBNUJBU-RBUKOAKNSA-N 494.587 2.572 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1286491756 AIBPJJQZCYHXSH-PGUFJCEWSA-N 499.681 2.987 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1286515926 SKWABCRKJZXMBG-DNQXCXABSA-N 472.611 2.569 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCN(CC)CC1 1286573121 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C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNC(C)=O)C1 1286813762 BGIKSDGIQTYUBR-MOPGFXCFSA-N 462.595 2.658 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1Cc2ccc(Br)cc2C1 1286820118 FLWFDJGPXOLEMG-OAHLLOKOSA-N 467.389 2.666 30 10 JFEE C=C(C)C[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C(=O)OCC 1288354577 NNXAROIYYSQKCP-INIZCTEOSA-N 450.333 2.534 30 10 JFEE C[C@](O)(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F 1288885475 DZOZZHGFWLGOGZ-IERDGZPVSA-N 497.543 2.781 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCOc1ncccc1F 1291194686 BWNXPSNWBFQKMD-QGZVFWFLSA-N 479.564 2.857 30 10 JFEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1291305551 FTGTWGSUYHCRQI-GOSISDBHSA-N 452.559 2.602 30 10 JFEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1-n1ccnc1 1295779722 BIHCCWUKKKKWQP-LJQANCHMSA-N 451.552 2.642 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2CCN(C(C)=O)CC2)c1 1300333090 VHNCUCBSBWNPCG-UHFFFAOYSA-N 473.581 2.598 30 10 JFEE 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CN(C)CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)cc1 518083836 ADNFSSLQDWSVGM-UHFFFAOYSA-N 459.506 2.941 30 10 JFEE C#CCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 729331970 SCYRQAHXAZZXTJ-OAHLLOKOSA-N 463.909 2.619 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@H](C)OC 757546948 HFRJUHLHSPXKHL-RXYZOABWSA-N 450.491 2.521 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=C(C)c3ccc(N)cc3)n2)cc1OC 1084562628 RFBZSOKDPGHRPW-UHFFFAOYSA-N 469.571 2.691 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(CNC(=O)C(F)(F)F)c2)cc1 1140661326 ZZBFVNYUXDQMLP-UHFFFAOYSA-N 455.458 2.890 30 10 JFEE C#CCN(C(=O)Nc1ccc(OCC(=O)NC)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1217014146 TZVIKGMIDZFYSP-UHFFFAOYSA-N 458.559 2.986 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1 1286295711 KGZQAJYGMGMMKV-TZIWHRDSSA-N 496.612 2.703 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286308001 CRFFJBUCTNDTBF-ZWJSTQBLSA-N 473.618 2.963 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286390208 YOKMFEAYLJTDAG-RDPSFJRHSA-N 471.627 2.607 30 10 JFEE C#CCN(c1nnc(CC)n1C[C@@H](F)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1286393424 KWNYXAPWTZNQRM-DLBZAZTESA-N 469.380 2.941 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[C@@H](OC)C(CC)CC)CC1 1286478735 FNMIQCXRBZVOBO-HSZRJFAPSA-N 491.640 2.789 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCOC[C@@H]2CCCO2)CC1 1286489245 LBHKUPGEBMQHHO-QFIPXVFZSA-N 465.598 2.805 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286489659 BHNHFNQMTWRFNK-KBMIEXCESA-N 451.619 2.750 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1286494202 SQYRLFHLHHAXCL-QFIPXVFZSA-N 465.598 2.761 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)CC1 1286667936 ODAGTUMBSHBINV-UHFFFAOYSA-N 461.632 2.719 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1286821680 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C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690308743 YLOWWXUVEJSUGZ-UHFFFAOYSA-N 451.575 2.997 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690312022 ZEOKUVPHJWIFAM-XZOQPEGZSA-N 455.603 2.620 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690442042 LMFDIZWWBBMTNM-FCHUYYIVSA-N 460.667 2.963 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690451467 HNHAXLVIIFVUIT-KRWDZBQOSA-N 475.594 2.582 30 10 JFEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690475305 MQXMLOXFWHQSCK-ZIFCJYIRSA-N 491.614 2.939 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1690565837 UZACKVJTTCNHQR-NRFANRHFSA-N 494.600 2.956 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690674732 COAGVJKZKNNDHS-UHFFFAOYSA-N 494.640 2.603 30 10 JFEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1(C)C 1693727057 GWWNMAOARNNZMI-LJQANCHMSA-N 466.586 2.850 30 10 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C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722536691 QCUQUKDQOAVPHZ-UXHICEINSA-N 455.559 2.947 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1722558972 FXJZHHDRBIBCOM-UHFFFAOYSA-N 453.591 2.971 30 10 JFEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722590502 DWISCZSLUAEVSE-SFHVURJKSA-N 485.633 2.645 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1722657388 ZYYMJGORHZZUSM-ZJSXRUAMSA-N 463.630 2.872 30 10 JFEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccccc1F 1722671112 JHTLGYQHIRQTRW-UHFFFAOYSA-N 452.490 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)C1CCCC1 1722726840 GFKHUNGJCLFJMY-UHFFFAOYSA-N 456.572 2.964 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729609603 GTLPTLHVHHXONA-INIZCTEOSA-N 494.003 2.747 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1729727690 AGBNDHZDWJZZPE-HXUWFJFHSA-N 464.599 2.643 30 10 JFEE 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C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740655652 AHMOBYUKQUQNTJ-XMMPIXPASA-N 474.634 2.712 30 10 JFEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1CC1CCN(C(=O)OC)CC1 1740688399 PWOPYTASMRWRIN-UHFFFAOYSA-N 455.559 2.730 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(OC)CCOC2)CC1 1740697525 HUQTYZAWGQKFEE-NRFANRHFSA-N 494.821 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1740706005 OSGAOYCZWIPRDQ-HXUWFJFHSA-N 456.541 2.702 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cnc(C)s2)CC1 1740707430 BNGZWOHAQBXFQQ-UHFFFAOYSA-N 468.558 2.775 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1740708452 QAEDSMAWRTUYIU-RUZDIDTESA-N 481.597 2.943 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2COCC)CC1 1740708656 XJDPCXBFTXZLSQ-UHFFFAOYSA-N 489.624 2.690 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1740722822 KRQJTVJPQNROCI-SFHVURJKSA-N 492.646 2.995 30 10 JFEE 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496.641 2.582 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1359089519 KLSSUWQKBYHXDY-HZPDHXFCSA-N 496.410 2.841 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359094672 DJHCDZZUSMXDES-UGKGYDQZSA-N 489.642 2.843 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359134147 LQZCIMUBNLLIGB-OAQYLSRUSA-N 477.606 2.605 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1359172661 DFURVHVPYSLAMW-HSZRJFAPSA-N 466.630 2.824 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1359207843 ZHAQCLASXFTXJC-UHFFFAOYSA-N 474.569 2.652 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(=O)NCC 1359255446 YJDCBTSDEWEWCO-UHFFFAOYSA-N 463.586 2.741 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1359256597 KGSGTJPXXOVPNZ-OAQYLSRUSA-N 462.579 2.763 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1359259795 IIUGNORLUGKRQZ-LJQANCHMSA-N 456.566 2.567 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1359274826 BHJACMVISDMVST-FQEVSTJZSA-N 473.643 2.578 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359292015 GOIYWNMNBQRPPL-QFBILLFUSA-N 496.033 2.777 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC2(CCCC2)C1 1359336650 XQLMLALOTGUOEX-OALUTQOASA-N 452.621 2.764 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)C1 1360784420 FGTNBICQAYWQIB-JXFKEZNVSA-N 453.513 2.634 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccccc3)ccc2c1=O 1457707516 RCXLHNZEZCBNQO-GHTZIAJQSA-N 451.548 2.836 30 10 JFEE C=CCN(C(=O)Nc1cc(F)c(F)cc1I)[C@@H]1CCS(=O)(=O)C1 1465757720 MCTWZZJPCIGEBO-SECBINFHSA-N 456.252 2.776 30 10 JFEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1503256707 BMHKDFHTKVHPBD-UHFFFAOYSA-N 467.599 2.673 30 10 JFEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1503810328 FMGRHOXZDCBKJY-UHFFFAOYSA-N 463.586 2.572 30 10 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Cl)cn2)CC1 1300719401 ZEWMRCVIYVYFQU-UHFFFAOYSA-N 473.368 2.509 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1300731719 HJELHXFQFYDNAB-UHFFFAOYSA-N 476.647 2.622 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1300732817 PUFNRMRQOBKEHR-HXUWFJFHSA-N 470.643 2.671 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 1300761399 CIZGQFUGOCUZDL-LJQANCHMSA-N 489.646 2.713 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cc(C)on2)CC1 1300873985 KYNGSWQYYMPARQ-SIKLNZKXSA-N 485.633 2.796 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCC[C@H]2CO)CC1 1301107566 FXZXGNDCINAAPR-FQEVSTJZSA-N 453.591 2.565 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301159770 FWPRTZWRCAKSEF-UHFFFAOYSA-N 466.586 2.671 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1301349087 KDJPRGJEANIBIE-LVXARBLLSA-N 499.612 2.931 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1C 1301496562 CWVVOTKKISDRBQ-UHFFFAOYSA-N 461.526 2.515 30 10 JFEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(F)(F)F)cc2)CCO1 1303001573 DNDXRGMRFKEETH-MRXNPFEDSA-N 457.416 2.721 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1303498685 MCHVEYSSNUZBED-SJLPKXTDSA-N 451.589 2.774 30 10 JFEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1)N(C)C 1305204520 ALHICMNBDMSMFQ-UXHICEINSA-N 451.619 2.989 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1306503627 GXDAYQXMGKSVKX-FQEVSTJZSA-N 495.628 2.919 30 10 JFEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCN(C(C)=O)CC2)c2ccccc2c1=O 1313958295 ADIZSIKINXVWQD-KRWDZBQOSA-N 476.585 2.529 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358884866 YKKJPAWATIYVLM-XLIONFOSSA-N 473.503 2.852 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1358956020 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CGNZFAJBWQKNMS-ZDUSSCGKSA-N 451.408 2.763 30 10 JFEE N#CCC1(O)CN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)C1 1467235569 GYPVNYHSENCPCO-UHFFFAOYSA-N 454.335 2.824 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1503103626 GOKLFSVZXIWHPQ-FQEVSTJZSA-N 486.020 2.925 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1507525247 ZDERLYDSNHRDIV-KOSHJBKYSA-N 471.627 2.628 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1c(C)noc1C 1507539032 QLGXRYKOWDGKSH-KXBFYZLASA-N 458.563 2.892 30 10 JFEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507555427 QHOXNTSVQYCKAC-SFHVURJKSA-N 453.543 2.585 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507623593 UOGGPGSTFNLFFD-MSOLQXFVSA-N 481.663 2.705 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1507630236 VJXUUGWDZPZVSN-FQEVSTJZSA-N 478.603 2.609 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCCC[C@@H]2CC)CC1 1507718966 XMNUDBWCYVYIEH-QFIPXVFZSA-N 496.656 2.991 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H]2COCCO2)CC1 1507721474 KLYIRORJGKVSMF-FPOVZHCZSA-N 474.005 2.859 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(N3CCCC3=O)c2)CC1 1507735753 GJLMVTGLPLGYMN-LJQANCHMSA-N 462.598 2.933 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507815488 BCHRGSFDZXFVTJ-UHFFFAOYSA-N 456.591 2.529 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1507824220 WMYFOMIYXNHTSB-UHFFFAOYSA-N 473.021 2.986 30 10 JFEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507830347 JSENWBUMKGOCGO-UHFFFAOYSA-N 474.612 2.806 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1507916091 JUXNJEIVHKTCTI-LAUBAEHRSA-N 469.677 2.547 30 10 JFEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1507923793 CTZYZPKNPPQTJT-JOCHJYFZSA-N 489.624 2.817 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)C(C)C 1508014616 WAGPFDDHKGDQEY-XRXFAXGQSA-N 459.591 2.985 30 10 JFEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508049481 XHHMLRFZHJNRDL-FGSXEWAUSA-N 456.566 2.732 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1508049490 BVRVMAFGRRLLEY-GOSISDBHSA-N 470.375 2.570 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(Br)cc1 1508096885 KWIUHESIALYFIW-LPHOPBHVSA-N 478.391 2.703 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1508136376 FJMDHUHHFJJLNZ-UHFFFAOYSA-N 486.642 2.560 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1508143910 LGJKHNUFFRJVNK-AEFFLSMTSA-N 467.636 2.571 30 10 JFEE CC(=O)N1CCC(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1508197893 GMDQZJQVPTYVDE-FXAWDEMLSA-N 489.621 2.583 30 10 JFEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1511216391 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C[C@H](C(=O)c1ccc2c(c1)NC(=O)CO2)[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CCCC2 586347782 KXVJYIBRAFCULB-GGQVQLDRSA-N 471.560 2.788 30 10 JFEE Cc1c(Cl)cccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729668344 HAQTYZJHZZVINB-UHFFFAOYSA-N 489.988 2.634 30 10 JFEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 918987746 HRNNFYFOBNQWSI-INIZCTEOSA-N 469.991 2.873 30 10 JFEE Nn1c(NN=Cc2cc(Br)ccc2O)nnc1SCC(=O)Nc1ccc(F)cc1 1084000489 YKNGPZPEJRNLFO-UHFFFAOYSA-N 480.323 2.776 30 10 JFEE C#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 1273513729 JHRBGKNDTGFEGP-UHFFFAOYSA-N 454.548 2.546 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1286339786 ZEDGSLBBUCDQHG-RZUBCFFCSA-N 472.659 2.791 30 10 JFEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1286382542 JJPQNNYMOPIPAQ-RBUKOAKNSA-N 467.595 2.853 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286382942 BKAHWCRKCLCZER-HGHGUNKESA-N 484.544 2.868 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286385387 XEKUFVOZLNPIFK-NZSAHSFTSA-N 494.564 2.846 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1286390986 BECWHMUBOMPOLI-XUZZJYLKSA-N 484.647 2.773 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N2CCCC2)CCOCC1 1286470568 ZYGPOQKOLGDPMD-FGZHOGPDSA-N 473.662 2.928 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1286479928 JCIHQXZEDYETRO-PKTZIBPZSA-N 452.603 2.586 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1286486289 KSHOCFCZJGFQRM-UHFFFAOYSA-N 482.576 2.701 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 1286489428 SEGLPMSQALYOIU-KNQAVFIVSA-N 481.597 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2csc([C@@H](C)OC)n2)CC1 1286490835 UDJFJAARAQUBBY-QGZVFWFLSA-N 479.610 2.827 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCn2ccnc2C)CC1 1286492776 PMARIQROVHFZHL-UHFFFAOYSA-N 479.560 2.557 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286530117 GJMVESCHVYKYHJ-UHFFFAOYSA-N 471.400 2.630 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286549170 DSOYWZSJHRECDM-GHTZIAJQSA-N 460.600 2.948 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCn1cccn1 1286555204 WZLLRUJQFZCVHS-IFMALSPDSA-N 499.641 2.510 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1286688835 UFVNOULATBEPGQ-SXLOBPIMSA-N 495.671 2.995 30 10 JFEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286695259 SOBFOBPSVZVDPP-UHFFFAOYSA-N 489.418 2.847 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286706588 QNDRZFQRXWSDNK-PZJWPPBQSA-N 466.586 2.797 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1286741100 CJAIHHZKCSVUGJ-LJQANCHMSA-N 470.599 2.507 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286779022 CTPZWKUXVATXFK-MRXNPFEDSA-N 488.518 2.710 30 10 JFEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CC1 1290342218 DDFOXIIGBXHJKI-WEZXKFLESA-N 457.527 2.504 30 10 JFEE Cc1noc(C)c1[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1290904281 AHUYCLGONIZBIZ-MRXNPFEDSA-N 463.542 2.520 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@]3(CC)CCC(=O)NC3=O)cc2)c1 1292049242 LFWBKEGQZGENFG-DEOSSOPVSA-N 452.532 2.820 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1297677036 CVNPGPSGPYSGJK-KRWDZBQOSA-N 484.548 2.572 30 10 JFEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1300371476 TUTQCPJIKANALE-HSZRJFAPSA-N 470.687 2.965 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1OCCC1(C)C 1300528166 RHQYCJCMBNJDRS-NRFANRHFSA-N 458.566 2.953 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1nc(C)cc1C 1300559194 LKBNTJLOCLIPEL-UHFFFAOYSA-N 492.653 2.913 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cccs1 1300578937 KPTGULNYLTVULT-RUZDIDTESA-N 472.574 2.624 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[C@@H](O)C2)CC1 1300726848 SDBIFUPSLRSTMP-PKOBYXMFSA-N 471.552 2.664 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300834072 HSYHORXABSFLSI-UHFFFAOYSA-N 493.369 2.546 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1300848303 CVJDEMJJMVATSG-OAHLLOKOSA-N 485.404 2.742 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1301341666 VCGAHZMGRWGDGU-FQEVSTJZSA-N 484.564 2.904 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301531123 CRCQTCSEYNYYRZ-HXUWFJFHSA-N 489.642 2.645 30 10 JFEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1301611189 IVMVXHSDAWSDCD-UHFFFAOYSA-N 455.636 2.859 30 10 JFEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)Cc1ccccc1 1302680530 FUHSLKIYARPBPJ-UHFFFAOYSA-N 458.570 2.653 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)c1 1304270753 FDSXNLWLPCQQDM-LJQANCHMSA-N 468.558 2.860 30 10 JFEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)C1 1312901204 DEUHELOLIKFAIF-GXTWGEPZSA-N 475.796 2.811 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1358922936 XEAIJJRSFZGNOL-WMZHIEFXSA-N 479.585 2.646 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358958639 SMJCWSGJTMNKPO-VWNXMTODSA-N 494.665 2.811 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1358963771 NRTNIJKTMHYMJM-YADHBBJMSA-N 456.612 2.604 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCN(C2CC2)C1 1358978666 RMJKCCSLWUSQKN-HXUWFJFHSA-N 466.630 2.950 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCOc2ccccc21 1359018992 HROGJEGQGZINIC-CJFMBICVSA-N 454.571 2.971 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCc2ccco2)CC1 1359030297 SCFJACYSOZQFRJ-GOSISDBHSA-N 482.972 2.736 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCCCCC2=O)CC1 1359031479 DDHIHYULLPIAIH-UHFFFAOYSA-N 450.587 2.502 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccc(OC)c(OC)c1 1359063999 IQHBAMWSYXRTPA-UZUQRXQVSA-N 475.615 2.530 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)COC)CC1 1359086346 TZZRSPSVFIBGGW-UHFFFAOYSA-N 454.394 2.570 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359121102 WITRGEDMBAIAIB-INIZCTEOSA-N 465.558 2.872 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1359272429 RUUFGWZEGQNBGA-NRFANRHFSA-N 469.611 2.529 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1359278316 QBKVIRNKJSQWDW-OAQYLSRUSA-N 467.492 2.603 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359296044 VHGJFVPSHHYMSU-KRWDZBQOSA-N 472.977 2.501 30 10 JFEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](OCCC)CC1 1359298992 RABGOVVXOAUZRM-KRWDZBQOSA-N 465.558 2.682 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncccc2N(C)C)C1 1359314901 JXFXVKOSFDOKAC-LJQANCHMSA-N 482.610 2.639 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359327190 UZWUWJUVUUMLJJ-HXUWFJFHSA-N 470.643 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359333314 UFAMOAAJLLLPFA-QGZVFWFLSA-N 455.625 2.523 30 10 JFEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359340199 FJBOEGOGEGOSGX-UHFFFAOYSA-N 471.675 2.963 30 10 JFEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 1359342238 SEYUQDSKMGRSQV-VQTJNVASSA-N 492.690 2.833 30 10 JFEE C#CCN(C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)[C@H]1CCOc2ccc(Br)cc21 1360311089 OYVLVTWDDWPOKP-ICSRJNTNSA-N 457.328 2.970 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 1445326728 RBISRCRMNZHYQT-IBGZPJMESA-N 453.564 2.907 30 10 JFEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1494235133 FFDBTGKXSDRRKU-YOEHRIQHSA-N 450.465 2.745 30 10 JFEE CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1500078174 FTSWMMNYYOZYSR-WIYYLYMNSA-N 461.574 2.630 30 10 JFEE CCCN1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1501053572 FHCPLVPBCDKXME-ACRUOGEOSA-N 487.649 2.996 30 10 JFEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1503519831 GRJZZOLIYNYSGH-SFHVURJKSA-N 461.448 2.704 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)Nc1c(C)cccc1C 1507530022 VHGADZPFMXBTIG-GOSISDBHSA-N 479.610 2.952 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507638401 QIQWFFMOTZRQKF-VJANTYMQSA-N 477.631 2.633 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1507737659 BKQRFMNYVKWRMT-UHFFFAOYSA-N 458.607 2.768 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC(F)F)c1 1507765557 SXGQCHGODBDOMO-IVZQSRNASA-N 497.568 2.733 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507779520 CJFBALRPWYURHU-CYBMUJFWSA-N 489.827 2.668 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507852695 CBNGTVZBNMCXPS-KRWDZBQOSA-N 464.973 2.956 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1507882899 YBISSCOKKPBHJG-IAGOWNOFSA-N 470.640 2.690 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1507930700 HDFLHFYVBMQOOQ-UHFFFAOYSA-N 463.586 2.901 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508050208 RUVXSOKVRUYCJC-UHFFFAOYSA-N 454.394 2.659 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C#N)CC1 1508074324 RXUXQTUVXXALRJ-UHFFFAOYSA-N 459.348 2.758 30 10 JFEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508167214 JJCFXRWZUKNTSU-OAQYLSRUSA-N 488.633 2.658 30 10 JFEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)CCC1 1513615327 BFSNLAOGGSCYNV-HXUWFJFHSA-N 472.615 2.699 30 10 JFEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539067268 CARCYEWJZHFPLC-IBGZPJMESA-N 475.597 2.689 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1539202071 FXGCWIVYVBPHNN-SJLPKXTDSA-N 497.463 2.858 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1539238444 XKOZEJQRJKWBKR-HHHXNRCGSA-N 483.657 2.815 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nc2cccc(Cl)c2n1C 1539299015 CWIQYHMSJQLUSP-DEOSSOPVSA-N 466.973 2.982 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)OCCO2 1539400566 HMPSAICDEWDBIR-UHFFFAOYSA-N 472.343 2.941 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(OC)C2CC2)CC1 1539441526 SBOPSSBLFSMHIM-RUZDIDTESA-N 453.587 2.923 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1539613079 UIFZDPBGCKROFK-CBQOVEMMSA-N 469.634 2.980 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539683248 HPJOGAKCPZPSDA-HSZRJFAPSA-N 469.977 2.923 30 10 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C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCCS1(=O)=O 1588251483 PTZOXZZKPPKQHX-JOCHJYFZSA-N 454.596 2.904 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1588251899 ZRRGRECXCJGYPI-WOJBJXKFSA-N 482.654 2.620 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CCC(=O)NC 1588594608 JGKQEDSYRAAEAS-UHFFFAOYSA-N 454.756 2.583 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(C)ccc2OC(F)F)CC1 1588849114 ZKTDJEAWHOBOCX-UHFFFAOYSA-N 452.509 2.977 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1589228992 WXLDWUWIQTWTBU-YLJYHZDGSA-N 468.549 2.889 30 10 JFEE C=C(Cl)Cn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1593932430 IEYDHXXSUYRWGE-KNQAVFIVSA-N 454.015 2.620 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1594484242 PFGKPGUXHACKJK-UHFFFAOYSA-N 472.615 2.758 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1594752449 KSQQJMYGARVEKZ-GOSISDBHSA-N 456.595 2.756 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1614356607 CATDTVSZBQPPPR-SFHVURJKSA-N 452.607 2.721 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1F 1616790561 CSBSJDWBKJVLQC-JKSUJKDBSA-N 455.552 2.856 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)n1 1618759099 NCALFXIMUVTIPY-UHFFFAOYSA-N 452.536 2.988 30 10 JFEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 1621896065 GZRHMIYQQGPEMG-ROUUACIJSA-N 451.342 2.834 30 10 JFEE C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1628821106 WKEWWKOJPFOWAK-UHFFFAOYSA-N 459.999 2.772 30 10 JFEE C=CCN(C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)[C@H](C)COC 1645337760 LNIPIYWLXPWXQY-APWZRJJASA-N 458.584 2.772 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1677217647 LFDOBHMVZASYMC-KNQAVFIVSA-N 454.550 2.723 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1689901720 PTLJPTBEDHKHGA-UHFFFAOYSA-N 468.577 2.674 30 10 JFEE 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C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1740918965 XZHWDHPYQSTRGP-JOCHJYFZSA-N 482.610 2.555 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740963810 XSOQTKIUJYOAJM-UHFFFAOYSA-N 479.560 2.637 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740988228 XUCGJTPUAAUSOY-UHFFFAOYSA-N 479.603 2.752 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740992166 MOAUOAZAQUXKLO-UHFFFAOYSA-N 477.606 2.569 30 10 JFEE C[C@H]1CCC[C@](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)(N(C)C)C1 1743016394 GISQBDFCJYWBPU-MBSDFSHPSA-N 458.632 2.808 30 10 JFEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N(C)C1CCCCC1 1747204695 AWDHGYNSIGSJAK-UHFFFAOYSA-N 479.629 2.800 30 10 JFEE CN(C)C(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1747538943 FRXBEBQVQGUNMM-KRWDZBQOSA-N 455.719 2.891 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)c1 1748587891 HWBDJAYQWRMIFK-FOGNVHKLSA-N 496.431 2.992 30 10 JFEE 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C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1589053860 WAMURMHQYVUWDW-MRXNPFEDSA-N 472.615 2.503 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(NC(=O)C(C)C)CC1 1589305323 QIBDGXMWTYIUQJ-OAHLLOKOSA-N 458.401 2.652 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589460538 SAWKULLWRQWMGV-NHCUHLMSSA-N 495.422 2.713 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCS(=O)(=O)N(C)C)CC1 1594071014 VSBFDOZPSAKABA-UHFFFAOYSA-N 472.384 2.895 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](c2ccccc2)C1 1594732284 BNSCFVMLIGECLE-SFTDATJTSA-N 475.615 2.545 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1594914089 WNRBDNSTIMRRKW-UHFFFAOYSA-N 453.551 2.800 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595330519 WVRMQBLXLSZSDZ-RXVVDRJESA-N 498.628 2.536 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595500970 HUQKNKAMFIKRSU-LHSJRXKWSA-N 466.369 2.938 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595523346 USQXCEPALZLFGK-HXUWFJFHSA-N 455.456 2.916 30 10 JFEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@H]1CC 1595664397 CYKPIPPBZPEEDL-GOSISDBHSA-N 480.594 2.598 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)(F)F)C1 1595728921 HLTVWSNRWGCYBI-ZDUSSCGKSA-N 459.419 2.607 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)n1 1612489394 AZUNXZXADKDJLO-GOSISDBHSA-N 450.513 2.764 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCC(=O)N3CCCC3)C[C@H]1C)C2=O 1615243646 NPWKZUQBQXXBOU-JCQPUDPBSA-N 462.930 2.766 30 10 JFEE COc1ccccc1-c1ccnc(N[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=S)Nc2cccc(C#N)c2)n1 1616133396 STWWFXNHXLANPO-YXPKMTABSA-N 488.573 2.957 30 10 JFEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cc1F 1619250284 CNJHYAJAHKYUNI-SFHVURJKSA-N 461.563 2.701 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CC1(S(C)(=O)=O)CCC1 1619899786 IFXNIOVSLBUROO-UHFFFAOYSA-N 468.583 2.765 30 10 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JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1690464771 KHYHJNBVQXZLOH-ROUUACIJSA-N 467.636 2.888 30 10 JFEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(F)c2[C@H]1C 1690497492 RHFLUWKQIXQITE-HZPDHXFCSA-N 451.568 2.744 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1690706291 HUXIENVCTGAFFC-QFIPXVFZSA-N 467.595 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1690729250 JWVHETRNUJBFPE-KRWDZBQOSA-N 468.023 2.642 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1690993282 HVBPVIQVAXSJHM-OLZOCXBDSA-N 487.399 2.628 30 10 JFEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CCN1CCOC 1694919582 AIBDDRGJRJWLES-JOCHJYFZSA-N 453.635 2.952 30 10 JFEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CCN1CCOC 1694923468 GMJTZAXCGIISKM-REWPJTCUSA-N 451.619 2.848 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1695583248 BSLRCVSSUONKMS-NRFANRHFSA-N 486.642 2.869 30 10 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C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1705737559 VFRNMHUUGALBCT-LEWJYISDSA-N 460.600 2.741 30 10 JFEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)CC)CC1)c1ccccc1 1705741015 DHHGZTHHFITHGY-IBGZPJMESA-N 460.648 2.912 30 10 JFEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 1705741916 CWVKDSZHEAHGQG-OAQYLSRUSA-N 490.612 2.956 30 10 JFEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1705753125 QZFVEAQWPOAEFZ-CYBMUJFWSA-N 478.962 2.603 30 10 JFEE C=C(Cl)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705760804 SQJPMMARQDBVFK-JOCHJYFZSA-N 454.015 2.620 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705788719 KRLNAEZPMUCJFQ-XMMPIXPASA-N 486.642 2.514 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1705868385 LOPWXOYCUYXJJG-DOTOQJQBSA-N 471.674 2.617 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705889659 RYBVCASETGNBEK-KDURUIRLSA-N 465.602 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455.458 2.620 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO[C@H]2C(C)C)c1 1286312338 UMSAUYGNCACYPZ-LVXARBLLSA-N 492.624 2.908 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286357260 RVFWMPDXZATQMI-VWLOTQADSA-N 464.570 2.702 30 10 JFEE C#CCCCn1c(N2CC(=O)N[C@H]3CCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359350 CGOPUJAKNJGTOU-ZSYWTGECSA-N 456.591 2.710 30 10 JFEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1286410278 YSNSNQNTCCPNIV-NRFANRHFSA-N 452.509 2.855 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1286419027 LXPGCZYNOAZHSU-TZIWHRDSSA-N 453.974 2.876 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cn1 1286427923 OTXRJQFWGIUVKU-HXUWFJFHSA-N 468.533 2.632 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1286440747 KDQBFYCABRWQOX-GOSISDBHSA-N 465.562 2.684 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1286474237 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C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1Cc2ccccc2[C@@H]1C 1286823142 KSLRIBZZUMVREC-INIZCTEOSA-N 471.608 2.952 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286828584 ODVJVAIEGQQEGQ-SFTDATJTSA-N 483.686 2.886 30 10 JFEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)nc2)CC1 1286869785 ZRMVVYIJKXGDDN-UHFFFAOYSA-N 465.945 2.884 30 10 JFEE CC(C)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1288869388 IEXAIFXJVPRHOK-LJQANCHMSA-N 485.658 2.518 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 1300307553 GFMUUONUWOPBGK-FQEVSTJZSA-N 486.624 2.855 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300488173 BGTSRLJGBFOHDB-PZJWPPBQSA-N 458.584 2.540 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1cccc(N2CCOCC2)n1 1300547640 PEUCUAXDOMAOBY-UHFFFAOYSA-N 488.617 2.932 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC)c1Cl 1300590433 BESWDEPRFKZARJ-UHFFFAOYSA-N 469.973 2.777 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nccc(C(F)F)n1 1300602450 FDQBVHXXBQUQSC-UHFFFAOYSA-N 474.541 2.782 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)cc2)CC1 1300684893 CCIBQLNRXZVZIX-UHFFFAOYSA-N 457.351 2.989 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1300761210 ALBBRWFJBQEPSY-IKGGRYGDSA-N 453.584 2.747 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1300872856 DGROALXQMHMYLU-YSSFQJQWSA-N 475.977 2.540 30 10 JFEE C=C(C)COCCn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301001286 GRPCPNJDORUFIV-VWLOTQADSA-N 475.634 2.893 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1301067333 YVKCNEJZGINZNE-HNNXBMFYSA-N 485.557 2.897 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1301354752 ILLQMHOMLQNHRI-IBGZPJMESA-N 458.563 2.717 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1301367764 RZAFIQOHNDBVPQ-GGAORHGYSA-N 453.635 2.503 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301506652 NMLIHPXMYKKCEZ-UHFFFAOYSA-N 453.522 2.560 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(C)cccc2C1 1301593538 OWUWLRHCVHHLBO-UHFFFAOYSA-N 485.635 2.742 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](C)C2)CCN1S(C)(=O)=O 1304969830 CSVSMSAHOPYCOK-WSTZPKSXSA-N 472.615 2.635 30 10 JFEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1358913859 AFHBADFKNUTFLJ-NRFANRHFSA-N 466.605 2.944 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccc(F)cc1 1358950113 XALUFRWTXDTWHN-NTKDMRAZSA-N 473.549 2.703 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN(C)C(=O)OC(C)(C)C 1358987110 SESBIRYUZFYFIB-XMMPIXPASA-N 459.591 2.650 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359022391 XWFSZJQWNFNELJ-LJQANCHMSA-N 464.545 2.839 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSC(C)C 1359025824 ZVSBFSHIVBWSKI-SFHVURJKSA-N 467.636 2.814 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)n1 1359027815 WYAVERKRKUXESO-OFNKIYASSA-N 473.581 2.972 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)CCC)CC1 1359082908 XFYOAOSCIVOPOD-UHFFFAOYSA-N 479.379 2.800 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)OC)CC1 1359133455 SBBRXJGZDMWXFO-UHFFFAOYSA-N 492.621 2.874 30 10 JFEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNS(=O)(=O)CC)CC1 1359160977 LJYZQXNDJJFFQY-UHFFFAOYSA-N 457.398 2.522 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCOCC2)CC1 1359174950 UYFGYCXTSXHQPA-UHFFFAOYSA-N 450.381 2.990 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359223611 QLNOCTXFLKBOFN-DVECYGJZSA-N 490.626 2.716 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359228836 PRNKUBUURYSBNU-XMMPIXPASA-N 454.550 2.969 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359261199 ZPAZIGSBBUGQSB-NKWDDMGQSA-N 466.517 2.640 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359287826 YCOFWLBUCGRKDE-UHFFFAOYSA-N 454.579 2.553 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1359302842 VOHSLJLGHPFHNH-SFHVURJKSA-N 481.551 2.728 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2nccs2)C1 1359314702 GPSCDHNHCCCVDS-KRWDZBQOSA-N 459.597 2.829 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1359329570 NNDAJNYNZNDYRV-QGZVFWFLSA-N 478.615 2.957 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359336086 FEEYYHALMXKROB-UHFFFAOYSA-N 478.569 2.576 30 10 JFEE C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1360568539 DBOUBAMRVMGVMX-RXVVDRJESA-N 472.615 2.545 30 10 JFEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnnn1C 1360992000 IFHMPAYDDPREHC-MAUKXSAKSA-N 456.938 2.594 30 10 JFEE CC(C)(Cc1cccc(Br)c1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1361056805 CEPVQUAUBUQEDW-UHFFFAOYSA-N 450.358 2.625 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)cc1 1452731941 DPAPLYRNBFTNKT-UHFFFAOYSA-N 451.589 2.918 30 10 JFEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1494621094 FBUKKOMWPYVKPC-GOSISDBHSA-N 456.616 2.517 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)cc1C 1507654029 USCRBBASBUCHOQ-UHFFFAOYSA-N 468.609 2.948 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1507663787 CBIWAICJJSGJGA-LNVKXUELSA-N 478.940 2.596 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCn2ccnc21 1507704363 YVUPRZIBRDEOBY-INIZCTEOSA-N 472.391 2.906 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2sccc2Br)CC1 1507719448 NSLXPFWBZXNLOX-HXUWFJFHSA-N 480.432 2.558 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCOC)CC1 1507782714 PGGOZMAPUKDQLB-UHFFFAOYSA-N 463.380 2.536 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1 1507797071 OFYSJFUDVYTDFG-LPHOPBHVSA-N 479.423 2.785 30 10 JFEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507830057 PIXUGXWOBYRISN-INIZCTEOSA-N 458.588 2.681 30 10 JFEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507833456 UNCXGKWGYPIODP-KNQAVFIVSA-N 468.650 2.533 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1507869852 ZGMNNZFYSKNHMW-ZWKOTPCHSA-N 493.996 2.650 30 10 JFEE C=CCC(C)(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507919153 LVSHEWJVLJFZLN-KDURUIRLSA-N 490.649 2.946 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1517450949 GSJUMVOYGCVJGA-DLBZAZTESA-N 469.590 2.890 30 10 JFEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539070986 IKOLAFVCIXATSE-IBGZPJMESA-N 466.977 2.858 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1539206885 WMJUDOIRKSHRPL-HNNXBMFYSA-N 486.461 2.806 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1539230956 RSUQYUQFDXZYAV-QFIPXVFZSA-N 499.681 2.975 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)C2CCC2)c1 1539233064 ZVMGDXGBOUWBRU-UHFFFAOYSA-N 467.533 2.785 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1539298967 BSIQRZBUVXSTES-QDPGVEIFSA-N 491.636 2.662 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1539298977 BYZDZGBJHJUDJF-AREMUKBSSA-N 463.582 2.580 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539417853 WZXUEARCNIPNHD-GOSISDBHSA-N 453.484 2.978 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1539533960 WKGUIIMHIRHWKM-HXUWFJFHSA-N 455.584 2.955 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@@H]1C 1539578889 DWYZEJAXNKMBCL-KGLIPLIRSA-N 454.394 2.921 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539592579 HHQNGONOLPHCFJ-MRXNPFEDSA-N 460.384 2.712 30 10 JFEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539599767 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10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1740920563 DKDPUMIJGUZLPE-LJQANCHMSA-N 479.647 2.561 30 10 JFEE C[C@@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CCO1 1742947865 GXUSZYLXSIDBEU-QRVBRYPASA-N 475.615 2.803 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1746061456 DYVYUQYJYSSLCX-QFIPXVFZSA-N 492.672 2.682 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCn2ccnc2C1 1748648768 CTEPGTZRZVTFHX-IRXDYDNUSA-N 450.543 2.888 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(S(C)(=O)=O)CC1 1748656643 VBVJWVFZMKTZDH-ZDUSSCGKSA-N 467.389 2.751 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCOC[C@@H]2C)c1 1748690431 RIKGEJCXJXOCMW-AZUAARDMSA-N 480.613 2.925 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1748809417 MUGWKCCSDKVHOB-FQEVSTJZSA-N 473.618 2.833 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748809780 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JFEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(OCC(N)=O)CC1 1286698748 GDEOXPWJFNSBJZ-SFHVURJKSA-N 476.622 2.830 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)n1 1286766647 USBSNZWJMZRJIB-IBGZPJMESA-N 455.584 2.954 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286795305 ASHDAZXZODANHH-JOCHJYFZSA-N 479.585 2.824 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286802163 PHFHWGHQCDCNEB-BKBKCADHSA-N 468.945 2.906 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C2CCCCC2)CC1 1286883720 OPRIRQVKMITCKT-UHFFFAOYSA-N 465.602 2.662 30 10 JFEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C(C)C 1287964001 HWOBMMHQPLVNSY-UHFFFAOYSA-N 487.674 2.796 30 10 JFEE CC(C)N1CCC(O)(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1287978657 DDNUZCMKDNFDPU-JOCHJYFZSA-N 460.529 2.673 30 10 JFEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1290904652 CIEPRXJTWIBNAI-OXJNMPFZSA-N 497.625 2.991 30 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1507718020 KXPSNQRJIGSTSG-UHFFFAOYSA-N 482.629 2.601 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507741566 WXUDYKPKQGTIKC-KRWDZBQOSA-N 457.604 2.771 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](CC)C1 1507752085 RQWVJIVROSTTCP-DLBZAZTESA-N 462.645 2.608 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCN1CCN(C(C)=O)CC1 1507763392 BWBLGIYBMHNUKR-JIPXPUAJSA-N 494.640 2.973 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1507792174 FROGMUCVSRTZDZ-HXUWFJFHSA-N 465.348 2.770 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1507835850 NXXQNDYUHBNAQF-UHFFFAOYSA-N 465.558 2.782 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507844238 FUCGSMJWNWWDMK-KRWDZBQOSA-N 461.592 2.819 30 10 JFEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1)c1ccccc1 1507853337 CIAWQNKIUVOQMN-PZJWPPBQSA-N 458.632 2.666 30 10 JFEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1507862093 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C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1508141797 OOTQWQYACCKMGR-WOJBJXKFSA-N 464.563 2.838 30 10 JFEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1508159242 RRUMJRFVMSMBCT-UHFFFAOYSA-N 492.602 2.643 30 10 JFEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1513564619 ALTBJTRTICGNRJ-HSZRJFAPSA-N 452.559 2.637 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C[C@@H](C)O1 1514176338 ATGQFXFZZKRCDD-BAGYTPMASA-N 468.602 2.579 30 10 JFEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1518650207 BOJDGCLCZKAWTE-GGAORHGYSA-N 480.613 2.953 30 10 JFEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)ccc1C 1531526790 HVCCCOVRPBXPIZ-UHFFFAOYSA-N 452.540 2.789 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)c1 1539042824 JOZWPAVKKRAHBA-SANMLTNESA-N 496.681 2.741 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539086587 JGVHSBKGCLGEGT-DEOSSOPVSA-N 460.623 2.752 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539095483 DRGSPSVNMVCPLE-NRFANRHFSA-N 472.391 2.945 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc2c(n1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1539220952 XNEIWLOXQSIAIB-HXUWFJFHSA-N 455.628 2.816 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1539231512 VXYFRVBAXALKKB-HJNYFJLDSA-N 486.638 2.597 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539392262 NWDZMUFQXTZVGE-QGZVFWFLSA-N 489.598 2.610 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)OC)CC1 1539470443 PSRCDSMLCOETAS-HNNXBMFYSA-N 460.376 2.708 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1539475696 MTFVLRSUGAIZBB-HSZRJFAPSA-N 463.630 2.816 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ncc(Cl)n1C 1539526941 XBLRYXRXDIADBB-UHFFFAOYSA-N 464.020 2.659 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC=C(Br)C1 1539611703 CYOJNYFDCPZQSN-NVXWUHKLSA-N 450.381 2.984 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Br)cc2C1 1539683121 AVVQYRGLJPBIIO-CYBMUJFWSA-N 454.394 2.790 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1539751200 IDZXAJDAMUVMDI-IBGZPJMESA-N 490.626 2.829 30 10 JFEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539816840 GSDZIQSYBZSFTG-UHFFFAOYSA-N 455.950 2.813 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539909685 PAEHRFODBJVRSU-KRWDZBQOSA-N 475.615 2.789 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1540873203 QUMRCJWGWDRXJW-UHFFFAOYSA-N 459.598 2.667 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1540908983 UCZITNWEORSGOD-IAGOWNOFSA-N 466.629 2.797 30 10 JFEE CC(C)N(CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1541615221 DAUKHQABVDJYOA-JOCHJYFZSA-N 466.634 2.884 30 10 JFEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 1542482848 DROSSMKRZXNSPM-HXUWFJFHSA-N 452.559 2.543 30 10 JFEE Cc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC[S@](=O)C(C)(C)C)CC2)n1 1543366732 IFOJEZXMYDEHOZ-XXICBBBGSA-N 496.641 2.939 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)ccc1F 1545292755 STHVIJHXBSGDKF-AWEZNQCLSA-N 451.486 2.636 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(S(C)(=O)=O)ccc2F)n1 1546213301 PJHXOIAQFVMKLE-UHFFFAOYSA-N 453.546 2.595 30 10 JFEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C 1547709878 BOGNDKIHARDRMN-OFNKIYASSA-N 451.619 2.704 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 1583154307 JOLFCCIVJOBCIU-IBGZPJMESA-N 451.589 2.638 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(OC(F)F)c1 1587579376 GAUGLKQLAWEERW-OAHLLOKOSA-N 490.536 2.698 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1587633638 XYBKECVGFPFAPD-ZCNNSNEGSA-N 460.623 2.571 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCN(CC)C2)c1 1587693920 XHRGKSOHGREEDU-UNMCSNQZSA-N 450.587 2.918 30 10 JFEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1587773447 JWCVIKWXBIRKRA-UHFFFAOYSA-N 477.657 2.838 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587927060 RRIHDFYMQVDIMF-LJQANCHMSA-N 460.529 2.559 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1588041579 YBIAWUDRPXHOGF-OAQYLSRUSA-N 499.040 2.929 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(S(C)(=O)=O)CCCC1 1588093293 JAUBBAAOZLOJBS-UHFFFAOYSA-N 462.579 2.765 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(N(C)C)CCOCC1 1588109659 LLXVESXSLQMVQM-UHFFFAOYSA-N 465.598 2.925 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)c(OC)c1 1588387956 WQUGZCZVOICSDT-UHFFFAOYSA-N 461.570 2.977 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nc(C(C)(C)C)cs2)CC1 1588750957 HOWBEPXOFQECPC-XMMPIXPASA-N 472.659 2.682 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1588976421 XNFKYKJAQZBWOR-LJQANCHMSA-N 481.582 2.783 30 10 JFEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(C)C)C(=O)C1 1594797506 BFEMWXBZJIJUCA-UHFFFAOYSA-N 455.559 2.614 30 10 JFEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1594813164 PRAGIZPSHIKNQY-BVSLBCMMSA-N 489.642 2.586 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1595551486 RACVYFBVKGLZTJ-NMLBUPMWSA-N 488.633 2.904 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCSC2(CCOCC2)C1 1595577534 VYEXWSMOJYOTJF-UHFFFAOYSA-N 471.627 2.879 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1595883813 CAZSQAJJFRELPG-APWZRJJASA-N 463.629 2.611 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1619767960 BYEAOGCGDIRNSP-KBMIEXCESA-N 452.603 2.915 30 10 JFEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)C1CCN(C)CC1 1626637274 HMPHHKSVRXHKAF-UHFFFAOYSA-N 455.580 2.690 30 10 JFEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1642388005 DZNFTFMKGMQPCY-GDBMZVCRSA-N 450.630 2.762 30 10 JFEE C#CCN(C(=O)Nc1cnc(OC)c(C(N)=O)c1)[C@H]1CCOc2ccc(Br)cc21 1675400859 YMWTUFRNWOQJIK-INIZCTEOSA-N 459.300 2.943 30 10 JFEE C#CCN(C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@H]1CCS(=O)(=O)C1 1675907184 FPCOPDFJENRITG-NSHDSACASA-N 450.389 2.871 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1689831757 QTZOQIKTHLJQMZ-OFVILXPXSA-N 459.635 2.671 30 10 JFEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689917664 BUIQDCIOIPTQOH-UHFFFAOYSA-N 491.459 2.927 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689985915 FGTITJWBZHUQLM-SESVDKBCSA-N 457.600 2.562 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccsc1 1690104460 XIUBZYQBOJDYEW-XMMPIXPASA-N 481.626 2.507 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(F)cccc2SC)CC1 1690110406 KZMBGWMAIDHZMB-UHFFFAOYSA-N 458.607 2.861 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1690137798 JDDUIMABNVBCHP-IBGZPJMESA-N 485.032 2.533 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2ccn(C)n2)CC1 1690154698 WYEGPGTWRDZPGO-UHFFFAOYSA-N 477.638 2.821 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1690172276 BDBJUBOHPBEUBV-HSZRJFAPSA-N 450.616 2.949 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690279726 AMLQQXPDYXWHKH-MRXNPFEDSA-N 464.364 2.634 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1690303333 XJZDOEGGDOEXPP-UHFFFAOYSA-N 467.574 2.615 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1690432586 HBYBKPFNWGSJIB-QGZVFWFLSA-N 462.595 2.515 30 10 JFEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NC)CC1 1690454133 VJEHHNWKMVBKHG-UHFFFAOYSA-N 473.647 2.865 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)C1CCCCC1 1690662964 HPCDEAOBWBBNCS-UHFFFAOYSA-N 474.631 2.657 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@](C)(CC)C1 1690675730 CVHHZMHKWCIPFI-NRFANRHFSA-N 478.391 2.927 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)N2CCCCC2)C1 1690684720 MHAYZZWZWGWSTE-UXHICEINSA-N 453.591 2.971 30 10 JFEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690750245 DMLSUJSTQRHMED-UHFFFAOYSA-N 456.547 2.572 30 10 JFEE Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)s1 1693449735 ASHNHOURPOKVRG-UHFFFAOYSA-N 480.598 2.632 30 10 JFEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1695074628 GHSUJCGRFIVENO-QGZVFWFLSA-N 462.645 2.820 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1696487934 GVZKPUBKOYPCPS-HSZRJFAPSA-N 485.589 2.915 30 10 JFEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C#N)cc1 1696577928 CFYLHWUJGQLDSG-HSZRJFAPSA-N 474.613 2.734 30 10 JFEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(N3CCOCC3)CCSC2)cc1 1697397959 CODLBRZLENNJPY-NLFFAJNJSA-N 484.670 2.876 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCCC2)c1 1705504175 OTTRFWFEWYQQRQ-UHFFFAOYSA-N 466.586 2.558 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)c(C)s2)c1 1705505489 OQKBSPKFCKLKBO-IBGZPJMESA-N 477.594 2.601 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCN(C(C)C)C1 1705557411 ULMWLASROZILGI-XMMPIXPASA-N 463.674 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1705581093 WJQNWGZLUOGOAV-UHFFFAOYSA-N 488.592 2.894 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)Br 1705591041 DJBNDTKVQCYLHA-UHFFFAOYSA-N 471.327 2.799 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1705597633 MCSPZWZQABUNIY-RUZDIDTESA-N 485.604 2.818 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1705641367 CEMPPSBXYRWCGL-UHFFFAOYSA-N 466.577 2.960 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCS(=O)(=O)c2ccccc2)CC1 1705646817 PDMYPIXTCWYPRV-UHFFFAOYSA-N 495.605 2.676 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N2CCC(C)CC2)CC1 1705650411 RCDACMOIXAVRKN-QFIPXVFZSA-N 492.668 2.964 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1705660391 UQNUKHFBWBZGFN-NRFANRHFSA-N 489.667 2.538 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1705666280 ANLWIFVIRLPPFN-UQBPGWFLSA-N 498.653 2.555 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705667038 ZVYMSZHWCCBOPO-SFHVURJKSA-N 479.027 2.504 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705667176 JLBDUVWWTQRXLE-RXVVDRJESA-N 458.584 2.776 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1705674712 ORNNELZCBFJQJV-NTUVXCKYSA-N 459.591 2.740 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC(N)=O 1705695291 BIXVTXIZOUCFDY-XNJGSVPQSA-N 451.369 2.717 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCNC(=O)C(C)C 1705699607 JBTKBOQBLMAJMF-YADHBBJMSA-N 496.660 2.642 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705703949 PSOQDCCCNCCZSQ-LNLFQRSKSA-N 455.563 2.820 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705733697 WXNNZCMUJCXPEI-INIZCTEOSA-N 453.996 2.709 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705746572 VVKNKBCRINZKQO-HNNXBMFYSA-N 493.395 2.751 30 10 JFEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705811922 NHYVKRLZQODUNP-SJLPKXTDSA-N 456.522 2.996 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1705880194 YCIZKGXNDZKQNA-YOSAUDMPSA-N 492.642 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705930640 RVTKVFAJBZNWPH-ZILOHOTNSA-N 474.627 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(C#N)C1 1705936720 XAURUWRUKSJKMD-UGKGYDQZSA-N 457.556 2.521 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2sc(C)nc2C)C1 1710345269 DEFIUWQUMMYGBL-IBGZPJMESA-N 485.639 2.651 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1711085349 DJYUDQXRICQJMF-KRWDZBQOSA-N 485.639 2.886 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(Cc2ccccc2)c1 1722355380 VLYBLEICBRIUGC-JOCHJYFZSA-N 491.596 2.949 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722364587 LXCAHIGSZDFHTP-UWJYYQICSA-N 457.600 2.619 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1722368153 ZDAYFMAEPZTCJI-MBSDFSHPSA-N 492.667 2.618 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1cccs1)N(C)C 1722374738 DBMABTOOXKBUHK-OAQYLSRUSA-N 496.662 2.633 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSC(F)(F)F 1722382954 DVZCESJZCRXWHF-HNNXBMFYSA-N 473.521 2.912 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CC(OCC)C1 1722421416 QLZRCSSWHUPSIS-UHFFFAOYSA-N 463.376 2.724 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nc2c(s1)C[C@H](C)CC2 1722426895 HPVJQYWJWZIBHR-MRXNPFEDSA-N 453.616 2.855 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722452613 IFNIMRPKQOUBJX-DEOSSOPVSA-N 462.579 2.698 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722486805 FDDTUCWXGPOOMK-MOPGFXCFSA-N 478.439 2.595 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCSCC2)C1 1722716886 ZZXNGOWTJOVPAZ-LJQANCHMSA-N 459.616 2.792 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCOC[C@@H]2C)C1 1722725177 LJJAXDGIFVIWCD-UWHLTILDSA-N 490.649 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCc3ccccc32)nnc1[C@@]1(OCC)CCOC1 1722731280 IYNPVMWILOWGFQ-NFBKMPQASA-N 460.600 2.655 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1722731873 NJTQDYNOBXQXAU-IBGZPJMESA-N 489.642 2.898 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1722813753 FPBWINVMWQHNRC-UYAOXDASSA-N 475.519 2.806 30 10 JFEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C2CCCC2)CC1 1722826596 FYVCMGKNNGQWSI-UHFFFAOYSA-N 465.602 2.708 30 10 JFEE COCCN1C[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(C#N)CC2)CC1=O 1730778158 DATWDYKLRSOYEG-NRFANRHFSA-N 466.586 2.709 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1740566411 GKSONOOQGCCAOA-GOSISDBHSA-N 456.978 2.757 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1740616464 BMJDZDOOFDVYNR-QRVBRYPASA-N 460.600 2.894 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1740617143 MNICDNLFIISPDW-FPOVZHCZSA-N 456.612 2.657 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740623494 VGDKZDGQSQIXKS-QGZVFWFLSA-N 479.002 2.891 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1740624118 FYHKYSPAZABOCX-IBGZPJMESA-N 477.656 2.610 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(F)ccc1F 1740640718 UUQYWAWXZYTXSK-HXUWFJFHSA-N 471.508 2.986 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1740682744 HWFIMBJFAPMMDG-OAQYLSRUSA-N 460.582 2.695 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N(C)C)CC1 1740702627 UJSZQZNXIAWAAX-KRWDZBQOSA-N 487.004 2.516 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)C1 1740757080 SKIMOLZSGDVFRK-DNVCBOLYSA-N 460.376 2.967 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740762192 SADUYTYKQBBORA-HMDCTGQHSA-N 462.538 2.796 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740843324 FATZUWXXUUIOFL-MOPGFXCFSA-N 488.658 2.980 30 10 JFEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2CCOC[C@H]2C1 1740882149 BSVCZDGDEIKRIP-QGZVFWFLSA-N 480.382 2.960 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740952778 NJIMMNXYRJJBCE-LJQANCHMSA-N 494.625 2.829 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1740960762 ZWMVFGRQBVVHIR-NHCUHLMSSA-N 495.628 2.821 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740962791 PAAQSMMSTPGHNN-IBGZPJMESA-N 456.635 2.788 30 10 JFEE Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)s1 1742737687 BPMQGRFPNYFAJR-UHFFFAOYSA-N 466.571 2.544 30 10 JFEE CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1745888323 CUIXJIDRVJJCMH-OAQYLSRUSA-N 452.559 2.917 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC(F)(F)F 1748666600 DIGWBZOVEPICNV-CYBMUJFWSA-N 462.432 2.848 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1748699248 NJLRPWBUWDDUFO-IBGZPJMESA-N 456.566 2.571 30 10 JFEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(OCC(N)=O)CC1 1748738556 IADCNVGPLZDGMN-UHFFFAOYSA-N 464.339 2.731 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCn1ccnc1C 1748789920 QJVJNQKLXYIFNX-IBGZPJMESA-N 457.579 2.641 30 10 JFEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804539 ISWTYQQEALHWOC-HOKHCIIBSA-N 486.638 2.751 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748809602 OISBGJZXWHLEIY-ZRBLBEILSA-N 481.622 2.895 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817727 PCUDYFMZNNMXTJ-RTBURBONSA-N 463.673 2.858 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748819775 TZIIORNZINBQRZ-HFSMHLIXSA-N 477.030 2.822 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc(Br)c2C1 1749021805 APJFYLOZJKQPSC-CYBMUJFWSA-N 484.445 2.537 30 10 JFEE C#CCSCCn1c(N2CCN([C@H](C)c3nccs3)CC2)nnc1[C@]1(OCC)CCOC1 1749047612 ASHXYZVMQPIXFL-GCJKJVERSA-N 476.672 2.636 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@](C)(CC)C1 1749454889 LIIFWOHCUQDUAT-XMMPIXPASA-N 452.559 2.790 30 10 JFEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)COCCO1 1749560792 BAQPSUNSGIKMIJ-JOCHJYFZSA-N 460.604 2.531 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749651238 QFBBGSIWWOMOPO-WYEJZRMESA-N 485.585 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1749741379 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COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)cc(OC)c1 1084393567 WLNASHVGTYBLCZ-UHFFFAOYSA-N 473.471 2.613 30 10 JFEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1 1084578872 SURKOQGBSUATOF-UHFFFAOYSA-N 481.538 2.548 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)cc1 1150629091 KRVZRYJHZGEVPH-UHFFFAOYSA-N 459.421 2.721 30 10 JFEE C#C[C@@H](NC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCOCC1 1222140187 IVMIAKJZPKFBES-OAQYLSRUSA-N 452.521 2.945 30 10 JFEE N#Cc1cccc(-n2ccc(C(=O)N3CCNC(=O)[C@H]3c3cccc(Br)c3)n2)c1 1266235293 CLLAEZVSNNXHBH-LJQANCHMSA-N 450.296 2.820 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCSCCCO 1286289626 MFXKWZHXJMUPQT-QGZVFWFLSA-N 454.600 2.809 30 10 JFEE C#CCN(c1nnc(C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 1286385152 VBQAHFVNSFSWLK-FQEVSTJZSA-N 473.599 2.803 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286394904 XVEPOJAFJLAEGI-OAQYLSRUSA-N 486.638 2.897 30 10 JFEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286399592 JWBRBXMDZWAHGQ-DEOSSOPVSA-N 472.637 2.764 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CSCCS1 1286442715 KDFSDNGENHJXJW-INIZCTEOSA-N 454.625 2.983 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CSCCS1 1286459330 LFJLIUSXKVOCNO-AWEZNQCLSA-N 456.435 2.970 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(Br)cs2)CC1 1286472043 CXQOEAJYXHAENA-NRFANRHFSA-N 494.459 2.946 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2csc(COC)n2)CC1 1286484519 PTBBLGPXZBNUTG-UHFFFAOYSA-N 466.611 2.826 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1286522893 PNPWTAJVHIHBRZ-GHTZIAJQSA-N 487.592 2.837 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286668010 NVDHNZWBPHVIQS-LJQANCHMSA-N 459.558 2.951 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1286680621 ZAKAULYHGGVDAO-VAMGGRTRSA-N 457.600 2.603 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1286705729 DNYDXVQTPCVUMW-UHFFFAOYSA-N 487.004 2.609 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286787184 QMWCLSXHMUHVFN-QGZVFWFLSA-N 462.432 2.670 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286790219 KXRSCVCDRAXDLC-FQEVSTJZSA-N 468.602 2.859 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C)CC1 1286814892 HOHOVZUSJVVHCZ-UHFFFAOYSA-N 454.394 2.803 30 10 JFEE CC(C)(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1287042233 FVLBZVZRVRMIDQ-OAQYLSRUSA-N 485.658 2.551 30 10 JFEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1287216013 HPCKJSOSRFAUFF-XIFFEERXSA-N 463.611 2.922 30 10 JFEE CC(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1288201674 HHRDATXDZVRHFH-UHFFFAOYSA-N 486.624 2.763 30 10 JFEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)c1ccc(Cl)cc1F 1297712674 MWJISQXJYNEZTP-SFHVURJKSA-N 452.939 2.710 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(CCc2ccccc2)n1 1300273598 QYJWXXAOVDKDGR-DLBZAZTESA-N 472.640 2.636 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)n1 1300676542 PNUDVGVMZUPHBX-ZJSXRUAMSA-N 456.591 2.612 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1300688125 BAILGARPNRZXTL-QGZVFWFLSA-N 457.420 2.946 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1300703336 GUKOBYUANOZUQG-DEOSSOPVSA-N 450.974 2.580 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1300886516 YHULUYLEGOTWIW-ZRNYENFQSA-N 488.633 2.685 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300896661 HVJUEAJDZCGSQT-YSTOQKLRSA-N 488.633 2.732 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1301063631 GPZNOGFWJRLGSM-UHFFFAOYSA-N 466.567 2.675 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OC)n2)CC1 1301164489 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C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1301584793 DSFQVWPNEIFPRY-NRFANRHFSA-N 485.610 2.522 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)NC(C)(C)C 1301585481 MJRXDCKOOFMWGS-UHFFFAOYSA-N 486.598 2.552 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301617752 GWCAHAUXGQRYDU-AWEZNQCLSA-N 461.535 2.956 30 10 JFEE C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)CC1 1301980594 DQRJQAIHKFYPML-GOSISDBHSA-N 471.556 2.995 30 10 JFEE C[C@@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1305057327 ASGAGELGDUQNGC-ZHRRBRCNSA-N 459.957 2.788 30 10 JFEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1358094349 CIUWTXDIAQWODJ-KRWDZBQOSA-N 451.527 2.590 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1358928825 LSIYYGDZROVPKL-XMMPIXPASA-N 458.607 2.768 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358957073 PEBLASJMOBLEGW-LPHOPBHVSA-N 473.530 2.529 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358957448 UUGDGTJJHFQZNK-VQTJNVASSA-N 484.651 2.849 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cccc(N2CCOCC2)n1 1358983051 TZRMJOOODHBGSO-UHFFFAOYSA-N 476.968 2.863 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)N1CCN(CC)CC1 1359021320 LBXNAYJWLNJGIY-NRFANRHFSA-N 461.614 2.605 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCc2ccccc2)C1 1359056342 CUCMPZQQKDLRIG-SFTDATJTSA-N 474.652 2.590 30 10 JFEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359081812 ORQLYHLZYMGIHW-INIZCTEOSA-N 476.423 2.751 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359090273 XYQGQUWXERRLJK-NMLBUPMWSA-N 488.633 2.845 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ccccc2)C1 1359091942 UYHKBQRTPDOMSN-MXNKGDRCSA-N 489.642 2.917 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)[C@H](C)C1 1359106003 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2.637 30 10 JFEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283981324 KZMMINMXVWBGPC-CABCVRRESA-N 483.440 2.892 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2COC[C@@H]2N(C)C(=O)OC(C)(C)C)s1 2283985851 AWYVOCFRDPHGHU-WBVHZDCISA-N 480.436 2.854 30 10 JFEE Cc1ccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)cc1B1OC(C)(C)C(C)(C)O1 2283988083 QIWFYPSVYXGKLM-IBGZPJMESA-N 459.396 2.784 30 10 JFEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284018273 MRLFLLYAGCLOHC-HXUWFJFHSA-N 454.376 2.787 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2284048565 MGBRTFZUYHHWBD-KSSFIOAISA-N 464.343 2.993 30 10 JFEE C[C@H](NC(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2284053509 PJRPHELVCQAMHE-NPMXOYFQSA-N 480.436 2.987 30 10 JFEE CC(C)(C)OC(=O)NC12COC(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)c3F)(C1)C2 2284121673 FEXYGMUQIKPQAN-UHFFFAOYSA-N 462.327 2.890 30 10 JFEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2284132157 CDTAGCXFJCPCAY-UHFFFAOYSA-N 460.380 2.905 30 10 JFEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C2 2288266365 JTPVBOVAIWZMFY-ZHRRBRCNSA-N 498.476 2.724 30 10 JFEE COc1cc([C@H]2C(=C(O)c3sc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC 2296102799 AYRWGFJCERKRHN-SFHVURJKSA-N 475.567 2.769 30 10 JFEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C 2296113986 HLRPYPDUDDLGMZ-FQEVSTJZSA-N 484.509 2.700 30 10 JFEE C[C@@H](C#CC(=O)Nc1ccc(I)cc1C(=O)O)NC(=O)OC(C)(C)C 2318632568 UCCVXVKSYVHVRK-JTQLQIEISA-N 458.252 2.845 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2318810173 MGZOGMKRBGMLNB-HCXYKTFWSA-N 451.612 2.842 30 10 JFEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1 2325472178 DBTDEYVMMQXLBA-ZHRRBRCNSA-N 457.568 2.526 30 10 JFEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccn1C 2325917359 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COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(C(C)C)c1 604004494 AOBPQOVOOXNMNF-GOSISDBHSA-N 461.587 2.677 30 10 JFEE O=C1[C@H]2C=CN(c3ccc([N+](=O)[O-])cn3)[C@H]1[C@H]1C(=O)C3=CC=CC[C@@H]3[C@H]2N1c1ccc([N+](=O)[O-])cn1 1078380047 HHWKTDUAYNPOQX-VQRRFNJKSA-N 486.444 2.523 30 10 JFEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)NCCc1ccccc1 1084459102 GGSVFNIRYIWVRF-UHFFFAOYSA-N 461.551 2.748 30 10 JFEE CCOC(=O)c1ccc(N=C2S[C@H](C(N)=O)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 1084572920 NJVCSNUXJCVVAG-IBGZPJMESA-N 471.535 2.888 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1F 1142179858 ABUACNAHLCOENC-PZJWPPBQSA-N 466.513 2.946 30 10 JFEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1C 1148274865 GMEAWBIIUDQHKR-UHFFFAOYSA-N 450.587 2.611 30 10 JFEE C=CCO[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1266575778 BGEJPFKMRCSVOK-WBVHZDCISA-N 457.390 2.653 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1286387464 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C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1705560796 NMUILSJNAAWUCX-WIYYLYMNSA-N 485.654 2.779 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705570284 NVZJRPLZABPQFV-ILWGZMRPSA-N 456.612 2.916 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCC)cc1 1705580716 PERILOUABWEFGV-UHFFFAOYSA-N 462.579 2.758 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1705635586 CWPPDZWSZOGTOO-UHFFFAOYSA-N 450.509 2.876 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)CC1 1705647020 XGNXJAGCPQCXLQ-UHFFFAOYSA-N 492.668 2.931 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C 1705659401 UZOCNWBCZVNTTQ-UHFFFAOYSA-N 483.001 2.582 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705660636 AOVMMPHSRSDRPB-FQEVSTJZSA-N 487.029 2.655 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOCC)CC1 1705682537 CTZQCWYXEJYEAK-UHFFFAOYSA-N 478.391 2.783 30 10 JFEE 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1749003639 QGXRNKBMFIAIAL-UHFFFAOYSA-N 470.480 2.857 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1749026587 NJJQXXFDPMCVFO-UHFFFAOYSA-N 496.681 2.891 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749047080 NNDHKJAFKQDHNB-HXUWFJFHSA-N 468.627 2.881 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1749080293 KLVYZNWAFYMRBX-FLFXDLLNSA-N 491.658 2.866 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1749114647 DTGCPJPOKHSNSN-PXNSSMCTSA-N 454.531 2.868 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749414195 ATWDCVGNHGFOSG-IBGZPJMESA-N 488.658 2.855 30 10 JFEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1749466601 UJTYHYUTFLOZNZ-RDGATRHJSA-N 455.603 2.556 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1749676913 HXVNBNMKHSZZGO-SFHVURJKSA-N 451.493 2.913 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)N2CCOCC2)C1 1749721531 MTRCVSJOODCIRS-UWHLTILDSA-N 490.649 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(CC)C1 1749725697 UXEZTNCHZUAHHA-GOSISDBHSA-N 472.409 2.642 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749740862 ZPZRIIRUVADCPU-DHIUTWEWSA-N 484.663 2.561 30 10 JFEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1)N1CCOCC1 1752387000 ATQQOKVJNRFPBP-OFNKIYASSA-N 468.602 2.701 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760184965 NDZBGANEELDPBX-RTBURBONSA-N 459.591 2.585 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1760214492 QWOKAUUOGUOKRN-LSDHQDQOSA-N 493.365 2.697 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSCCCO 1760219224 XZOADBXPQSYWCU-HXUWFJFHSA-N 475.659 2.971 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)NCC(F)(F)F 1760245194 VLTFZKICGGBHRB-AWEZNQCLSA-N 469.533 2.896 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1760267371 ZTUFLJPSEUVGNJ-UHFFFAOYSA-N 491.596 2.697 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)c2ccccc2)CC1 1760271674 GJCUNMVCJRNALE-UHFFFAOYSA-N 477.638 2.736 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CN(C)CCC)C1 1760279375 BAFQELOAYSIWBT-IBGZPJMESA-N 479.654 2.727 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C 1760279727 DUBDGSHHTYXQDX-SFHVURJKSA-N 478.663 2.720 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760325835 SMSGQISUKXAUOA-SPEDKVCISA-N 478.590 2.991 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760423246 ZOVOTCZWRWAQHC-PXNSSMCTSA-N 458.588 2.694 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNS(=O)(=O)Cc1ccon1 1760458073 RTKLAPHFAKWNQZ-UHFFFAOYSA-N 458.588 2.972 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1)C1CC1 1760476926 KJJQBUVBEJATMA-KRWDZBQOSA-N 459.563 2.591 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1760516934 YMVQKIBZTZLNFN-INIZCTEOSA-N 464.530 2.540 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C)n(C)c2=O)C1 1760538380 YWOLJWJAQJGURJ-HXUWFJFHSA-N 465.554 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccccc1C 1760557379 JOIVIGAGVXBBLB-HXUWFJFHSA-N 457.600 2.651 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CCO1 1761306242 HAEJHWSCXKQFKC-IFMALSPDSA-N 455.559 2.786 30 10 JFEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCS1 1761565655 GGGSYLCXZXBKOR-UHFFFAOYSA-N 457.600 2.992 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1767063615 HYQLWCQYMKRIJZ-UHFFFAOYSA-N 450.568 2.739 30 10 JFEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1OC 1767537736 AMXZKEQWTSGXDD-UQBPGWFLSA-N 485.608 2.820 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1771112175 HSLLPEMCCRRBAW-MOPGFXCFSA-N 462.595 2.796 30 10 JFEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCc3ccccc3)cc2)c1 1858651603 ZWFXASOIVHDBNX-UHFFFAOYSA-N 462.531 2.719 30 10 JFEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc4c(c3)OCO4)cc2)c1 1859008719 ZABUGNOMSWUEJE-UHFFFAOYSA-N 493.497 2.737 30 10 JFEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(O)c1)c1c(F)cc(F)cc1F 1862457164 JXTNRLJYZBRPNJ-FQEVSTJZSA-N 462.424 2.720 30 10 JFEE O=C(NCc1cccnc1)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932073 SIFOCFXADOAWQJ-FQEVSTJZSA-N 466.588 2.739 30 10 JFEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3c(F)cccc3Cl)CC2=O)cc1 1870110785 IMFUMCFNFUZILT-ZDUSSCGKSA-N 468.876 2.991 30 10 JFEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1 1870143348 IRIPURWRQQJYDO-HXUWFJFHSA-N 458.478 2.715 30 10 JFEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870143776 BFIQPMLAOJHRRZ-UHFFFAOYSA-N 479.294 2.835 30 10 JFEE N#Cc1ccc(COc2cn(Cc3ccc(F)cc3)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870348060 HBRVETJMQXTEKD-UHFFFAOYSA-N 476.552 2.596 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1CCc1cnc[nH]1 1870378140 LUMNLZKFRBSPRY-UHFFFAOYSA-N 487.560 2.663 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2CC)cn1CCOCCO 1870749778 MZRMNXDMZXKGLK-UHFFFAOYSA-N 469.582 2.611 30 10 JFEE CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccc(C#N)cc1 1873864732 VZAPLVPITNIHHI-GCJKJVERSA-N 486.569 2.878 30 10 JFEE CN(C)c1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874208839 PVSCUIYYKRGJGM-PXMCARDJSA-N 464.595 2.827 30 10 JFEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874500925 HEVZOADCVXOFEH-GZIVZEMBSA-N 465.919 2.676 30 10 JFEE C=CCn1c(C(=O)N2CCCCC2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875230372 WOWDDAYDUMOUGC-UHFFFAOYSA-N 454.556 2.503 30 10 JFEE Cc1c(I)c(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c1CN1CCNCC1 1887534924 FHMRGSCRMBXJAK-UHFFFAOYSA-N 470.204 2.921 30 10 JFEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccccc2)CC1 1891849594 AOQBHXPYLSMOIB-DEOSSOPVSA-N 499.571 2.772 30 10 JFEE 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C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[C@@H](OCC)C(C)C)CC1 1300700453 PWUYPCNLPIPULP-OFNKIYASSA-N 453.587 2.997 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1300711775 HBBFUVIZQKKDRN-QZTJIDSGSA-N 460.623 2.918 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 1300733019 GXLOFEYEEPQNBO-IRXDYDNUSA-N 488.639 2.780 30 10 JFEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1300760835 HSQSWZSBBAJLJZ-QFIPXVFZSA-N 467.639 2.738 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1300805478 DVNDPAHEJIYYQP-WIYYLYMNSA-N 497.543 2.670 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)ccc1F 1300850144 ZITNPMZAMMPTNT-HSZRJFAPSA-N 458.511 2.930 30 10 JFEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1300861208 BZPWOKNEWVDFFR-AEFFLSMTSA-N 483.455 2.540 30 10 JFEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)NCCC)CC1 1301120239 LKXCZIWFWXQLEW-UHFFFAOYSA-N 463.586 2.994 30 10 JFEE 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30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358957879 BUCINLFMNHCPRY-NHCUHLMSSA-N 485.585 2.915 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1358958870 XTODWHSDSSAQBT-GOSISDBHSA-N 495.443 2.805 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358961409 YIWLLPWMUQNMAJ-PKOBYXMFSA-N 471.558 2.517 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1358962012 IOPFMDDHTKHISA-ROUUACIJSA-N 498.527 2.746 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1358964909 JVXRYFQKHYGMIS-QGZVFWFLSA-N 488.411 2.886 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1Oc1cccc(F)c1 1358985062 NYDJXXLHIMQORW-GOSISDBHSA-N 496.568 2.726 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCCC1(C)C 1358991979 VPQVOKVMDNIEDD-AREMUKBSSA-N 458.566 2.596 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2nsnc2c1 1358997301 NIGKDICZGJVKEK-UHFFFAOYSA-N 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30 10 JFEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1nnc(C)s1 1359281199 RVDVQVITXDAKEJ-UHFFFAOYSA-N 452.544 2.635 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2csc(C)n2)nnc1[C@]1(OC(C)C)CCOC1 1359306009 SQJQFESGFDMAAZ-GCJKJVERSA-N 460.604 2.727 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@H](OC)C(F)(F)F)C1 1359319251 WBXCQUQBCWWOGQ-CJNGLKHVSA-N 457.453 2.755 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCNC(=O)C(C)C)C1 1359322544 YDLZVDVMAPEYPI-GHTZIAJQSA-N 455.559 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCC2)CC1 1359327539 DRMLOKMVBBVCFQ-UHFFFAOYSA-N 481.569 2.822 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1 1360474124 HRUOKLURRFDZAU-SFHVURJKSA-N 458.636 2.853 30 10 JFEE CC(=O)N(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Br)cc1 1459024248 GISNVSVDDFIEMP-UHFFFAOYSA-N 450.314 2.691 30 10 JFEE N#Cc1cc(Oc2ccc(NC(=O)NCCS(=O)(=O)NCc3ccccc3)cc2)ccn1 1466754650 FRSXRJWYHCNKLF-UHFFFAOYSA-N 451.508 2.987 30 10 JFEE 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463.570 2.855 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1508071119 BDGOQMXAGOLFBF-QGZVFWFLSA-N 467.599 2.596 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)C1 1508126009 QLQMKCLMZJCXET-QFIPXVFZSA-N 453.635 2.843 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1508645325 FTQGPXYIOLRLHX-IBGZPJMESA-N 463.546 2.602 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCc1ccccc1 1509682084 AASVRUVIHFXKBZ-UHFFFAOYSA-N 458.570 2.642 30 10 JFEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cnn1C 1510499885 GJWCSVHRBITDLW-UHFFFAOYSA-N 461.574 2.537 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1517451396 HUCVXTPMSPCCTC-QFBILLFUSA-N 451.600 2.999 30 10 JFEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(I)c(I)c1 1521487755 DHNFNFVZYXWQAH-NEPJUHHUSA-N 469.060 2.969 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OCCC)nc1 1539002399 CSLPKSBKWMRXGN-KRWDZBQOSA-N 457.538 2.882 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539220059 PERXHEXUMXBAEB-FQEVSTJZSA-N 487.029 2.548 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1539315146 FRWYTLSKLFRTPY-UHFFFAOYSA-N 483.580 2.533 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1cc[nH]n1 1539390082 IBIUHPMPLFARLF-UHFFFAOYSA-N 458.501 2.581 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2ccccc2)CC1 1539452074 JZSHCVUAUMUZAA-HSZRJFAPSA-N 494.640 2.975 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2nccnc2C)CC1 1539470449 PWJZJKDHVYZRKU-UHFFFAOYSA-N 495.534 2.853 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539475304 BEJPNZYXIJFQJF-NHCUHLMSSA-N 463.630 2.674 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539520754 WPOBPCJJZMLMLD-UHFFFAOYSA-N 461.570 2.968 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1539551887 CFOFZWIQFGYZOX-RUZDIDTESA-N 461.570 2.535 30 10 JFEE C=C(Br)Cn1c(CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1539599257 BULVSCMUZVRNKY-UHFFFAOYSA-N 458.364 2.720 30 10 JFEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cccnn2)CC1 1539608340 ZKIAUAZQODCJKV-UHFFFAOYSA-N 486.374 2.891 30 10 JFEE C=C(Br)Cn1c(N(Cc2ccnn2C)C2CC2)nnc1[C@@]1(OCC)CCOC1 1539609172 LUUCIGPKJQURRF-LJQANCHMSA-N 451.369 2.741 30 10 JFEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1539743021 RRQUITVQLTXCNI-UHFFFAOYSA-N 452.534 2.896 30 10 JFEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1539918019 ZBTFDMSUBFDZEG-BGYRXZFFSA-N 455.607 2.904 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(S(=O)(=O)CC)CC2)cc1 1540877949 JZVJEYRYYFNUFX-IBGZPJMESA-N 460.600 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NCCC)CC1 1540900532 YYKHGPDSFUWPID-UHFFFAOYSA-N 459.616 2.597 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1 1542388102 LZKBSOMLYHLULK-LJQANCHMSA-N 455.515 2.776 30 10 JFEE C=CCN(CCOC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1543595637 NBDRFMPYXGFQTJ-CYBMUJFWSA-N 451.408 2.572 30 10 JFEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)C1 1555800733 GNONICZRXOEDLW-RTBURBONSA-N 461.613 2.638 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1556558456 ZJBCNIAWEFFPAM-HKBQPEDESA-N 454.589 2.825 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)ccc1F 1570327907 CIYRLTSTEHBJRT-QGZVFWFLSA-N 455.552 2.808 30 10 JFEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)C2)nc1 1583979756 FRSIMEVIAUGCDG-FQEVSTJZSA-N 454.552 2.811 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587661942 JUZRIQNPNJKDFZ-WOJBJXKFSA-N 460.586 2.858 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H](C)CN2CCN(CC)CC2)c1 1587692788 LRKBMACFXRURLZ-NRFANRHFSA-N 477.657 2.875 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCOCC1 1588628509 KGYIPRGZZMOMTF-UHFFFAOYSA-N 464.570 2.578 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CCOC)CCCC2)CC1 1588762466 IEXBODKHZLJDBA-UHFFFAOYSA-N 485.654 2.701 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)CN2CCCCC2)CC1 1588780041 FRUNTORUQIDPJU-NRFANRHFSA-N 466.630 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1588914161 YSMOQSPWPCEDLH-DEOSSOPVSA-N 466.973 2.800 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1589053794 UHEITBWUNXVJCL-PBHICJAKSA-N 492.527 2.714 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1589641177 GJJAILDQFXUKCM-FQEVSTJZSA-N 479.629 2.951 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1594193543 REKVECBSNATJRD-SJORKVTESA-N 484.667 2.936 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1594448689 LHIMVYXLCPMIPG-UHFFFAOYSA-N 474.009 2.925 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2cnnn2C)C1 1595690019 ZCKCGFMQFNTPSK-MRXNPFEDSA-N 474.363 2.674 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1595759977 IHSTVRHZKWPXEE-ROUUACIJSA-N 453.653 2.771 30 10 JFEE N#Cc1cn(CC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c(=O)nc1O 1596868901 BFZOFJAAJNGVAW-SFHVURJKSA-N 457.259 2.628 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1619899643 DHMQUICUFUFHFS-UHFFFAOYSA-N 483.576 2.844 30 10 JFEE C[C@@H]1C[C@H](CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CN1Cc1ccccc1 1623191264 CHLARGHNUUJDOP-QUCCMNQESA-N 454.596 2.532 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)Oc2cccc(Br)c2)cc1 1630328233 FPDKZYJZGVYEAM-AWEZNQCLSA-N 451.342 2.558 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1 1632549490 JMWNIJZBRREFIM-JOCHJYFZSA-N 451.589 2.918 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)=O)C1 1649538796 HIOSFOLCUCKGDK-IBGZPJMESA-N 473.647 2.899 30 10 JFEE C=CCn1ncc2ccc(NC(=O)N3CCCN(S(=O)(=O)c4c(C)noc4C)CC3)cc21 1674674078 WKMATCCIGOQFAK-UHFFFAOYSA-N 458.544 2.756 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccccc1 1689853516 UYEXDXXVBSPVJL-NNPDTBDGSA-N 469.586 2.952 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1689864840 JCLRAKRGKGOLDA-FXAWDEMLSA-N 481.519 2.977 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2nccn2C(F)F)c1 1689873844 YXSOPPGGDVYPMI-UHFFFAOYSA-N 493.522 2.836 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1689875152 LEFMHZGXQAPZRE-IEIRFRATSA-N 470.643 2.750 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1690009878 NGPKNRMAZYZUEM-HXUWFJFHSA-N 456.554 2.527 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CC1 1690048116 CXMDIXXMXINWBJ-FQEVSTJZSA-N 471.602 2.866 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(CC)CCCC2)CC1 1690115188 WHRGCIFOHASLAX-UHFFFAOYSA-N 484.670 2.921 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCCC2)CC1 1690154066 JAISLXILCIIGGI-FGZHOGPDSA-N 470.662 2.648 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690230978 XDPJHWWLNUOFRV-MOPGFXCFSA-N 461.408 2.720 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 1690502784 GQWWJEZCRZOPRB-GOSISDBHSA-N 492.418 2.830 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1690556429 WWGNNKHKOVWROE-NTKDMRAZSA-N 486.594 2.882 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CCC1 1690595212 QVKCUNCCNZFMAR-JGCGQSQUSA-N 455.632 2.932 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690682496 QBTJTVJAYRYBME-RDJZCZTQSA-N 451.449 2.610 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(S(C)(=O)=O)CCC2)C1 1690706932 LYXKDYNRYFORFX-MRXNPFEDSA-N 466.554 2.896 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690748818 IEJSEYXXZFEYKK-QGZVFWFLSA-N 455.675 2.957 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2cc[nH]n2)c1 1693031671 FOYGPQGVGUUACA-UHFFFAOYSA-N 462.558 2.757 30 10 JFEE CCN(CCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1695740373 IFZHWPZMUAHXDO-OAHLLOKOSA-N 483.436 2.975 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ncc(Cl)n1C 1705527093 VPNKNKZPMIJOPF-UHFFFAOYSA-N 476.006 2.632 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(C(C)(C)C)s1 1705552878 QCFLBEXVNKMZMB-UHFFFAOYSA-N 451.604 2.719 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1705562492 DEQDIPKIUCZHHV-YLJYHZDGSA-N 492.045 2.778 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705569850 HMRUUQPWQLCSCQ-MOPGFXCFSA-N 460.600 2.579 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1CCN(c2ccccc2)CC1 1705584618 RNDJREAOKMVHOX-UHFFFAOYSA-N 453.594 2.549 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)cc2F)CC1 1705642186 JVUNEHPAGHQSIP-UHFFFAOYSA-N 472.977 2.866 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Br)cc2C1 1705662018 NUTYNIUJXFYMQS-INIZCTEOSA-N 495.468 2.872 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(OCCN(C)C)c1 1705678622 JLWBDCWEKSXNKQ-RZPFDVGOSA-N 467.614 2.983 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705683423 HOCXTQSGAIWCNU-UHFFFAOYSA-N 481.358 2.851 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705694671 SOWFYVHAYFFZNZ-BJLQDIEVSA-N 453.591 2.593 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705700912 AEWYYTIMPICTHG-PGRDOPGGSA-N 477.606 2.507 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705727833 CTKDRCAOKVPYGJ-QHCPKHFHSA-N 465.646 2.524 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1705731488 WAFONYGAKUDKBX-GOSISDBHSA-N 487.626 2.507 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705731703 AWDARNRGZVMEPN-OAQYLSRUSA-N 491.640 2.979 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705732250 SXMYOJOFCMITFN-SQJMNOBHSA-N 491.640 2.788 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705733618 RTTBGZZUBBUWOV-NRFANRHFSA-N 473.021 2.934 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705736534 VWQRZGFWARZIFY-MSOLQXFVSA-N 462.595 2.658 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCSCCCO)CC1 1705769599 XFLXMJWRWZBHJU-GOSISDBHSA-N 467.636 2.859 30 10 JFEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1705796114 ZNBSPYGUSSTABQ-UXHICEINSA-N 480.594 2.909 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1 1705830575 SKAGRHOBQOEGNL-UXHICEINSA-N 478.638 2.710 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1705832899 NARYJETXYMYWMV-RTBURBONSA-N 454.637 2.803 30 10 JFEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1)C1CC1 1705856298 OCLZODNOQRJCEL-KDURUIRLSA-N 460.623 2.926 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1705912973 AIDAXAKYCXWUFV-OAQYLSRUSA-N 475.615 2.605 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C 1705936584 UOJOQJBCLLQCIF-OALUTQOASA-N 473.647 2.678 30 10 JFEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705940843 QRIGNFMEDRGWNN-QGZVFWFLSA-N 458.613 2.878 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709013004 AZFPXPYQRJWRDK-UHFFFAOYSA-N 477.617 2.813 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1709885296 HQAYADKPZVSMKO-UHFFFAOYSA-N 487.674 2.703 30 10 JFEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)c1OC 1711810380 HQDOWZHYKWOARW-VWLOTQADSA-N 482.585 2.913 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)n1 1712343459 HLASXFWRORTLCH-UHFFFAOYSA-N 458.526 2.971 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1722279509 HJKZGTGZNOWZIV-GJZGRUSLSA-N 451.390 2.990 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722339721 ZFLQOMVZGMTUPY-QFIPXVFZSA-N 478.641 2.618 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722363436 UCDYHCBNALYULB-LJQANCHMSA-N 490.651 2.732 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@H]2C)CC1 1722443194 DZTHDVMKSNFVSB-NQIIRXRSSA-N 483.638 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CN(C)C)CC1 1722443469 TXAPOFLPORZUIR-UHFFFAOYSA-N 482.629 2.516 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1722450505 KQTIFJDZVQNJPA-LJQANCHMSA-N 493.942 2.901 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1722453490 UZJAFCHICFYECM-UHFFFAOYSA-N 480.682 2.852 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCN1CCCS1(=O)=O 1722467510 CMKQXBFGJNHIOC-HXUWFJFHSA-N 496.406 2.874 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1722476220 PFHISBVQLIKFTP-NHCUHLMSSA-N 461.360 2.763 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722495790 ZAEPJEBDJLBHAG-FCEUIQTBSA-N 469.586 2.682 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722522907 LGBQKIZPCARONL-GOSISDBHSA-N 463.586 2.757 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(=O)OC)C1 1722538437 XWPQNZXFODEGMA-OALUTQOASA-N 477.606 2.985 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1722543230 GNVLTZOPXIPKGB-UHFFFAOYSA-N 492.411 2.998 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722620119 JEYBFGHNSWOHOI-RBUKOAKNSA-N 455.515 2.854 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C3CC3)ccc2F)C1 1722710466 JKFWSLWYORZYRH-DNVCBOLYSA-N 463.579 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722724746 DWFDQVQFQJJDOZ-HNNXBMFYSA-N 469.011 2.884 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1722728824 YTXOLLRQGPIZPU-HXUWFJFHSA-N 485.610 2.692 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1727927370 DXOOKUUYUHCTHR-CEYNDMKZSA-N 466.586 2.753 30 10 JFEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1729311147 AJXBQNNNBOXMDX-IBGZPJMESA-N 497.600 2.653 30 10 JFEE CS[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1731044250 BMQFSTKPJRNVPZ-SFHVURJKSA-N 453.616 2.740 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740587933 BTCRCXVHDMMWSM-UHFFFAOYSA-N 480.432 2.981 30 10 JFEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1740590385 LEOOHSIZZOOPNL-MOPGFXCFSA-N 457.579 2.736 30 10 JFEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740590615 HIFFJLZDABCBMS-AUSIDOKSSA-N 469.033 2.925 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1740622310 BOGMCFQNEYOBIS-IBGZPJMESA-N 469.567 2.653 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740643447 IZQLYKJYEGIUMR-HXUWFJFHSA-N 479.478 2.722 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC(C)CC2)CC1 1740700015 CCLZMGQPSIOOII-UHFFFAOYSA-N 454.594 2.873 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1740722718 INFGLKDGTSIYDV-UXHICEINSA-N 492.690 2.873 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1740836144 HEAUOCWKGBDUFP-ZNTNEXAZSA-N 478.553 2.891 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1740876327 HCVQTQPCRRGKJJ-RBUKOAKNSA-N 474.606 2.754 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1740886377 FOOOSVOZTDGEFK-UHFFFAOYSA-N 452.603 2.937 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1740991216 QUQISPLEWZIENM-SFTDATJTSA-N 460.600 2.916 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)C1 1741025695 AAYUHOLVPLJPJM-OAQYLSRUSA-N 463.586 2.557 30 10 JFEE Cc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCS(=O)(=O)C(C)(C)C)o1 1742202028 AMMYDJQYIHYJID-UHFFFAOYSA-N 483.598 2.653 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(C(N)=O)CCCC1 1744103094 HGRFFLPPGRMARR-OAQYLSRUSA-N 493.612 2.692 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cc([C@H]2CCOC2)cn1 1748689965 LHKKCZFPLJNKRX-VNYTWHDVSA-N 483.617 2.907 30 10 JFEE COc1ccc(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1748695969 GHXOXCMVVCDZQF-HKUYNNGSSA-N 450.543 2.908 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748810712 ZWQXLGPQFFNLDN-SFTDATJTSA-N 455.628 2.755 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2sc(C)nc2C)n1 1748971490 RPSSJYLALSJMHG-LJQANCHMSA-N 469.615 2.776 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(CC)CCC(F)(F)F)CC1 1748988792 BKUIQLDDSLDQJE-NRFANRHFSA-N 492.546 2.820 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(Cl)cc2)CC1 1749005461 WKBAHRDLLHIVNV-QGZVFWFLSA-N 459.978 2.670 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](OC)C(C)(C)C)CC1 1749014099 DQPGGTZGXUDMNC-VXKWHMMOSA-N 481.597 2.818 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749084309 QTWANWAQMQXNDA-OAHLLOKOSA-N 476.379 2.575 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1749124413 NNNLXEBSOBKMAC-FXAWDEMLSA-N 463.579 2.537 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCCS(C)(=O)=O 1749126547 DQINVXZEFHYALZ-DENIHFKCSA-N 484.626 2.983 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1749214131 VBHZUJQHNVBXRC-QGZVFWFLSA-N 463.604 2.571 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749358105 CXWZXKHIBHUQNC-UHFFFAOYSA-N 469.615 2.815 30 10 JFEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 1749382524 NOBXGNLSLMYQFT-OAQYLSRUSA-N 483.642 2.804 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1749554542 VEBVOMXTIADVBJ-OAQYLSRUSA-N 458.632 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749724021 GIQAAHQXSXYIEC-KRWDZBQOSA-N 460.991 2.927 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749725492 VTJZUJLJYAFRAH-UHFFFAOYSA-N 471.627 2.557 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)NC(C)(C)C 1749729718 PLWKEGHIIOGIGH-UHFFFAOYSA-N 453.996 2.550 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C 1749734933 OBXYMBLUHPYXPC-KRWDZBQOSA-N 483.635 2.566 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCSCC1 1760110550 FALLYWGMHAPAFZ-GOSISDBHSA-N 465.627 2.743 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760189012 FLWOTMKDUDQAHE-DHIUTWEWSA-N 499.681 2.625 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1760189748 WITSBUFUYLUPTR-WMZOPIPTSA-N 482.528 2.806 30 10 JFEE C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760220125 WPSCRUUZKHTDSC-QHAWAJNXSA-N 455.603 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C(C)C)cs2)CC1 1760265274 VEOMZZJOHFLTHY-UHFFFAOYSA-N 492.609 2.519 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccncc2Cl)CC1 1760273352 PVAQVRJTYKLHLN-UHFFFAOYSA-N 494.983 2.928 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1760299077 GDUWGOMGFVKCTE-JRINMYIISA-N 457.619 2.684 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)COC(=O)N2 1760303699 VVAWLEXLXNURFK-UHFFFAOYSA-N 463.292 2.841 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760422139 BBJGOPBKKWTQEJ-KNQAVFIVSA-N 473.643 2.862 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760440270 GCEAKJMEPMVGIJ-IBGZPJMESA-N 457.600 2.545 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)nc1 1760493796 AVIJUFBMWLXZKV-UHFFFAOYSA-N 466.615 2.926 30 10 JFEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760532897 IKDQFHCPOAUXHS-JOCHJYFZSA-N 453.587 2.917 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CCO1 1761303457 DIYRKOSXGNNICC-HXUWFJFHSA-N 454.575 2.752 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccccc1F 1761363480 GPGTWXWFVNOSLJ-OAHLLOKOSA-N 469.546 2.577 30 10 JFEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccsc1 1761510242 FMWOCVHPFXTLJU-HXOBKFHXSA-N 450.568 2.878 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1767063348 BSUIGVUJNDLZLQ-FYYLOGMGSA-N 480.613 2.954 30 10 JFEE CCCCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cc(C)ccc1S(C)(=O)=O 1860995604 NJNMXFHDTXVPBR-LJQANCHMSA-N 467.632 2.629 30 10 JFEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862568370 NPJRBJXHVAPCPQ-NRFANRHFSA-N 483.477 2.689 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862580162 YOSQGSYLIQWEMO-IBGZPJMESA-N 458.423 2.542 30 10 JFEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Br 1862599380 GPUOCFXVKJBBFU-GOSISDBHSA-N 459.296 2.869 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2cnc[nH]2)ccc1O 1862609380 LRKQAKQFSXCELA-JOCHJYFZSA-N 477.473 2.716 30 10 JFEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc(O)c2)c1 1862698275 FHNYHIJKBNFDFX-QFIPXVFZSA-N 494.525 2.827 30 10 JFEE CC(C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1ccc(C#N)cc1 1873864702 UPYODGFADDUOQC-UGKGYDQZSA-N 468.579 2.738 30 10 JFEE CCOc1cccc(/C=N/n2c(SCC(=O)OC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1874276786 BLBNPAHLEBJHSB-PDYUXYPTSA-N 459.572 2.939 30 10 JFEE CC(=O)NCc1nnc(SCc2ccccc2F)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874433608 YNVJTBCNYYRWSJ-YSURURNPSA-N 486.485 2.907 30 10 JFEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)CC1 1889406586 BYSNIDVARNMTIW-UHFFFAOYSA-N 466.395 2.850 30 10 JFEE Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889718825 ZMTDBZSUWGCRIL-UHFFFAOYSA-N 468.063 2.848 30 10 JFEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCN(S(=O)(=O)C4CC4)CC3)ccc21 1890866852 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2.720 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1300952319 QQLSMZNVQBYEKD-SJLPKXTDSA-N 468.526 2.936 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301023501 GOWGADIMKVCAMQ-OAHLLOKOSA-N 454.756 2.720 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1301196707 IFUXQPAPELGFSF-UXHICEINSA-N 452.669 2.947 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1301350248 UGUMUPOYWDRIFT-RBUKOAKNSA-N 466.517 2.797 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](COC)C1 1301501274 UPBSPYUWTJZDNX-OALUTQOASA-N 476.622 2.558 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1301502555 KLYDNKKOKYRYHB-UHFFFAOYSA-N 473.021 2.908 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H](CC)O[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301596008 DVJBQWOSQQAZQZ-YRXWBPOGSA-N 497.662 2.653 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301610024 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499.637 2.827 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1690284734 VNTWLLRZMHYPQY-OALUTQOASA-N 493.612 2.619 30 10 JFEE C=C(C)Cn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690296896 VEDYFGJYHRAGRL-HOYKHHGWSA-N 458.559 2.966 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690315471 BHJIDIHSQNFQSN-UHFFFAOYSA-N 484.620 2.735 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690354692 XUBFFLGCTZNIMA-VGOFRKELSA-N 489.020 2.607 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690630017 RSNRKXIXEQKZMQ-UHFFFAOYSA-N 475.619 2.790 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1690664478 UXAIMAACYGGDDW-UHFFFAOYSA-N 489.418 2.765 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1690686532 PTEKBMCDLYZAOE-XUWVNRHRSA-N 465.542 2.963 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690729770 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494.662 2.607 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359283153 WJVGVUCZZJTMNU-JOCHJYFZSA-N 451.619 2.938 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1359300895 MFKOBBMOYIIGIS-NQIIRXRSSA-N 459.978 2.688 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1359301985 SKMMLFQHNXWXIM-UHFFFAOYSA-N 492.603 2.859 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359328907 RMDKFHBQAMGECN-HNNXBMFYSA-N 462.494 2.995 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccc(Br)n2)CC1 1359396504 CSEPBVFZFWKNMS-UHFFFAOYSA-N 496.369 2.603 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1F 1443703081 FCBPDKYAEUWFFJ-OAHLLOKOSA-N 455.552 2.667 30 10 JFEE Cc1ccccc1[C@@H](CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)NC(N)=O 1452951741 HKKQPJYOWNVVFO-JOCHJYFZSA-N 457.538 2.705 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)ccc1F 1454546838 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2.961 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507822118 UUYYPWTVOCJADQ-IBGZPJMESA-N 474.631 2.831 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1508131067 KHGYZCPSJBYZJH-PMOLBWCYSA-N 457.600 2.983 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2ccnc(C(C)(C)C)n2)C1 1508131299 LRRMHHRJACKVLT-FQEVSTJZSA-N 467.618 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1508142556 FAZXMMDHPKMTJL-UHFFFAOYSA-N 484.626 2.884 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CC(C)(C)C1 1510217323 IDJSHGCEPVPKNI-MRXNPFEDSA-N 489.621 2.662 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC(=O)N2CCCCCC2)cc1 1521101406 BNODGPFGTVAQGJ-UHFFFAOYSA-N 493.612 2.613 30 10 JFEE COC(=O)[C@@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(OC)c(Cl)c1 1538897914 FWGJEBTWVARWID-FQEVSTJZSA-N 455.902 2.843 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)COC 1539299002 CMXSLSMDJGSDEC-UHFFFAOYSA-N 456.616 2.682 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(OC)CCOC1 1539391960 KHBHTJYKRHALAP-DEOSSOPVSA-N 483.569 2.854 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2OCC)CC1 1539469251 PVQWCVNRVUAXAG-HHHXNRCGSA-N 495.624 2.732 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1539650826 WFVKIOQQVQFMMP-MRXNPFEDSA-N 458.588 2.896 30 10 JFEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539743157 XGLPZKHOXQKRHH-KRWDZBQOSA-N 458.588 2.537 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540917723 CNYSVGPRTIHKHE-UHFFFAOYSA-N 455.632 2.909 30 10 JFEE C=CCN1CCC(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1542974919 HYNIGRGCLVJSQV-XMMPIXPASA-N 453.608 2.877 30 10 JFEE C=CCO[C@H]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1546131904 PGTLHYJLXNONRV-OALUTQOASA-N 456.568 2.526 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN(C)Cc2ccccc2)CCOC1 1547891464 CMQSJMRQECVMHW-DNQXCXABSA-N 456.566 2.894 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1552645435 BIFSKQHMEJWZNI-FQEVSTJZSA-N 479.585 2.789 30 10 JFEE C#CCN(C(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1)[C@@H]1CCS(=O)(=O)C1 1564742409 CCLVDNCHDDAWRG-GOSISDBHSA-N 458.536 2.828 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cccn(CC)c1=O 1587554940 AWQKMVSWBQSTNV-INIZCTEOSA-N 452.946 2.549 30 10 JFEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1587755276 WSJOFFAGJSMNGW-SFHVURJKSA-N 477.569 2.710 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnn(CCOC)c1 1587932452 UOWMCSVFOGGRHD-UHFFFAOYSA-N 459.348 2.677 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588059554 QFULVVHGEODXJN-QKNQBKEWSA-N 474.602 2.840 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588070338 YZSUCSKBEHCSDK-FSSWDIPSSA-N 486.638 2.773 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCn1ccnc1C 1588124379 KFNMACZQZKBVGG-UHFFFAOYSA-N 454.538 2.514 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OCC(F)(F)F)CC1 1588811451 JLNUYDYQFYZGNE-SFHVURJKSA-N 464.492 2.659 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1589150207 CTXAQEJRBPOGCE-MGPUTAFESA-N 480.432 2.886 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(=O)(=O)CC 1589259305 KVUYBNWXFMZVHK-JBYIUTFZSA-N 451.637 2.518 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CCN1CCOC(C)(C)C1 1593660292 JERQYYSSCYXEON-UHFFFAOYSA-N 481.689 2.766 30 10 JFEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1594798049 NLUCVHBFWRKCGS-QGZVFWFLSA-N 496.381 2.781 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1595776604 BWHCQZVTRHHHMO-SFHVURJKSA-N 483.516 2.965 30 10 JFEE C=CCSCCn1c(N2CCO[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595906084 XZODYASGDHQGRH-KSZLIROESA-N 467.636 2.820 30 10 JFEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1614025006 BNBTZCKQMVDXJF-UHFFFAOYSA-N 472.597 2.964 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1614908532 BUWSFBNREJNZFC-RPWUZVMVSA-N 493.656 2.916 30 10 JFEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1618126160 HJSOCMDFLDSTTD-MJGOQNOKSA-N 464.492 2.553 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)C1 1618879440 ADEOQPKDHVMGOE-IBGZPJMESA-N 484.626 2.555 30 10 JFEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C(C)(C)C 1619006499 GBNJBHBZKFSUGY-AZUAARDMSA-N 454.575 2.882 30 10 JFEE CSC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1620186128 HRPUFBBWLLTBIQ-SFHVURJKSA-N 474.656 2.520 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 1670882137 DHNCLCBFYLYLFS-XZOQPEGZSA-N 457.596 2.563 30 10 JFEE C#C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)c1ccc(F)cc1 1683670730 PPJONYGHJLJLIM-WCIQWLHISA-N 472.517 2.724 30 10 JFEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1689887044 NLIOTIITFUIDKY-LJQANCHMSA-N 475.597 2.960 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689973890 UQDHPONHZIZBLQ-GOSISDBHSA-N 459.616 2.506 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689980751 WRZDWXDMIDWADI-TYPHKJRUSA-N 489.617 2.668 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1OC 1690101123 OUTBBIIOUPNWHV-RXVVDRJESA-N 464.570 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cnn(C)c2C)CC1 1690139256 FOAUFZZFFZJUEV-UHFFFAOYSA-N 451.962 2.655 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@@H]2CCOC2)CC1 1690140142 NIYBCWPUXWBNQK-QGZVFWFLSA-N 471.989 3.000 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOc2ccc(C)cc2)CC1 1690145996 CMYXEGZTZXKZSX-NRFANRHFSA-N 451.571 2.525 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690193239 JCEVEBQNAWKKPU-YZZKKUAISA-N 475.590 2.831 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690236592 OVNAXTYCSFUMBM-MKXGPGLRSA-N 469.652 2.653 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690247888 HQHXDJWJAJWKFT-CBQOVEMMSA-N 454.575 2.960 30 10 JFEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCS(C)(=O)=O 1690287511 FVEMOQLQNHUATA-KRWDZBQOSA-N 455.625 2.840 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690306654 ZZZNJJIECGZTIK-PMACEKPBSA-N 455.559 2.802 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690319251 HFBKAEOHTJGKBR-QGZVFWFLSA-N 499.431 2.836 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690466832 CJVQHDTUSXCVPL-MRXNPFEDSA-N 457.560 2.895 30 10 JFEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)COC)CC1 1690500513 XSYGAGYIBHVCKR-UHFFFAOYSA-N 496.381 2.734 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690631181 TUKQEACLKIQWEN-UHFFFAOYSA-N 486.349 2.853 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1690652391 HIUNUUCVOVCGHH-SFTDATJTSA-N 482.629 2.869 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1c(C)noc1C 1690668963 OWIINGHUKATVLR-UHFFFAOYSA-N 490.568 2.779 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOCC2(C)C)C1 1690711770 HYYFTDAYWJMOAB-IBGZPJMESA-N 459.566 2.888 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1690714230 HUDGMYWPBCOYPC-UYAOXDASSA-N 480.594 2.909 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCC[C@@H]1OC 1694347816 HTRPUXIFFKAXPD-FPOVZHCZSA-N 480.617 2.605 30 10 JFEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@H]1C 1695813363 GASCMYYMGVPGNH-MOPGFXCFSA-N 453.591 2.516 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705508694 RHXRJCSIAKVQBW-UHFFFAOYSA-N 463.586 2.958 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705561544 QXHUVPAEPKIJTI-UYAOXDASSA-N 470.595 2.945 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1705570672 SHIHHCZTHOCUHP-SFHVURJKSA-N 461.638 2.565 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(C)nn1C 1705603415 OSZUZRBFCNBYTI-KDURUIRLSA-N 451.575 2.602 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705727924 JBFOMXKCEGSLCI-QHCPKHFHSA-N 465.646 2.571 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1705830641 UTSBWQPKNFTSGB-TZIWHRDSSA-N 460.600 2.659 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1705838111 CPJQNNYUCBMSQA-CYBMUJFWSA-N 455.378 2.773 30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl)C1CC1 1705854031 HJJPGKWJTUBPND-YCRPNKLZSA-N 450.992 2.896 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCOCC1 1705863482 UZQIFSXMINSTIZ-UHFFFAOYSA-N 457.550 2.777 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705883521 LHNBNJRAWHMXHQ-BJLQDIEVSA-N 472.590 2.936 30 10 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C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1358959218 DYSQFYKZQYXHRT-IBGZPJMESA-N 467.595 2.671 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2C)CCOCC1 1359018254 JMWSSYYGMXZFAX-UHFFFAOYSA-N 453.587 2.559 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCS(=O)(=O)C1 1359023732 UIOBOFPJODQLHZ-SFHVURJKSA-N 469.567 2.511 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCCC[C@@H]2C)CC1 1359044861 QEGFAELJCPNKOT-JTHBVZDNSA-N 470.662 2.793 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CSCCS2)CC1 1359045731 RGGZQYZEOUNUQF-FQEVSTJZSA-N 473.643 2.822 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1cccc(OC)c1 1359063208 KLJOTSYAZYIOOJ-RUZDIDTESA-N 466.586 2.627 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359089057 AORJDJSOYDKPEC-SIKLNZKXSA-N 495.628 2.535 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCCNC2=O)CC1 1359090055 UDIPQTRVXGPYSZ-GHTZIAJQSA-N 487.649 2.562 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359131978 KIOCLCATVRLZII-BBRMVZONSA-N 457.453 2.755 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359187351 KKDGJYKOZRZILK-IAGOWNOFSA-N 456.595 2.660 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359209556 QVQZQGLMMWRHSU-UHFFFAOYSA-N 491.394 2.854 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359297416 PNGZLMVGUGJBSA-XDHUDOTRSA-N 452.559 2.659 30 10 JFEE C=CCNC(=O)Cn1c(N2C[C@@H](F)[C@@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359305331 ALTHSDQMQUMITE-YOSAUDMPSA-N 457.550 2.563 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359310144 NPOHXOYYLXQFSV-SFHVURJKSA-N 470.599 2.652 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCO2)C1 1359322322 TUXLMMNKTNPAOC-XUVXKRRUSA-N 475.590 2.713 30 10 JFEE C#CCN(C(=O)c1cc(C)c(Cl)cc1I)[C@@H]1CCS(=O)(=O)C1 1360054039 DEYNPBCGUIFJAK-LLVKDONJSA-N 451.713 2.516 30 10 JFEE C#CCN1CCCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 1444356678 OYVOMTIJNVXFSC-FQEVSTJZSA-N 457.575 2.523 30 10 JFEE Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OCC(F)(F)F)c1 1445603819 FWIBBRSXQJESKV-CQSZACIVSA-N 455.458 2.791 30 10 JFEE C=CCN1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)C1=O 1459586752 ZDLKUSUYFYJJSP-JTSKRJEESA-N 453.564 2.685 30 10 JFEE C=CCNC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1463921881 GWCUGVRGUWGMMU-UHFFFAOYSA-N 459.524 2.958 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 1469762150 DNFASQZMDXMILM-DYXWJJEUSA-N 467.570 2.952 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1474893609 GGKKGAGPYKTKLT-UHFFFAOYSA-N 452.305 2.936 30 10 JFEE COc1cc(CN2CC[C@H](NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)C2)cc(OC)c1 1478157340 BDQPKKCKIPMRFH-XUZZJYLKSA-N 450.539 2.933 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nccs2)c1 1507549823 PXOUVSXJLQRAQH-DEOSSOPVSA-N 480.594 2.880 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(F)ccc12 1507669930 VKDRBSCRNFTSEG-SFHVURJKSA-N 453.543 2.506 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1507803030 ASIGLBKQRXLCIR-BLRYILKCSA-N 486.661 2.903 30 10 JFEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1507903879 IAKOZFXIZDPNFQ-UHFFFAOYSA-N 468.549 2.963 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1508014568 VOGHGSNZALCAJN-LEWJYISDSA-N 451.575 2.680 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2ccccn2)CC1 1508078470 BDZYOQXGGJQZFP-UHFFFAOYSA-N 482.386 2.731 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2ccc(O)cc2)nnc1[C@]1(OC(C)C)CCOC1 1508097655 JHXQNDQAFNOGRZ-YKSBVNFPSA-N 455.559 2.668 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1508125959 JSHFZBFOIIJCEV-OAQYLSRUSA-N 464.545 2.923 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1508133356 HOISEBWHAXDLPC-LJQANCHMSA-N 455.588 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCCN(c2ncccc2F)CC1 1508144675 RRTXKSGYNIIKCU-UHFFFAOYSA-N 490.630 2.782 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC(C)(C)C1 1508145510 MOLAIYUUBKMUPP-LJQANCHMSA-N 476.599 2.785 30 10 JFEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C)C1 1508152362 LLNZDKSUZJOLGA-HNNXBMFYSA-N 450.634 2.691 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCCS1(=O)=O 1508409505 BWCZDWKEEMKYCH-FUHWJXTLSA-N 453.572 2.898 30 10 JFEE CSc1cccc(F)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1520096360 DJTKOORFPJRQPQ-CQSZACIVSA-N 466.608 2.928 30 10 JFEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)C2)nc1 1534509417 FHTYPNISQUGZLC-GOSISDBHSA-N 458.515 2.560 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 1539076794 YHZGZRVOEYHOND-INIZCTEOSA-N 453.561 2.581 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1539094405 PLEPXHLNBHLXGL-OALUTQOASA-N 484.626 2.550 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539212288 UAZYYGFDUAGKCO-GOSISDBHSA-N 490.029 2.628 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1539226223 VSZGLYANKPXXPH-GOSISDBHSA-N 490.680 2.577 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N(C)Cc1ccccc1 1539538719 MDPMKXCAJYAABK-YOSAUDMPSA-N 472.659 2.791 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1539573750 CQKKARBTXQPUTO-UHFFFAOYSA-N 479.379 2.661 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCS(C)(=O)=O 1539624217 QXRJZLAAKVNLLK-AEFFLSMTSA-N 453.996 2.846 30 10 JFEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCS(C)(=O)=O)CC1 1539847230 BRIZDQLLDPELJG-UHFFFAOYSA-N 473.647 2.823 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1540019499 JIUWVVWXIOGSGU-NRFANRHFSA-N 454.575 2.845 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1540120775 VQOZDRKKBPGWSN-HYBUGGRVSA-N 470.643 2.868 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncn(C)n1 1540140357 OKLUYBJWTGQOHK-UHFFFAOYSA-N 469.596 2.780 30 10 JFEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCS(=O)(=O)C1 1540853148 OOBWIGBWDIPQCW-IBGZPJMESA-N 457.600 2.745 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1540853547 YXTNHCGDWYIFMM-UHFFFAOYSA-N 486.989 2.754 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)CCC)cc2)C1 1540893089 WPTZDFFHNUEDBD-FPOVZHCZSA-N 487.626 2.748 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1540900789 IIFBSROJRIGSTH-HXUWFJFHSA-N 457.531 2.658 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1540917580 ZXBGHGRYUMQQAT-ZWKOTPCHSA-N 499.703 2.841 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)CC1 1541703954 DUNRXUAAXJIWSW-UHFFFAOYSA-N 486.624 2.836 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc(C)cc1 1548369450 FEHAAKUFEFTNOZ-IBGZPJMESA-N 466.485 2.511 30 10 JFEE C#Cc1cccc(CNC(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)c1 1564722191 MCRLMWZOZVWPFL-UHFFFAOYSA-N 450.358 2.517 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CCN(C(=O)c3ccccn3)CC2)nnc1-c1ccco1 1583538224 CIQOSHLCIDGOIG-UHFFFAOYSA-N 452.540 2.586 30 10 JFEE C#C[C@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)c1ccc(Br)cc1 1584708267 NIRBCQWMBAIIGN-SFHVURJKSA-N 459.344 2.513 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1587633905 YYHXDMOLGIFEKN-IPMKNSEASA-N 479.647 2.818 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1Br 1587809071 YMSCJQDXTOJYKI-AWEZNQCLSA-N 454.394 2.701 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588055762 ZAOSCDSLJLILIB-MSOLQXFVSA-N 482.528 2.670 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588058685 AJIFZFUFPUTZMW-OAQYLSRUSA-N 487.645 2.899 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588058879 DWFNGWCWKUJVEV-OALUTQOASA-N 491.608 2.648 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1588060044 YKNGGBLGEHGZNM-IBGZPJMESA-N 493.420 2.699 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588069499 PIRAPALKPALRLF-IBGZPJMESA-N 460.600 2.607 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1588073791 DZIODXTVLDZCOC-ZWKOTPCHSA-N 477.656 2.753 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1588180381 DJZDKJSDVMWKIE-GOSISDBHSA-N 458.559 2.845 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)c1cccs1 1588645737 BXENHGFUJSQHHX-CVDCTZTESA-N 454.552 2.846 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1594819484 FIJKYLIWVYYJIL-INIZCTEOSA-N 454.543 2.753 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCOCC1 1595099872 KGICJVOSQDLRHC-UHFFFAOYSA-N 477.594 2.557 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1595905080 CLMMKEBHRSBTOR-ZCNNSNEGSA-N 461.636 2.971 30 10 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481.644 2.607 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1)C1CC1 1749510367 FNUPCHMWNZDRCL-UHFFFAOYSA-N 457.600 2.906 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(NC(C)=O)nc1 1749564317 UOEKKDRFOGKJKO-UHFFFAOYSA-N 466.567 2.929 30 10 JFEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749608243 VLVVEQDMEQQCRC-SFHVURJKSA-N 456.572 2.551 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749641109 XJBDCADCIQXWDZ-HNNXBMFYSA-N 484.420 2.571 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1749689993 PTPLTYWCBCYMJZ-FQEVSTJZSA-N 463.586 2.845 30 10 JFEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749690610 ZDBOEWGLDOUNNR-QFIPXVFZSA-N 466.630 2.833 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2CCOc3ccccc32)C1 1749697637 LURVZERVJYUQJW-CEXWTWQISA-N 475.615 2.626 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)N2CCOCC2)C1 1749721528 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2.897 30 10 JFEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870507861 AYNYISQJRPQWEP-UHFFFAOYSA-N 487.604 2.789 30 10 JFEE C=CCn1cc(OCC(=O)Nc2cccc3ccccc23)c(=O)cc1CN1CCC(C(N)=O)CC1 1870701218 XBBUKDGZHFCLGE-UHFFFAOYSA-N 474.561 2.902 30 10 JFEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588210 VMZLBHUMSHSDIQ-UHFFFAOYSA-N 456.554 2.873 30 10 JFEE COC(=O)c1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1874198200 RSAAILIOVPSDEW-MJDKSPQASA-N 495.561 2.560 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1O 1874211498 RFBITMDLRLZXLV-SZMVHAFZSA-N 465.535 2.647 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(N(C)C)cc1 1874431158 LNSVQJXWBIDYJX-BRJLIKDPSA-N 469.546 2.732 30 10 JFEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4nc(C)cc(N(C)C)n4)CC3)n[nH]2)c1C 1889985799 PUQQRDHUYVFXJS-UHFFFAOYSA-N 463.590 2.593 30 10 JFEE N#Cc1cccnc1OC1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1891264605 LSRMXOWBSRIAHQ-YADHBBJMSA-N 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476.622 2.798 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(F)c2)C1 1740973549 ZAAOYRBYKZALSI-VQIMIIECSA-N 465.595 2.787 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)C2CCCCC2)C1 1740984307 ZQNBTYOPBMVNDP-OAQYLSRUSA-N 455.607 2.712 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1740986472 YQZIJUANHHINOL-BWTSREIZSA-N 478.018 2.697 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 1741026130 CIKLEYXBWPRJLZ-IBGZPJMESA-N 475.519 2.760 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748814304 CWPJKOZAVBASPF-DVECYGJZSA-N 483.594 2.778 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1748817237 HBQJHQWFNIWGSE-SQNIBIBYSA-N 456.559 2.624 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CSCCS2)n1 1748971361 MYHTWJVNABLOJN-UXHICEINSA-N 476.672 2.851 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)s2)CC1 1748972802 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NTGWEKFBSYDFSO-LJQANCHMSA-N 498.031 2.909 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1760380489 DULADHLMRNDJBW-KRWDZBQOSA-N 475.981 2.759 30 10 JFEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760415285 TYRHYHMXEXNREL-FQEVSTJZSA-N 466.586 2.975 30 10 JFEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760415868 MZWGQGIFRTUGQH-FQEVSTJZSA-N 477.569 2.804 30 10 JFEE C=CCCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760430407 IJRQTRJPOCJMAZ-ZCNNSNEGSA-N 476.622 2.746 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1760440754 PODUSHKHOUXURE-FQEVSTJZSA-N 458.588 2.695 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCC2)C1 1760516716 UHFZDEJVNAMZIV-SFHVURJKSA-N 455.559 2.878 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1760518866 KLLWXXLCSICYRR-LEWJYISDSA-N 491.596 2.858 30 10 JFEE 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463.401 2.725 30 10 JFEE C=CCn1c(C(=O)NCCc2ccccc2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873592033 ZMIXBOSEEQFASF-UHFFFAOYSA-N 468.565 2.706 30 10 JFEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2cccc(C)c2C)ccc1O 1874431144 KXWCMSJKGUIHPS-OPEKNORGSA-N 482.566 2.858 30 10 JFEE Cc1ccc(C)c(N2C[C@H](C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)CC2=O)c1 1889569212 PAZTTYVCGWAZPX-RUZDIDTESA-N 494.680 2.693 30 10 JFEE C#C[C@H]1CC12CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)cc1)CC2 1891864276 JPGFAEHVROZARL-PXNSSMCTSA-N 459.568 2.670 30 10 JFEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CC(COc4cccnc4C#N)C3)cc2)c1 1891907807 ROAQYFKQZMJBDL-UHFFFAOYSA-N 492.557 2.591 30 10 JFEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3)CC2)c1 1892321380 KPLAKNQUODAERH-NRFANRHFSA-N 458.971 2.714 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H](O)C(C)(C)C 2206615186 WHQIGYGBNQGCGR-DLBZAZTESA-N 463.384 2.620 30 10 JFEE Cc1cnc(N2CCN(CCCNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2241089610 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2283990701 INBVQTLPQZURAI-UHFFFAOYSA-N 454.336 2.681 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(CCC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2284015135 JHADWTWGMNYWFL-HSZRJFAPSA-N 461.368 2.783 30 10 JFEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2284017441 GXQFZOWVIMBSIW-NVXWUHKLSA-N 480.436 2.936 30 10 JFEE C[C@H](NC(=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]21)c1cscc1B1OC(C)(C)C(C)(C)O1 2284069296 OVEAIHCOBQWBEQ-MGHWNKPDSA-N 478.420 2.859 30 10 JFEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287018333 XXWSOFOHALAVST-SFHVURJKSA-N 457.380 2.852 30 10 JFEE Cc1cc(CNC(=O)[C@@H]2OCC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289462825 DPNMNIBYRGQNKQ-RBUKOAKNSA-N 460.380 2.593 30 10 JFEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 2296098728 IDLCZXXLGJWCKL-LJQANCHMSA-N 486.550 2.812 30 10 JFEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1cccs1 2296923913 GGDQLAKRLJCMQP-LJQANCHMSA-N 457.508 2.800 30 10 JFEE COc1cccc([C@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296925664 UMIAMSDBLWWINZ-DEOSSOPVSA-N 490.560 2.795 30 10 JFEE CC(C)(C)OC(=O)NC1([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCCCC1 2318908236 OAALQAHBKLSCOT-MSOLQXFVSA-N 451.612 2.986 30 10 JFEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2326252045 PCXDLHRKPBNWOW-UHFFFAOYSA-N 470.511 2.666 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(Br)c(O)c(OC)c1 2330974603 VKBJUMIEGANBKW-LBPRGKRZSA-N 471.333 2.754 30 10 JFEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1cc(Br)ccc1O 2331236914 JIIHHZQEZWYBDI-UHFFFAOYSA-N 470.393 2.778 30 10 JFEE COCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2331612449 XXJRVATXSCZUFP-HNNXBMFYSA-N 485.566 2.999 30 10 JFEE COc1ccc(OC)c(C=CC(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)c1 2332197220 AVNWWOFIODMJNW-UHFFFAOYSA-N 465.466 2.834 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1)C(C)(C)O 2361643960 PSMGNTYMPGYJIJ-QGZVFWFLSA-N 480.436 2.596 30 10 JFEE Cc1cc(C(=O)NCCOC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2362203271 ZNXVMUYSFUVMPP-UHFFFAOYSA-N 460.380 2.660 30 10 JFEE C=CCn1c(=C2SC(=S)N(CC)C2=O)sc(=C2Sc3ccc(OC)cc3N2CC)c1=O 8434761 HMDQWZUEBXSPHJ-UHFFFAOYSA-N 491.685 2.791 30 10 JFEE CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1(C#N)CCCCC1 11244015 JPEODSREEDCHCR-UHFFFAOYSA-N 482.002 2.969 30 10 JFEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc(OC)c1OC 20827109 KKSXOZNFYUFYFF-FOKLQQMPSA-N 471.543 2.503 30 10 JFEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 21621333 YRYHZANDUACSNV-ZIAGYGMSSA-N 474.652 2.986 30 10 JFEE Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](/C(O)=N/c2ccc3c(c2)OCO3)C1 49694020 CEMDHTZVUXDXDG-HQPKTYMTSA-N 462.528 2.933 30 10 JFEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C)cc3Br)n[nH]2)cn1 59886772 NIMRTYSYPQHXAT-DNTJNYDQSA-N 493.391 2.895 30 10 JFEE C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 101269829 LPZARKKOIAETFS-SFTDATJTSA-N 465.531 2.859 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 102487802 WWOXSQCFGPLBSZ-FEYWKWKCSA-N 465.550 2.515 30 10 JFEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c1 102522922 BAXHHMSTJYIGPG-FEYWKWKCSA-N 482.533 2.848 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O 170425744 OLUWKZLNEWAYHU-HSZRJFAPSA-N 496.516 2.532 30 10 JFEE C=CCNC(=O)CN1CCN(c2c(C(=O)OCC)cnc3c(OC)cc(Cl)c(OC)c23)CC1 496633329 RTPTXSFPCUMLAF-UHFFFAOYSA-N 476.961 2.506 30 10 JFEE CCCOc1ccccc1/C=C/C(=O)[C@@H]1C[C@H](NC(=O)CN2C(=O)c3ccccc3C2=O)CCN1 585824282 NDUFAAYTBORRMR-FYYCGKGUSA-N 475.545 2.591 30 10 JFEE N#C[C@H](C(=O)CCNC(=O)C1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 726321133 FDOPVTAKYPJYKT-OAQYLSRUSA-N 488.610 2.595 30 10 JFEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCOC)C(=O)O 757206127 FKTCRPMZPOEYSK-GOTSBHOMSA-N 464.518 2.913 30 10 JFEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO[C@H](COC)C(=O)O 757454615 LJMURLBLODHTPV-NHCUHLMSSA-N 454.479 2.617 30 10 JFEE CCOc1ccc(C=NNc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1 1084032415 LOARYTYAVKDVHT-UHFFFAOYSA-N 456.528 2.829 30 10 JFEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1 1084332947 VKVWEFOLVYVDBF-UHFFFAOYSA-N 471.543 2.585 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)cc1 1125155417 FVAMVLLONCRBAN-UHFFFAOYSA-N 451.495 2.860 30 10 JFEE C=C(C)Cn1c(SCC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)nnc1-c1ccco1 1133394462 OJQBTEYEODNZEH-MQVJKMGUSA-N 450.586 2.678 30 10 JFEE C#C[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 1183259183 JAVNACKGFIUBKV-LBPRGKRZSA-N 452.916 2.918 30 10 JFEE C#C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 1211946327 XFUUXKLMMMOZOZ-FQEVSTJZSA-N 450.557 2.962 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cnn(CC(=O)NCCOC)c1 1219084419 LFPIIRBHDWYLRO-UHFFFAOYSA-N 452.309 2.617 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286322772 GOMMIWRFBBJBPU-RTBURBONSA-N 473.647 2.513 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286386419 ZPZHLFRSSQGZTK-YYWHXJBOSA-N 474.627 2.944 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286389223 ZKQOYZFPMZHHDT-SFHVURJKSA-N 480.009 2.850 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286394906 XVSHOOSWHZDOHB-FQEVSTJZSA-N 470.620 2.808 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(CC)C1CC1 1286413844 OGGDHTVTJZRPNK-HXUWFJFHSA-N 454.619 2.950 30 10 JFEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286483454 LFJQIGWYKIMXBF-VWLOTQADSA-N 464.658 2.565 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 1286484938 RDBUYDCTHKPRGS-UHFFFAOYSA-N 479.491 2.529 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Sc2ccccc2)CC1 1286485057 BUFPMDLSZATVSM-IBGZPJMESA-N 480.638 2.661 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1286485459 MJRMMBMOSZEUAX-HXUWFJFHSA-N 492.624 2.682 30 10 JFEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286612458 FJQPXLXKVBLSOE-QFIPXVFZSA-N 482.585 2.525 30 10 JFEE C=C(Cl)Cn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635123 KHFWTCYJCTXFDP-DEOSSOPVSA-N 489.020 2.832 30 10 JFEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286697836 UCHILNQYEMYBIA-UHFFFAOYSA-N 456.547 2.956 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1286762337 FIZJYEPRINRCCX-LJQANCHMSA-N 459.616 2.678 30 10 JFEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1286779173 PGHVOPQEPZMMHX-MDNUFGMLSA-N 469.630 2.945 30 10 JFEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1286785181 BMJJSPAKDXTTHE-UHFFFAOYSA-N 468.577 2.658 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286794089 WHDYWFFGHMULJR-CRAIPNDOSA-N 493.534 2.870 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286798851 MBMNHLSAAVXJPN-FUHWJXTLSA-N 486.516 2.561 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)n(C)c2=O)C1 1286804346 MUXBHHFXHMRGIL-GOSISDBHSA-N 487.402 2.883 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286820483 MCODZARCAOUWTO-RVKKMQEKSA-N 463.431 2.793 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1300333122 WMAMYXDDDBJTCR-KDURUIRLSA-N 450.587 2.711 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1300483799 NWKMRCKEULKWNG-IBGZPJMESA-N 469.567 2.704 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300496679 TUNIUNNQMRXGTO-SIKLNZKXSA-N 489.617 2.812 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300665742 PHAXQQRJDITHCA-GHTZIAJQSA-N 492.045 2.889 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1300703657 ODAZTXPWLCZFFI-BGYRXZFFSA-N 456.660 2.573 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCOc2cccc(OC)c2)CC1 1300719860 SXNDJGZATGHTIH-UHFFFAOYSA-N 474.565 2.784 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(Cn2cncn2)CC1 1300745128 GFJGNFLUZHREHZ-UHFFFAOYSA-N 467.599 2.837 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300894657 GBEIHPYBMJRETI-WEOSFHGISA-N 476.618 2.538 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1301149725 FDCJOCYTGUAMOR-INIZCTEOSA-N 451.575 2.613 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301237419 RKDPAEJEEWUNNS-UHFFFAOYSA-N 472.615 2.567 30 10 JFEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1301238289 GYXYNIXBZPRDRK-UXHICEINSA-N 457.600 2.894 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCO[C@@H](C)C1 1301298034 XPIRWVBUMJENDZ-PMACEKPBSA-N 478.638 2.710 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1301390634 LXHNOJDJGHIOLE-ZWKOTPCHSA-N 467.636 2.862 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1301497645 ZOSGQLNDFZGRAM-DEOSSOPVSA-N 466.973 2.788 30 10 JFEE C[C@H](CC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1302436906 HZCSZUZQNGWJGP-XSXHMXBXSA-N 465.934 2.943 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c1 1302600967 PMWDJHPKZMHXOK-UHFFFAOYSA-N 457.552 2.682 30 10 JFEE C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1303618912 BBJVOHCMMWKJOQ-QVKFZJNVSA-N 457.581 2.625 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1cc(Br)ccc1F 1303804988 BBYSVXFEXOYVPV-OLZOCXBDSA-N 487.399 2.771 30 10 JFEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)on1 1304900464 CJCJCAOXOCSYGY-UHFFFAOYSA-N 463.542 2.768 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1314740777 AQQDJVSRSNFVAM-HXUWFJFHSA-N 472.615 2.555 30 10 JFEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1316001990 GEEBTTQBEZSOIT-GOSISDBHSA-N 453.572 2.994 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1358958477 OZHSIETUBHGEBK-HXUWFJFHSA-N 459.616 2.595 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1358959995 UJLDNLYOVOSPDW-OAQYLSRUSA-N 480.638 2.852 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2OCCC2(C)C)CC1 1359035505 VVMIVXCIGKJQIT-RTWAWAEBSA-N 486.661 2.963 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1359037079 UTKUOCAPDPHGGW-UHFFFAOYSA-N 486.567 2.769 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC[S@@](=O)CC)CC1 1359042141 UAISFBMVDPBKSZ-UMSFTDKQSA-N 478.622 2.536 30 10 JFEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCNS(C)(=O)=O)CC1 1359162965 MBAGLUZFBARSDW-UHFFFAOYSA-N 454.394 2.803 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359226072 VRHCWUJAGGIQRX-RTBURBONSA-N 465.602 2.704 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1359277294 HTAYLFBHXRBGMY-SFHVURJKSA-N 470.599 2.518 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359334684 NWOZCIHGUBZJGY-SFHVURJKSA-N 478.619 2.696 30 10 JFEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1360602705 CMXKWKDMGDGPBO-FQEVSTJZSA-N 451.619 2.752 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCc2ccccn2)Cc2cccnc2)ccc1F 1436100846 DQPVUPPDORBNAV-UHFFFAOYSA-N 454.527 2.965 30 10 JFEE C=CC[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)c(Cl)c1 1459451205 GRQJMWCVOIUIKY-HNNXBMFYSA-N 451.310 2.991 30 10 JFEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1474349988 CEIBSIOULWPHBA-IBGZPJMESA-N 450.605 2.661 30 10 JFEE C=CCn1cc(CNC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)nn1 1476258890 UEBOGARYVFRVFK-UHFFFAOYSA-N 458.588 2.835 30 10 JFEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CCN1CCOC 1499680260 BZLRLHUEMXHRCG-DENIHFKCSA-N 451.619 2.846 30 10 JFEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCC(C)CC1 1504045866 DCMYSRBJFMXDRG-UHFFFAOYSA-N 466.586 2.707 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1507518637 MMLVQQJQPKEMBP-CJFMBICVSA-N 453.587 2.662 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC2CCOCC2)c1 1507547529 LXBINUZJGASTFR-UHFFFAOYSA-N 487.564 2.798 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507628854 IRZLKTIXUBASTQ-INIZCTEOSA-N 481.416 2.759 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)coc1C 1507642368 SYQDUVSLJKPCHQ-UHFFFAOYSA-N 450.568 2.878 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(N3CCSCC3)CCCC2)CC1 1507733872 NCWREZLSPPSALR-UHFFFAOYSA-N 458.676 2.729 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCN1CCOCC1 1507749820 YBMSXTZPQHZMAE-UHFFFAOYSA-N 450.008 2.742 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1507791248 JSFBBVHSYIKCQD-JYJNAYRXSA-N 497.394 2.995 30 10 JFEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1507984664 ZRLBXIVOTOYWQS-UYSNPLJNSA-N 465.542 2.602 30 10 JFEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1508047245 DLBCLADXFJDULD-KRWDZBQOSA-N 453.547 2.609 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1508080492 BXFUASORJAGZHY-UHFFFAOYSA-N 480.594 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1508137022 XFWUEBAJRQSOKK-SFHVURJKSA-N 476.006 2.941 30 10 JFEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1509753512 CXROBIFYPLOPPP-LJQANCHMSA-N 497.600 2.604 30 10 JFEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539049069 GPROPPTUAORLNK-SFHVURJKSA-N 462.522 2.977 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539102137 BBYMIZWIIMYJGI-UHFFFAOYSA-N 492.964 2.791 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539124550 GWRBURSJNDUDSH-ICSRJNTNSA-N 469.590 2.727 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539231319 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C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)NC2CCCCC2)CC1 1588872027 WAJNLDRHJHQDDW-UHFFFAOYSA-N 468.577 2.590 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589721826 DRLFEIJQQDHQSQ-UHFFFAOYSA-N 493.630 2.797 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1593746535 HWVJCNFAPHBOMW-IBGZPJMESA-N 475.594 2.549 30 10 JFEE Cc1ccccc1CN1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1595462150 GXKPLERDMRQOMJ-LJQANCHMSA-N 454.596 2.547 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1 1595759636 GWNQDCBVFFPTKP-ICSRJNTNSA-N 477.606 2.833 30 10 JFEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1596126248 CCDXCWOJLGQAMG-JOCHJYFZSA-N 477.569 2.683 30 10 JFEE C=CCn1c(SCC(=O)N(C)CC(C)(CO)CO)nnc1-c1ccc(Cl)cc1Cl 1598153388 DKJASYRSWLRGHI-UHFFFAOYSA-N 459.399 2.979 30 10 JFEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1608103761 GAERDDRYPWIEBQ-UHFFFAOYSA-N 456.351 2.589 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC1CCCCC1 1611302006 DIBBDMMDKXBAJB-QGZVFWFLSA-N 476.585 2.769 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1614348964 FSNCSZLKONECSO-BBTUJRGHSA-N 454.575 2.609 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C1 1614924164 CJAYLESDBLIHDU-RXFWQSSRSA-N 492.580 2.972 30 10 JFEE COc1ccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NC(=O)Nc3cccc(C#N)c3)n2)cc1 1616130592 ABBGHJJBHAIDHI-BXXSPATCSA-N 472.505 2.792 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CC1 1617363159 CNLSDHIVLNJLGD-UHFFFAOYSA-N 472.615 2.827 30 10 JFEE CC(=O)N(Cc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1)C1CC1 1618008814 GQMVXYOEVDNICC-HNNXBMFYSA-N 454.552 2.653 30 10 JFEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)cc21 1627742792 QPMDBTKGBUDLAU-UHFFFAOYSA-N 455.540 2.769 30 10 JFEE C[C@H](CC(=O)NCc1ccc(Br)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1628274358 IETKKYBHQAHFHV-LLVKDONJSA-N 454.321 2.722 30 10 JFEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 1628411965 IFBRBLBJYHDJMA-HNNXBMFYSA-N 455.561 2.876 30 10 JFEE C#CCOc1ccc(F)cc1NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1629090527 DQLSPYMFMSZMKU-UHFFFAOYSA-N 455.305 2.907 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 1631993617 CARWPCZKQQQKHI-OAHLLOKOSA-N 457.618 2.518 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)c2ccccc2Br)c1 1635147281 BOVLBWQCWPBVQJ-FQEVSTJZSA-N 450.354 2.884 30 10 JFEE C=CCN(C(=O)Cn1c(S)nc2ccccc2c1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1638617688 NXGKMEONNVAWQG-FQEVSTJZSA-N 451.548 2.874 30 10 JFEE CS(=O)(=O)Nc1cccc2c1CCN(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C2 1660953944 HDDFHRCQRNNAIQ-UHFFFAOYSA-N 459.471 2.696 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](Cn3ccccc3=O)c3ccccc3)C2=O)cc1 1672127701 GINPSIWYOBLEMX-DHIUTWEWSA-N 455.518 2.562 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1689906580 OOGDDYDPGJQTNX-FQEVSTJZSA-N 481.601 2.810 30 10 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C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722626387 LFASZCYZAZUGGQ-UHFFFAOYSA-N 452.534 2.864 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1722653881 FLGDDMNXPBWGOA-UHFFFAOYSA-N 484.564 2.980 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722693001 AURLGEOOZIKZLU-HXUWFJFHSA-N 499.593 2.732 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1722701940 BDJODCMMXGEBGX-IBGZPJMESA-N 475.553 2.501 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCOC2)C1 1723474705 BNIQNPFVZWGCPN-GMAHTHKFSA-N 468.602 2.558 30 10 JFEE CC[C@@H](c1ccccc1)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCS(C)(=O)=O 1727132993 FUVCXHFRHMRBHR-QFIPXVFZSA-N 493.637 2.848 30 10 JFEE CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1727291219 DHHDURJUAPLDTQ-LJQANCHMSA-N 487.626 2.651 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740620176 CAHKGGMUPAUKEL-OAQYLSRUSA-N 472.659 2.658 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628877 VTCLEQVHKPBKKK-PWRODBHTSA-N 464.632 2.742 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCN(C)C1 1740630176 GIYDDSWULWMSCY-DVECYGJZSA-N 455.990 2.828 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC(C)(C)C)c1 1740640692 UCSMBXWKOCLKJT-NRFANRHFSA-N 454.596 2.616 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cc(OC)ccc21 1740655603 DKIPXANFCIGSMQ-NHCUHLMSSA-N 466.607 2.772 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCO[C@@H]2C)n1 1740688593 XKAYLSLBMXVAHO-HOYKHHGWSA-N 484.988 2.621 30 10 JFEE C=C(Br)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C 1740748439 GKSXHNZUIGBPQD-QGZVFWFLSA-N 461.408 2.833 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740764375 WJWFTQVOCAFCFT-WXVUKLJWSA-N 453.587 2.720 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740806023 COJPMLOTHHQZGO-UHFFFAOYSA-N 483.381 2.991 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)CC1)C(C)C 1740926907 MMXPCNPVGOUENM-OAQYLSRUSA-N 490.612 2.619 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740948417 AHDPUIUUGZUZNU-MRXNPFEDSA-N 470.603 2.845 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740960843 CYLXHNHQHBPHFU-FQEVSTJZSA-N 481.004 2.720 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740989274 HKTHPEKLVWIWQM-GOSISDBHSA-N 492.045 2.942 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1740991945 IVGRLXYKVZNLCH-SJORKVTESA-N 451.618 2.532 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cc(F)cc(F)c1 1741930326 FVLCDUPORZGCEY-JLTOFOAXSA-N 452.531 2.539 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1748744693 GAIOPVFIKNMLNG-ROUUACIJSA-N 484.626 2.907 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNS(=O)(=O)CC 1748770475 BMLMGORLAWQZFR-MRXNPFEDSA-N 453.996 2.697 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748809769 WAKMQSPRJGLICL-FQEVSTJZSA-N 487.626 2.659 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748824093 ISFKHDPFTYHHKK-GOSISDBHSA-N 466.991 2.562 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](OC)C1CC1 1748887139 VCPHTUXJYJDPHX-JOCHJYFZSA-N 458.566 2.953 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1748986455 AHUYCUAJDVXZAD-UHFFFAOYSA-N 472.597 2.982 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnc(C)s2)CC1 1748990284 GPIQOLYVVJDLTO-IBGZPJMESA-N 485.658 2.961 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1748999373 SELYBBIMPNDSCN-NRFANRHFSA-N 454.594 2.872 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccsc1)N(C)C 1749095278 CSQDFLWUGURENP-RBUKOAKNSA-N 468.583 2.959 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1749343064 WJQFOGBBRLELCO-KEEVHDRGSA-N 462.641 2.509 30 10 JFEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1749464699 BYKYTIOGZNDIJG-PZJWPPBQSA-N 460.648 2.813 30 10 JFEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1749464700 BYKYTIOGZNDIJG-TZIWHRDSSA-N 460.648 2.813 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@@H]1C 1749544379 GDOHCPSXJGWGIU-SFHVURJKSA-N 467.599 2.900 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1749743900 BKFFJEHNKGPLHH-RDJZCZTQSA-N 479.628 2.878 30 10 JFEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1750990268 COKUHZDBGITWRK-UHFFFAOYSA-N 462.539 2.688 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760173372 SJWQQHIAYPGBST-UUOWRZLLSA-N 456.543 2.769 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760178554 RKOMKYGZIHOURR-HXUWFJFHSA-N 460.586 2.990 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(SC)CCN(C)CC1 1760179495 STAPVXGTFYDUBR-HDICACEKSA-N 462.664 2.946 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760180501 GNNGIRHPOFDYTD-PXNSSMCTSA-N 462.019 2.710 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 1760190696 UJXSPXNOPRZQJB-FQEVSTJZSA-N 484.651 2.713 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CCOCC)CCC1 1760200284 BERZKBWLTALZNQ-UHFFFAOYSA-N 458.566 2.862 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1760213280 XAYQNIUFPGTBDJ-AREMUKBSSA-N 495.649 2.633 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760220329 GFCOXSGBNCRRSE-UHFFFAOYSA-N 450.550 2.973 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760220800 SNLKLFWICOIUQC-UHFFFAOYSA-N 468.605 2.732 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](c1ccco1)N(C)C 1760249637 PJHYLSSQUFRQBE-XMSQKQJNSA-N 451.527 2.773 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCn2cc(C)cn2)CC1 1760253941 KXLDCEYZKGBPAR-NRFANRHFSA-N 463.586 2.777 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1760269492 JSLYFUXYOSTOIN-QFIPXVFZSA-N 495.624 2.984 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(O)(CC)CC)CC1 1760271244 RHVYZINBUMIVFY-UHFFFAOYSA-N 467.614 2.991 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760442194 JBTCILVTUBNSOW-UHFFFAOYSA-N 456.978 2.869 30 10 JFEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760450179 FWCNKDRUGQSDFW-QFIPXVFZSA-N 453.587 2.574 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 1760450735 QZUGPBSPWAKVSM-GOSISDBHSA-N 452.621 2.701 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1760503440 IVGJPEUUAKJUHC-HXUWFJFHSA-N 493.612 2.789 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760517668 UVCDQAOTZPKZDV-ZHRRBRCNSA-N 490.402 2.784 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1C(F)(F)F 1760552293 JPVGXEBROSJDKJ-UHFFFAOYSA-N 468.505 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760556293 YZJIBMRXVPZLNT-UHFFFAOYSA-N 465.023 2.912 30 10 JFEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1763043543 FNLHIRFJZRDMNT-JWPALKGDSA-N 496.660 2.980 30 10 JFEE CCC[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)OC 1763869356 AJQQPVSZEAZOSH-QMHKHESXSA-N 453.522 2.932 30 10 JFEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1764949420 FGMPJCWJOIFGRY-OALUTQOASA-N 464.492 2.553 30 10 JFEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1765945957 DZDSYQJIRXWRFG-OAQYLSRUSA-N 452.603 2.916 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)C1CCCC1 1766509934 CGUVMRPEXNNAHI-UHFFFAOYSA-N 458.588 2.533 30 10 JFEE COc1ccccc1Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](OC)C(C)C 1768927263 BVFDDJIBBWAMND-AUSIDOKSSA-N 490.612 2.925 30 10 JFEE COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 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CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)CN1CCCC1 1288152492 CVUMIHTWHSRIGU-UHFFFAOYSA-N 496.635 2.876 30 10 JFEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCN(c2ccncc2)CC1 1300441648 VNUAPGRQCJFFTE-UHFFFAOYSA-N 460.542 2.530 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300498389 JWJTVWFIXUIFQE-ZWKOTPCHSA-N 488.507 2.602 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1300503542 DMNUNQWSCCANNU-FQEVSTJZSA-N 474.627 2.652 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(C)CCOCC2)CC1 1300716874 UBYRISYHFZZYSD-UHFFFAOYSA-N 451.571 2.736 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1300869773 OORCSOMBULGJAL-DSKINZAPSA-N 472.615 2.772 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1300875964 PAXUTQXPYKMMLP-PGRDOPGGSA-N 455.559 2.612 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300891569 ZPERNOLDPDCKJY-WMZHIEFXSA-N 452.603 2.986 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1300974505 JOVXHAQKHAZJDQ-NQIIRXRSSA-N 477.631 2.649 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1301197190 PNENVIYTNWHEDN-OYRHEFFESA-N 466.634 2.886 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1)C1CC1 1301327810 YCZARUUSMYFDIC-IBGZPJMESA-N 495.646 2.566 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCS(=O)(=O)C1 1301413587 XOJMINNKJASIDW-QGZVFWFLSA-N 461.613 2.897 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301480694 DCQSLKYCVTWYIZ-MSOLQXFVSA-N 486.592 2.991 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)C(=O)C1 1301529899 SJBZECHDYOUGCB-UHFFFAOYSA-N 451.527 2.755 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1301557687 WDYHUCPDTSECQA-WOJBJXKFSA-N 480.535 2.698 30 10 JFEE CSC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1302515361 FPFDZZDPHPAGRP-HXUWFJFHSA-N 466.608 2.779 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CN4C(=O)c5ccccc5C4=O)CC3)cc2C1=O 1321835232 ZRNTXGNKPCMTTC-UHFFFAOYSA-N 457.486 2.617 30 10 JFEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1358909173 WISCJHYBOWGUHG-UHFFFAOYSA-N 465.533 2.945 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1358956402 FLXHDYFOGXSWSK-DLBZAZTESA-N 461.657 2.996 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1358962770 WRKYCPLRQFEOOT-JOCHJYFZSA-N 455.628 2.985 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358966746 VYEIDAJRTCZAEM-RBUKOAKNSA-N 494.564 2.525 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC(F)(F)F 1359023537 NISPRNKPEPZQRT-UHFFFAOYSA-N 450.421 2.606 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1359023793 WPZDHYSZVZRLPV-WOJBJXKFSA-N 478.597 2.824 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1359036175 PBZPIPLVUAGMRV-HXUWFJFHSA-N 463.504 2.664 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1359041795 IVTOYRLWEJZFSP-APWZRJJASA-N 454.506 2.957 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2F)CC1 1359042031 PBVDDILBVFFWLX-RUZDIDTESA-N 487.551 2.611 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1359045076 VXYBLABTHRTLJX-IRLDBZIGSA-N 456.635 2.606 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359048447 QXPLJIWILAJAMB-SFHVURJKSA-N 450.572 2.638 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCS(C)(=O)=O 1359050846 FCBJBTJCAHFFML-OAHLLOKOSA-N 452.671 2.979 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359052706 NWVDEUCRIYXKNZ-CTNGQTDRSA-N 485.654 2.876 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359057305 WSCIUJSGVDVLNU-UYAOXDASSA-N 455.632 2.822 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359078742 MGQHQILSHMCCPT-BEFAXECRSA-N 457.376 2.882 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COCCOC)C1 1359122393 PVKXRXDNTSNDSL-RBUKOAKNSA-N 465.595 2.652 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1359255631 FMTVILAAHWFRPX-GHTZIAJQSA-N 494.625 2.727 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359294310 PZWAHLAGVFDASF-FQEVSTJZSA-N 465.396 2.979 30 10 JFEE CC(C)CCN1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1359947845 FABQPCCTBPSTNO-FQEVSTJZSA-N 485.658 2.756 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)c1 1361123632 IFSGFCLGCXNDIW-IBGZPJMESA-N 454.575 2.744 30 10 JFEE C#C[C@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)c1ccc(Br)cc1 1436652333 YZQWTZLZAQPOCE-BBRMVZONSA-N 453.383 2.841 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)c2ccccc2OCC(=O)N(C)C)c1 1441727213 ORNOXMQKBVQEEY-NRFANRHFSA-N 456.564 2.832 30 10 JFEE C=CC[C@]1(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1454961908 RBMXSZBREVHEFY-XMMPIXPASA-N 456.543 2.700 30 10 JFEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)N1CCN(C(C)=O)CC1)C(C)C 1458987378 XVKHKTJPNYVSID-NRFANRHFSA-N 457.600 2.851 30 10 JFEE C=CCCn1cc(C(=O)N(CCN2CCOCC2)Cc2sccc2Br)nn1 1460643266 LIRUGACWCPGSKS-UHFFFAOYSA-N 454.394 2.653 30 10 JFEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(N4CCOC4=O)cc3)CC2)c1 1474915632 BKRKGSVIVNIUGD-UHFFFAOYSA-N 454.508 2.554 30 10 JFEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(CC)S(C)(=O)=O)CC2)o1 1498267757 HVKNJNYKRSWPSU-UHFFFAOYSA-N 497.625 2.974 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507543366 PKBPKNPDSGIAJY-ANNUQZOISA-N 499.369 2.604 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCC2)c1 1507551081 UZEVLOFPMVHGNT-SFHVURJKSA-N 487.651 2.522 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1507564518 RKFDISIMKSGZET-IBGZPJMESA-N 487.601 2.522 30 10 JFEE 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461.566 2.948 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(Cl)nc1 1539238585 ZXGZPTJJGZHICC-UHFFFAOYSA-N 467.986 2.716 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1539247007 VDQYYUBJWLEPSE-GOSISDBHSA-N 484.398 2.584 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(F)c1 1539311968 FAGQYMFYVNSWJL-UHFFFAOYSA-N 450.543 2.889 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1539453736 PRPZZZFCRGVICO-QHCPKHFHSA-N 485.702 2.526 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](OC)C2CC2)CC1 1539460198 ZUTYVEGPJYPJKO-HXUWFJFHSA-N 474.403 2.800 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)N(C)C2CC2)CC1 1539469850 GZVDYOSKQUCLJB-KRWDZBQOSA-N 486.567 2.995 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1539624548 UHKLUQJLEZPGPF-LQWHRVPQSA-N 455.559 2.645 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539688883 UIPXGIQOADCNHQ-UHFFFAOYSA-N 469.496 2.943 30 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LRSDBUNABRAFFD-KRWDZBQOSA-N 451.531 2.569 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCNC(=O)CC1 1540899671 XDFCTTYLJPOQFJ-UHFFFAOYSA-N 489.598 2.740 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)C)CC1 1540916779 GOVVXCIBCYSSFZ-UHFFFAOYSA-N 456.664 2.902 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1540916904 JLGIEYIUXLBYTL-KRWDZBQOSA-N 465.620 2.565 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](C)N1CCOCC1 1545535236 COGVHEOCCMWZPS-RTBURBONSA-N 455.582 2.850 30 10 JFEE Cc1nc(NC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)sc1SCC#N 1546286380 CFQYQFDEFGPQIM-CYBMUJFWSA-N 453.590 2.912 30 10 JFEE CCc1cnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)s1 1546326051 BCSAWMVVAACZKR-OAHLLOKOSA-N 473.628 2.658 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OCC(F)(F)F)cc2)CCOC1 1547918619 GCFCJJRQBBKUNP-RXVVDRJESA-N 481.475 2.648 30 10 JFEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCc1c(C)noc1C 1548369145 CKYZFDCHXLEEMD-LJQANCHMSA-N 463.460 2.578 30 10 JFEE N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)cc1 1564377550 DOSQGWJQMMROQI-SFHVURJKSA-N 455.921 2.983 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 1587447839 QBJNUZJFBWXTOU-QFIPXVFZSA-N 458.603 2.630 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1587712612 XSMWCPPVBILXIZ-INIZCTEOSA-N 497.463 2.947 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588045722 PKRIMNKZKKEWTF-NRFANRHFSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588045727 PMVXEYLMTAKIIN-VQIMIIECSA-N 466.592 2.704 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1588065099 UKGZFWZEXRGTGJ-KRWDZBQOSA-N 451.593 2.543 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588069339 LYOOYIMHNCESBN-RBBKRZOGSA-N 486.638 2.916 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588069677 SJIFEBATKYHKEC-FCHUYYIVSA-N 496.637 2.542 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1588472024 BRSGWFLNHOSVHO-AREMUKBSSA-N 492.555 2.640 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCc1n[nH]c(C)n1 1588594125 FWPOLKNBGXPTRO-UHFFFAOYSA-N 450.366 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccsc2)N(C)C)CC1 1588947634 SAKICXJANIHUMU-JOCHJYFZSA-N 477.638 2.594 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1589150814 LSNZUMRPSDUXJA-RNODOKPDSA-N 496.424 2.883 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(N)=O)CC1 1589515558 OXYRBMSEYBFDBN-UTKZUKDTSA-N 455.559 2.645 30 10 JFEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593630756 NMRYZQRAPMVOHA-SFHVURJKSA-N 496.678 2.829 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1(=O)=O 1595275641 JUCHRILACINDQE-OAHLLOKOSA-N 472.409 2.642 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(N2CCCCC2=O)CC1 1595777387 MAMPNRYTZWDEKN-UHFFFAOYSA-N 475.590 2.666 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](O)c3ccc(OCC)cc3)CC2)cc1 1625253318 OWVIYHWRUDXZGW-HSZRJFAPSA-N 456.564 2.583 30 10 JFEE C=CCOC[C@@H](NC(=O)c1cc(I)cc(C(F)(F)F)c1)C(=O)OC 1635159009 QIIXNHZSLMAQQR-GFCCVEGCSA-N 457.186 2.784 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)COc1ccccc1Br 1635490409 ASHADUJTOVEKEN-HOCLYGCPSA-N 455.349 2.612 30 10 JFEE C=CCn1c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nnc1-c1ccccn1 1652709793 LFAFTTIUVPECDQ-UHFFFAOYSA-N 456.616 2.770 30 10 JFEE CCN1CCN(C(=O)CC2CCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)CC1 1657316479 GGZQRFIUTHLXJM-HXUWFJFHSA-N 457.594 2.727 30 10 JFEE N#C[C@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CCN1Cc1ccccc1 1681342775 GZBGVNWMAMIBLJ-ZEQRLZLVSA-N 451.546 2.619 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1689916803 XMGPCUAOPYMUQJ-UHFFFAOYSA-N 480.613 2.510 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCO)Cc1ccccc1 1689924447 HMJGWYKSTKHYPO-UHFFFAOYSA-N 452.584 2.651 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1689926281 LSLVGIGAHIOIQQ-UHFFFAOYSA-N 461.570 2.537 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1689982726 SOICSRSDUYQVAW-WLMCBFPDSA-N 466.405 2.639 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689996910 QYTARPQGXKUKFX-GOTSBHOMSA-N 499.681 2.913 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN(C)CC(F)(F)F)CC1 1690112113 PUKNEJBDBQGPFH-KRWDZBQOSA-N 468.499 2.807 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C/C=C/c2ccccc2)CC1 1690137887 KVDPPPQTRMBKSE-HSDHKRTLSA-N 477.609 2.998 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCOC[C@@H]2C)CC1 1690152785 XROLJTMIFFIBHD-RBBKRZOGSA-N 495.624 2.894 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1Cc1cccs1 1690156452 XCDYKIQOVGDAQH-CVEARBPZSA-N 453.659 2.528 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2ccccc2[nH]1 1690264767 CMBQMBIZKHBYTF-HXUWFJFHSA-N 487.630 2.523 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1690266006 XSMMKNMYSOXQPI-QGZVFWFLSA-N 461.579 2.839 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1690284594 KHIPSECQCLJPIR-UHFFFAOYSA-N 463.586 2.994 30 10 JFEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1690508686 NDXPJOUIPKCNPI-IBGZPJMESA-N 457.550 2.866 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690663523 ZLMKIOSJONEGTJ-UHFFFAOYSA-N 495.447 2.766 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1690664368 QIQPXEWJNRZNQD-PZJWPPBQSA-N 496.656 2.912 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1690673689 AIOCNZPKEAKZBN-UHFFFAOYSA-N 489.646 2.772 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1690680718 ZLJILPLWCGEOFD-HXUWFJFHSA-N 473.624 2.870 30 10 JFEE 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2.527 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(CC)C[C@H]1COc2ccccc2O1 1705689976 GKPRWHGCELIXBK-INIZCTEOSA-N 476.375 2.975 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705697884 YCGITYNCHSXDFX-DENIHFKCSA-N 489.642 2.795 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705702191 LEXRRJJSWVURBU-UXSWERMXSA-N 458.607 2.662 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705733438 SZAXDMIEYNZKOI-SFHVURJKSA-N 462.476 2.914 30 10 JFEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCC)CC1 1705801729 PNIAIJRHAWUTSS-UHFFFAOYSA-N 478.439 2.661 30 10 JFEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705814150 FBGYBBJSMJAVAQ-UHFFFAOYSA-N 450.543 2.831 30 10 JFEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705825856 FUMUHRICSWEIQL-CRAIPNDOSA-N 478.479 2.670 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1705878543 RYNHOBSWLQAUEZ-PKHCJMHPSA-N 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2.845 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760433224 CHEMAQMYTSYTMI-QFIPXVFZSA-N 486.686 2.920 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1)C1CC1 1760476734 FIADULYUVSFGDG-FQEVSTJZSA-N 463.579 2.538 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCOCC1 1760502226 SEVXPCAVDVIWOT-UHFFFAOYSA-N 451.365 2.888 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760551478 GSOJWDULIDWCQF-FUHWJXTLSA-N 460.556 2.532 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1760786025 DJJJVYRLRUSYQA-LJQANCHMSA-N 477.573 2.850 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccnc1-n1cccn1 1762260970 GLXOGEXIOYWXHR-UHFFFAOYSA-N 461.574 2.956 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 1765496849 BLSBDXRNLYODPB-IBGZPJMESA-N 475.645 2.830 30 10 JFEE CCN(CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1766880050 ACTFQXSLKPTIRP-HXUWFJFHSA-N 454.575 2.954 30 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C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690486333 FLZIHPWQHUVRSI-GOSISDBHSA-N 495.596 2.744 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H](C)CN1CCOCC1 1690559581 HHHHFWOFEBWOQF-OFNKIYASSA-N 450.587 2.815 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690727234 XRAJEVGLBJZBFO-HXUWFJFHSA-N 461.636 2.661 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690739885 BECSTIKHGSGSEK-UHFFFAOYSA-N 450.634 2.510 30 10 JFEE C=CCSCCn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690752603 MLZZWEUQGWDMHR-HSZRJFAPSA-N 459.616 2.882 30 10 JFEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC 1693956030 CPSRQFNQVBHUHS-OFNKIYASSA-N 479.629 2.622 30 10 JFEE CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)no1 1694581095 CAASDQRVXZXQFJ-UHFFFAOYSA-N 478.557 2.524 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1698293549 HHEMMZQJPQRYCF-KRWDZBQOSA-N 496.559 2.973 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2cccs2)CC1 1705494860 HIPBGSBFDBGICE-MJGOQNOKSA-N 461.657 2.612 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ncccc1Cl 1705551190 IOQBCJFHFCYAMC-QGZVFWFLSA-N 476.965 2.783 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705566287 MVNHBYDARGGZBA-UNMCSNQZSA-N 465.579 2.663 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OCC2CC2)nc1 1705576434 LEHIYCPMHUYHNZ-UHFFFAOYSA-N 475.574 2.654 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(NC(C)=O)c1 1705581574 FVKFFMJVARZMJS-UHFFFAOYSA-N 468.565 2.532 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705609628 KUKHDMUFLFRRPN-PZJWPPBQSA-N 457.600 2.617 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705617660 CVMNJVNFJAKCTB-SFHVURJKSA-N 455.456 2.719 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1705636534 NZQUXNMFONDHIH-LJQANCHMSA-N 474.028 2.519 30 10 JFEE 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C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccncc1 1722656979 MXXRCPOSVNHDHG-QFIPXVFZSA-N 462.579 2.882 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722682707 DGNXSLAFYINVKY-KNQAVFIVSA-N 468.602 2.746 30 10 JFEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1726670124 CORURIDVAASRHF-DXIQSLLYSA-N 495.628 2.887 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1)OC 1726858715 BLRODMOHXDBXEP-RCZSKKKRSA-N 466.586 2.991 30 10 JFEE CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1727165956 GBUBZGHQTABHCW-YADHBBJMSA-N 451.575 2.824 30 10 JFEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1727716638 AZWVRMBFKGPEFC-LEWJYISDSA-N 486.642 2.617 30 10 JFEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)CC1 1728180433 HQGWMOSSCDXUJK-UHFFFAOYSA-N 464.599 2.962 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1728899287 DIRYFQKRIAYQBB-DEOSSOPVSA-N 472.565 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490.649 2.710 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1540007231 ZOERRQNZJAHKGV-ICSRJNTNSA-N 494.687 2.522 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1540033987 SPSJTPFHTFJZHN-UHFFFAOYSA-N 453.591 2.947 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1540071776 NBWDGTRRULOLSP-MSOLQXFVSA-N 467.636 2.982 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1540073783 SYCODVUUSGSCLL-FKBYEOEOSA-N 489.642 2.710 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1540201525 WWPSOYVBKXOELT-HXUWFJFHSA-N 484.626 2.670 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1540869546 PPRKSMZDBQWRRX-UHFFFAOYSA-N 496.015 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1540904029 IRKBOOJGGDVOCP-UHFFFAOYSA-N 465.579 2.864 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540908328 FPZZUTSIOKOHIG-OALUTQOASA-N 491.683 2.853 30 10 JFEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1546637629 AEQNJGHOUKCMAB-YXTQBTIXSA-N 464.636 2.567 30 10 JFEE CCCS(=O)(=O)N1C[C@@H](C(=O)NC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375491 NNXHXHWFLPXHTF-SFHVURJKSA-N 472.533 2.581 30 10 JFEE CCn1nccc1C(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548380327 WIPRWVJZTFCVMU-LJQANCHMSA-N 474.487 2.780 30 10 JFEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1OC 1554824103 FAUHKCSWQFHEGQ-DNVCBOLYSA-N 482.507 2.821 30 10 JFEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@@H](F)C1 1555556361 ACLVUAVSZNKCRB-IAGOWNOFSA-N 453.522 2.697 30 10 JFEE C=CC[C@@H]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1557407857 SWAJRQVFBVTPJD-OAHLLOKOSA-N 457.390 2.898 30 10 JFEE COCCN(CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)Cc1ccc(C#N)cc1 1559522916 AQAIKTNKZWAMTA-UHFFFAOYSA-N 450.583 2.750 30 10 JFEE C=CCn1cc(C(=O)Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)nn1 1583245282 RQOKRZFGUYSWGD-UHFFFAOYSA-N 456.547 2.648 30 10 JFEE C=CC1(CC(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)CN(C(=O)OC(C)(C)C)C1 1587023172 XDQNAIRYUSUVBB-UHFFFAOYSA-N 451.589 2.545 30 10 JFEE C#CC[C@@]1(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCCN1C(=O)OC(C)(C)C 1587522877 XREPBJTVQSUABN-VWLOTQADSA-N 451.571 2.772 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1587580601 QXTZRZOGAAXVRR-IAGOWNOFSA-N 475.615 2.967 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOCC1(C)C 1587684155 UEHJYYODJSWJBE-GBESFXJTSA-N 460.623 2.618 30 10 JFEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1587921800 JQSNDEOCNDCABY-GOSISDBHSA-N 470.624 2.870 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnc(C)s2)CC1 1588968865 RYQJAJTYNNGDCO-UHFFFAOYSA-N 480.594 2.645 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCOC)CC1 1589069751 NMAYDLSUIFMINP-UHFFFAOYSA-N 492.690 2.527 30 10 JFEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1593923038 BOKXPMJHDRJPFA-FXAWDEMLSA-N 489.020 2.607 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595165748 LQHREKVLFXEQKA-OAQYLSRUSA-N 492.628 2.559 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2c(C)cccc12 1595303350 QZBLAZBTFHNDAN-LJQANCHMSA-N 457.600 2.851 30 10 JFEE CN(c1ccccc1)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1595350306 FVVJRFMEVSUGHP-JOCHJYFZSA-N 452.580 2.696 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C#N 1615345869 DTLFRDABJXZERF-SJORKVTESA-N 460.652 2.873 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1618904898 GCHUHSMETYMZRD-QZTJIDSGSA-N 468.558 2.821 30 10 JFEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1=O 1619927493 HKONJCWKZBLZIS-LJQANCHMSA-N 466.586 2.705 30 10 JFEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1620171476 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C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690661655 COBATOYSWLCOBO-UHFFFAOYSA-N 492.527 2.906 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690672729 BCDHTGQYRZMBQC-UHFFFAOYSA-N 458.994 2.566 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690673806 FMZORCMELWPLMO-GOSISDBHSA-N 479.585 2.756 30 10 JFEE CC(C)N1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](C)C2)CC1 1693828080 DMQDZJCKTPRYRM-LJQANCHMSA-N 470.643 2.906 30 10 JFEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1c(OC)cc(OC)cc1OC 1694733581 GPWCTTWDNKYAIY-UHFFFAOYSA-N 477.569 2.702 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1698487294 GQXAKLRYOMFJME-ZWKOTPCHSA-N 475.519 2.793 30 10 JFEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705515983 RKCLLVSSUAGZBZ-FGZHOGPDSA-N 456.635 2.846 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705538185 FKFFDWRZIUAXKS-HNNXBMFYSA-N 454.522 2.756 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](OC)c1ccc(F)cc1 1705585694 XXJSXZVXXKCBQN-IBGZPJMESA-N 451.527 2.869 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2OC(C)C)CC1 1705634640 DZRZOTLKFCLSOB-AREMUKBSSA-N 467.614 2.909 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1705643668 OJOMQTOUPOSFIB-HXUWFJFHSA-N 456.978 2.875 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(C)(C)O)CC1 1705651158 MFOXOFTVGLCGAS-UHFFFAOYSA-N 453.587 2.601 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705652410 YIINQWLWEHPXEY-HSZRJFAPSA-N 459.591 2.800 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705655709 PQVXRKKEIUOBPW-JOCHJYFZSA-N 473.002 2.779 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705656917 NFDGNCSGLVHQDG-FQEVSTJZSA-N 468.627 2.950 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCN(C)S(=O)(=O)CC 1705674952 BOAFTQCQPVZFMD-JOCHJYFZSA-N 465.570 2.811 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1705725837 UTWMCIBESYPCQA-OAQYLSRUSA-N 475.615 2.543 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1705740085 AZAJGLURDXVLHV-MSOLQXFVSA-N 464.611 2.761 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705746832 YWCPKULTXFVPPG-CQSZACIVSA-N 482.770 2.555 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1705765169 ATBPVZIVVKUYEN-UHFFFAOYSA-N 475.615 2.933 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1705785995 CUXKMGKTPTVVQG-QGZVFWFLSA-N 490.678 2.802 30 10 JFEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1705870137 NIBLKQFPVWQEOJ-OKZBNKHCSA-N 482.651 2.712 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCc2c(ccnc2O)C1 1705895810 SULGNEOVBXEQCQ-UHFFFAOYSA-N 469.343 2.673 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3ccccc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908560 SOYBDRYJZGEZEE-BGYRXZFFSA-N 466.586 2.914 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)c2ccccc2)C1 1705926527 GARGRMYRDOPNSG-FQEVSTJZSA-N 453.568 2.519 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC2CCCCC2)C1 1705929107 JWODRXXBUHHCNN-OAQYLSRUSA-N 455.607 2.760 30 10 JFEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CO)CC1 1705940972 UYDPYLDHFJPXHC-UHFFFAOYSA-N 464.661 2.675 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1705946323 FJSBFWPQWFWMJS-LJQANCHMSA-N 492.667 2.722 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1710731005 CDRBWWPHDKRHKO-HXUWFJFHSA-N 496.616 2.807 30 10 JFEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1711490956 BOAXERWRPCUWMF-UHFFFAOYSA-N 468.602 2.702 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722314864 RYDCPFYFPVCIRV-ZWKOTPCHSA-N 484.626 2.736 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCCCO2 1722354957 NBUNRDCNJLPLBC-LJQANCHMSA-N 483.569 2.866 30 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JJHILYDNHWKTML-FQEVSTJZSA-N 499.637 2.747 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)Oc1cccc(F)c1 1740657836 ZLTAJRVZHMOWAD-AZUAARDMSA-N 458.559 2.640 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](C)COC)CC1 1740706691 ZMVYSJLRNRTUQR-SFHVURJKSA-N 462.554 2.848 30 10 JFEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1740712103 XCUUJIOVYSJTMB-MRXNPFEDSA-N 496.406 2.554 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740758395 XEQLBUVGTQWIIY-FPOVZHCZSA-N 455.607 2.511 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740787605 HBNYLCDRLDWOQI-DEOSSOPVSA-N 490.626 2.716 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1740802517 ATUMECLKFHYVLN-UHFFFAOYSA-N 462.801 2.812 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1740917439 SHZYCCVSRPLRSI-UHFFFAOYSA-N 481.626 2.875 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1740977469 HDOCAOAJQHDSTA-QFIPXVFZSA-N 454.619 2.761 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNC(=O)C2CC2)C1 1740980251 NTFOVLZMTNGEHN-UXHICEINSA-N 488.633 2.700 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(N(C)C)CCOCC2)C1 1740982489 WFEGBLJPFNIWPT-OAQYLSRUSA-N 455.603 2.770 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1741301095 AETWTXKWZCMUSS-PXDATVDWSA-N 450.587 2.966 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1C(F)(F)F 1741924697 CUZDPZSMVJABGE-UGSOOPFHSA-N 474.484 2.592 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1746564451 AGHNCJQUDANIQJ-WOJBJXKFSA-N 481.557 2.618 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCCOC1 1748703512 RMIMXIRZHLVNPX-IBGZPJMESA-N 459.616 2.862 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1748808940 OOLRBBVWSFDHEK-GOSISDBHSA-N 492.026 2.876 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748809544 NDVYYCLYGWTUEI-SFHVURJKSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1748825035 VPTZGOGDTJSNDH-QWFCFKBJSA-N 491.683 2.945 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748859125 PYQVGEMWYLCSCV-YSFYHYPLSA-N 484.645 2.621 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1748983852 GOSPJCLWMBHZPT-HXUWFJFHSA-N 465.602 2.742 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)CC1 1748999757 FENVSVYZJNBPBC-JOCHJYFZSA-N 462.019 2.785 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC1 1749014272 GUGZLBNNMAZNCC-UHFFFAOYSA-N 492.668 2.713 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccsc2)CC1 1749019244 QMOLZONAOAGQKH-UHFFFAOYSA-N 465.579 2.941 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1749050336 ZMGALXMCILEFHA-WOJBJXKFSA-N 477.675 2.542 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749091717 FEVAMPXAWMJXIC-HNNXBMFYSA-N 471.363 2.694 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749222369 GJZUQBBJOOUOPU-UHFFFAOYSA-N 451.531 2.628 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749604377 OBIFOWCACFZJHQ-GOSISDBHSA-N 457.542 2.710 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 1749606456 YTEOAWOEDRMWSU-HNNXBMFYSA-N 458.588 2.948 30 10 JFEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1749642452 GOVVYQNFWWSBSS-VQTJNVASSA-N 470.593 2.999 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC)CCC 1749671215 ZXFNEFROZZXSTI-QGZVFWFLSA-N 450.584 2.515 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749682586 VXHHWILXIAPCCR-OTWHNJEPSA-N 474.606 2.515 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 1749706599 PYVLSNUOBKVHDW-CYBMUJFWSA-N 470.887 2.914 30 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484.022 2.783 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OCC)CC1 1286666130 CMSMBMGMHUYYRX-UHFFFAOYSA-N 465.562 2.802 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286700184 KOHLJQMWFIFHIA-QYZOEREBSA-N 474.606 2.800 30 10 JFEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286776593 LLAFNOBSBDNSIH-OAQYLSRUSA-N 481.645 2.932 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2nc(C)no2)CC1 1286783661 YCAUYCWGJHYJOJ-UHFFFAOYSA-N 471.949 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286815898 BSZCYKIHXPIBJD-HXUWFJFHSA-N 496.637 2.979 30 10 JFEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1295826951 GWRVRHYQUVRKIB-LJQANCHMSA-N 488.614 2.697 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CC1(N2CCOCC2)CC(OCC)C1 1300293067 ONEPGGHYFMRUBD-USEFPYCQSA-N 453.587 2.682 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1300411565 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C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1540912795 CQFWBUKJMWVUMS-QGZVFWFLSA-N 465.583 2.884 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1540925031 VNMIJEXNUYBMBO-PCCBWWKXSA-N 476.691 2.866 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)Oc1ccc(F)cc1 1541834885 GIXIMZUKRSCUTG-CVEARBPZSA-N 464.567 2.625 30 10 JFEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1541888663 HHRHSBQIKASORM-WMLDXEAASA-N 451.643 2.535 30 10 JFEE C=CCn1c(S)nnc1-c1sc(NC(=O)CCNC(=O)c2ccc(C)cc2O)nc1C 1542967551 ATEQOTOTFWQRSI-UHFFFAOYSA-N 458.569 2.957 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)OC 1545279302 IBEPUTQGWSWZBE-KFKAGJAMSA-N 460.966 2.651 30 10 JFEE COc1ccc(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(C)(C)O)cc1 1554979040 FPLZVJSGBUACJR-UHFFFAOYSA-N 477.569 2.620 30 10 JFEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1Br 1561575547 HIXFIGNRIQJZJA-QGZVFWFLSA-N 453.358 2.600 30 10 JFEE 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1649539515 ODJDIIIXQKLSOV-KJOQGJGQSA-N 451.615 2.953 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(CSc3cc(C)ccc3C)c2)CC1 1650845975 DBUVIJZCWJBXSH-UHFFFAOYSA-N 457.621 2.821 30 10 JFEE C#C[C@H](C)Nc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 1655402598 ZCWRNGJCCSAFRQ-AWEZNQCLSA-N 455.496 2.627 30 10 JFEE C=CCC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2)C(=O)OCC 1662024138 PCGZWHXFSVYXAZ-CQSZACIVSA-N 459.362 2.900 30 10 JFEE C=CCCS(=O)(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1664611854 LIAVEDHVRUHGAM-QGZVFWFLSA-N 453.609 2.552 30 10 JFEE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Nc3ccc(C#N)cc3I)[C@H]2C1 1664688457 GXLBKPBPCIQJOV-OFQRWUPVSA-N 452.296 2.931 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCN(C(C)C)CC1 1689826819 VFNUUJPSTQCCFC-GOSISDBHSA-N 473.021 2.555 30 10 JFEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1689878417 HKOSVSGMPLQADH-OAHLLOKOSA-N 461.339 2.864 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 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C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC)nc1 1286414994 HEAAZLRSVCKZHB-KDURUIRLSA-N 450.543 2.574 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCN(c3ccccc3OC)C2)CC1 1286486983 SHOKPWUVKHEPKB-FQEVSTJZSA-N 464.614 2.902 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286499099 DBGQYQSDOBZGLQ-UHFFFAOYSA-N 479.610 2.754 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286500542 YONUKLOVYKISOF-UHFFFAOYSA-N 470.599 2.670 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286510276 OBKDXOSGFIMAMR-HXUWFJFHSA-N 473.002 2.979 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1286540391 AIEQKRKCSFWEES-INIZCTEOSA-N 472.453 2.544 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(F)c1 1286599562 ARMNUHUKUOMIEL-VQIMIIECSA-N 451.568 2.962 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286667242 IKKJOCMJPJBBMV-VQIMIIECSA-N 458.559 2.925 30 10 JFEE 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COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccccn1 170353481 VJSJSEDEKSUMRE-OAQYLSRUSA-N 495.513 2.529 30 10 JFEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccnc2)c1 170356428 QCPKTVLDIRYMLC-OAQYLSRUSA-N 479.514 2.911 30 10 JFEE COc1cc([C@@H]2c3c(O)nc(N4CCCC[C@@H]4C)nc3NC(=O)[C@H]2C#N)cc(OC)c1OC 256033051 KYLBVZMYFUXMRM-JDFRZJQESA-N 453.499 2.811 30 10 JFEE O=C(O)[C@@H](CSCc1cc(=O)n2[nH]cnc2n1)/N=C(/O)OCC1c2ccccc2-c2ccccc21 328581896 WWTCQRKLMKMGGL-HXUWFJFHSA-N 491.529 2.847 30 10 JFEE N#Cc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)c(F)c1 609253304 CGDFMDDVEYVGEB-UHFFFAOYSA-N 473.512 2.700 30 10 JFEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2ccccc2Br)C1=O 726400027 HFUMYEIPDHVCKV-QGZVFWFLSA-N 489.395 2.858 30 10 JFEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668238 CPURBZSZGKBBAA-UHFFFAOYSA-N 462.534 2.992 30 10 JFEE COc1cccc(-n2c(=C(C#N)C(=O)c3ccccc3)sc(=Cc3cnn4ccccc34)c2=O)c1 729669691 BNBAEFAXFJFZMU-UHFFFAOYSA-N 478.533 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C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1286426391 UETOLGALCAVVMV-SFHVURJKSA-N 482.585 2.972 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)N1CCOCC1 1286437931 PCNJDVDSZCJBMF-MRXNPFEDSA-N 462.392 2.896 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1286491405 QMQGPOSGJRNESE-LJQANCHMSA-N 476.556 2.836 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1286495183 XJBVZEGXSFQACG-RBBKRZOGSA-N 455.628 2.957 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286605129 SGBOKTYMRJMGJZ-LJQANCHMSA-N 470.599 2.669 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(Cl)ccc2OC)CC1 1286663930 RNFADINCLBNSFY-HXUWFJFHSA-N 496.033 2.724 30 10 JFEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286703608 FCUQDTOKHQMURW-UHFFFAOYSA-N 464.570 2.770 30 10 JFEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286776616 MRDGQUHJAKOBAO-LJQANCHMSA-N 450.509 2.596 30 10 JFEE 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465.558 2.905 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359216136 PQRGTJRVXWVYJP-KZNAEPCWSA-N 467.636 2.886 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2ccnn2C)CC1 1359304376 WWBVVOAGXRLWLU-UHFFFAOYSA-N 463.586 2.894 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1359314742 HJGMRFMEEFSJLL-DYESRHJHSA-N 460.376 2.967 30 10 JFEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C2CC2)CC1 1359480665 AOAXWSGABYGVFI-ZWKOTPCHSA-N 470.643 2.949 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccco2)c1 1361026824 HWEXZQBMGDEXKA-HSZRJFAPSA-N 452.490 2.939 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2cc(Br)cs2)c1 1447649582 INPJKAKVLKTAOA-UHFFFAOYSA-N 459.387 2.610 30 10 JFEE C=CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)[C@@H](Cc1ccccc1)C(=O)OCC 1458995409 HXRVSOGJSIHEBV-NRFANRHFSA-N 458.518 2.989 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1 1472188655 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30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588068828 AELHNLOQNYTSFV-ICSRJNTNSA-N 497.646 2.700 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OCC(F)(F)F 1588078820 NDZODAUAADNXKG-UHFFFAOYSA-N 468.439 2.988 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C(C)C)N1CCOCC1 1588262084 CDUXHVVTPBXONI-JOCHJYFZSA-N 452.603 2.964 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1588310332 ZLWPQOIBFURINU-FQEVSTJZSA-N 477.613 2.542 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[S@](=O)CC)CC1 1588769633 VTPPVPKTSXUOCZ-MUUNZHRXSA-N 464.433 2.540 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2OCCC2(C)C)CC1 1588898794 CEUHUASXLJQMPI-GOSISDBHSA-N 489.418 2.817 30 10 JFEE C#CCSCCn1c(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 1589125268 ISGQBZKYLGIPSG-XLAORIBOSA-N 499.703 2.673 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](COC)C1 1589515070 KXIGFVKZMXMRAT-JUXOCIIHSA-N 458.559 2.795 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1594680323 RNEWKEZGZLESIH-UZLBHIALSA-N 465.595 2.944 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1594812817 KTSXGDMXLAQZMR-HBMCJLEFSA-N 490.649 2.852 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1595602522 MEHHSADMIOCHDJ-QKNQBKEWSA-N 470.622 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1595784463 GLKBAALTTHPFMZ-UHFFFAOYSA-N 496.637 2.715 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1595799313 YROBELTVKCRYJT-KRWDZBQOSA-N 451.637 2.525 30 10 JFEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1)OC 1613499679 BBMFSMPLQCABDT-HSZRJFAPSA-N 454.575 2.896 30 10 JFEE COc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)CC2)n1 1619069884 FGBTYVUMXLYVHS-UHFFFAOYSA-N 462.558 2.675 30 10 JFEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C[C@@H]1C 1619937306 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1690700579 UZWGTUZOYSSUTE-UXHICEINSA-N 477.606 2.794 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690718962 COAZZCMHDQCQNU-HNNXBMFYSA-N 464.897 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690720721 QXMZPBFFKUVPKC-UHFFFAOYSA-N 459.616 2.549 30 10 JFEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1690747304 YASGVTUIAUSXLO-IEBWSBKVSA-N 494.662 2.563 30 10 JFEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1nccs1 1692718940 APJIMXSVMQVOOX-HNNXBMFYSA-N 451.556 2.691 30 10 JFEE Cc1cnn([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCCC(=O)N(C)C)C2)c1 1693301998 HEJXMHUHYYDHKG-OAQYLSRUSA-N 476.585 2.944 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccnc1N1CCOCC1 1705486209 ZGJHBDSXYHDRTO-SFHVURJKSA-N 462.554 2.700 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1705563971 IOGGAUFCCKTSLX-AWEZNQCLSA-N 492.424 2.839 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCOC[C@H]1C 1705593524 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10 JFEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705944189 XKPNWRLEWNTQOE-UHFFFAOYSA-N 463.611 2.993 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1706878718 GJAURJASSFFNOF-KUHUBIRLSA-N 486.520 2.965 30 10 JFEE C[C@@H]1C[C@@H](C)CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1707974125 BNXDSDJLEHBBMI-WOJBJXKFSA-N 470.643 2.665 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1709819788 CVNWPYKUJQGEES-FQEVSTJZSA-N 466.586 2.776 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1709993000 CGPAYDFKJWJXFR-OAQYLSRUSA-N 478.601 2.506 30 10 JFEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1712143409 BIVBMTDYVMGDSH-RDJZCZTQSA-N 480.491 2.516 30 10 JFEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1722322544 UFTIQPVUYNXHMZ-UHFFFAOYSA-N 450.587 2.962 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1722333478 WEUXLOPFWAGYDM-FQEVSTJZSA-N 488.633 2.885 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1722337490 BQFLXDTVMKFKCI-MRXNPFEDSA-N 486.623 2.528 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722363875 CHOMVPKDULBAAD-OAQYLSRUSA-N 499.662 2.820 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccsc1 1722388880 AWFBTLFJSTTYRP-UHFFFAOYSA-N 467.620 2.963 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCCCS(C)(=O)=O)CC1 1722433878 FSUHUXADDXNEJG-UHFFFAOYSA-N 480.034 2.577 30 10 JFEE C#CCN1CCN(c2nnc(COCC)n2CC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 1722440891 GPEKYLWCMJAYBF-LADGPHEKSA-N 450.631 2.871 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccnc2OCC)CC1 1722442085 XWVYGEOVPFMVER-OYRHEFFESA-N 495.628 2.646 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1722475900 YRDZMNUFZNFIST-DNVFCKCGSA-N 495.715 2.567 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722479435 FPSYACDEWKRSHE-UHFFFAOYSA-N 499.391 2.670 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722480578 RNONYBQBPORQCH-CVEARBPZSA-N 453.385 2.713 30 10 JFEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722526671 ZMZJCQWDNYTHMR-KURKYZTESA-N 493.655 2.633 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722529689 ZKCWEQDJZDGQPR-ZWKOTPCHSA-N 481.594 2.620 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722581993 FTKIEDRUYGJCIY-GOSISDBHSA-N 480.679 2.720 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722693420 MSBKLPPXMUUWCL-UHFFFAOYSA-N 479.585 2.686 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1722701683 ZWARFDLBHYNMKY-UHFFFAOYSA-N 452.603 2.786 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H](Nc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703627 DOPWLMVPALDEQX-OFVILXPXSA-N 468.602 2.702 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722750728 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1740598449 QQTFKSZAUXEFGR-GMAHTHKFSA-N 453.587 2.889 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740617113 MCHROCLZMPAUFR-SFTDATJTSA-N 486.638 2.967 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740620770 XVXCTLRGHRKZBE-MRXNPFEDSA-N 480.432 2.863 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1740628021 MMLJICWFEIVWAD-FUHWJXTLSA-N 479.400 2.567 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1740704862 ZIVPNBAINNMEIG-RTWAWAEBSA-N 473.625 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(OC)OC)c2)CC1 1740707230 UWDDYSTUKUEHIK-UHFFFAOYSA-N 488.592 2.569 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740750137 MKBHNZKDOMMUPB-OTWHNJEPSA-N 476.622 2.843 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NCCOC)CC1 1740760417 PUCDMNDJPDBUSU-URXFXBBRSA-N 485.604 2.968 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740788270 QUVYNXQMVGRKEY-KNQAVFIVSA-N 487.576 2.978 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740835845 DHRCZBIJSCTICS-SFHVURJKSA-N 475.615 2.646 30 10 JFEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740880283 VODSFIMWAKUETC-DEOSSOPVSA-N 452.559 2.946 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1740930909 UDFKFPRBWDVIIB-INIZCTEOSA-N 454.556 2.740 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1740937076 AEHAEGOVEXOAAG-JOCHJYFZSA-N 456.591 2.512 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N1CCOCC1 1740938299 BSJVJHUUTKXVOI-UHFFFAOYSA-N 478.391 2.514 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CCS(C)(=O)=O)C1CC1 1740943761 JJWWBDVPEGSQTP-UHFFFAOYSA-N 455.378 2.916 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1740965137 DSDINBFCCKMARY-QKNQBKEWSA-N 474.650 2.632 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Br)C1 1740981538 PJURLSNAERSBNU-IAGOWNOFSA-N 481.416 2.772 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCOC2)C1 1740988949 UWYCCYMLVDJYEC-NRFANRHFSA-N 466.991 2.825 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740989843 ZANALNLFARECHB-IBGZPJMESA-N 459.616 2.677 30 10 JFEE C[C@@H]1CCC[C@]1(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1743029939 FXALBPPSKVTIIH-YWMUFLPLSA-N 476.375 2.899 30 10 JFEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N1CCCC1 1744136020 BRPCDNREWLDLPW-NRFANRHFSA-N 485.658 2.551 30 10 JFEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1746511147 CKWPWZMMBDEJOB-JIPXPUAJSA-N 492.672 2.585 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1748703081 IACNRDILJCWUKG-FQEVSTJZSA-N 495.653 2.801 30 10 JFEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1748703618 UUFPNNQJBIJFLU-AUSIDOKSSA-N 479.585 2.646 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1748760690 CQLFMAJHIGPSFK-RUZDIDTESA-N 480.657 2.810 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748815580 RMTALEHSQITNJL-UYAOXDASSA-N 483.569 2.882 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1748915604 ZIVFUNAMOFRHIU-XUTLUUPISA-N 499.369 2.702 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1748940658 PFTIQHJPUFUVPI-CTNGQTDRSA-N 490.649 2.788 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCOCC1 1749051861 OKZUKLNGUYJXQG-CJFMBICVSA-N 450.587 2.860 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1749170214 HQIDZNJHXPDTLR-UHFFFAOYSA-N 465.533 2.971 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1749229091 GNPMHANLLWYKIE-YFVAEKQCSA-N 478.590 2.878 30 10 JFEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1749380872 AWRBOTGDPJXNAU-RXVVDRJESA-N 488.658 2.695 30 10 JFEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749440025 PPIHNAHXVJXLBD-UHFFFAOYSA-N 488.021 2.525 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1749456267 AHIHIQMZBVUHNN-SFHVURJKSA-N 490.967 2.577 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1749533065 ZOKLULSHZLBJJS-NRFANRHFSA-N 468.627 2.729 30 10 JFEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1749668928 AUEOAOIYIJUFEL-UHFFFAOYSA-N 452.559 2.553 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1749683298 OTAVSAZAPBCWNB-GPXNEJASSA-N 478.597 2.635 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749767021 RIWKQFJTTQEICT-IAGOWNOFSA-N 453.609 2.779 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCCCC2)c1 1760125141 FYBMSWNIBIHQDP-MHZLTWQESA-N 494.640 2.862 30 10 JFEE 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C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(COC)C(=O)O 757292031 AFKCBZFFIFIQLS-OFVILXPXSA-N 450.491 2.523 30 10 JFEE C=CCC[C@@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC)C(=O)O 757313324 ZLLYLACHDZVZAI-YADHBBJMSA-N 480.517 2.992 30 10 JFEE C=CCC[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757432263 MPDCBOCYKXIBNK-PKTZIBPZSA-N 465.550 2.991 30 10 JFEE C#CC[C@H](NC(=O)C[C@H]1COCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757572556 ULWZDKRWIYUCLH-DPSWKAHMSA-N 476.529 2.913 30 10 JFEE CCC(C)=NNc1nc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1 1084315596 JVUMOOBCYDFNSG-UHFFFAOYSA-N 465.605 2.908 30 10 JFEE C=CCN(CCc1ccco1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1137857457 UEAWICZCBWTZRJ-NEWSRXKRSA-N 452.573 2.507 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1140472230 XKTXEBPOBJGMQY-RNJTYBCJSA-N 454.445 2.662 30 10 JFEE C#CC[C@@]1(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 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RPLLWMJQFXYSNI-SFHVURJKSA-N 472.565 2.697 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1286699996 JJCRHUDKPIDEGG-VQTJNVASSA-N 496.033 2.809 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1286707904 MBJKHPWHXGFPSK-UHFFFAOYSA-N 464.973 2.541 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCOCC1)C1CC1 1286734497 BIGWZYRIOLCMKN-QFIPXVFZSA-N 473.643 2.860 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1286824537 YAQISDKERQGNJI-YJBOKZPZSA-N 451.618 2.855 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1287082045 FGKIBZBWUIBNJE-UHFFFAOYSA-N 494.625 2.901 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1292760112 HJLQMIWIRZFSTM-UHFFFAOYSA-N 462.558 2.612 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1293850153 HZGTZFXNCBGFOJ-MHPIHPPYSA-N 466.586 2.753 30 10 JFEE CCOc1cc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 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1301050893 GUSGICWXUKAWID-UHFFFAOYSA-N 458.994 2.874 30 10 JFEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CCC1 1301124189 HSDIZUKPLPNEJQ-UHFFFAOYSA-N 469.565 2.570 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1301407050 ZTWYXSCRONIDAG-UHFFFAOYSA-N 486.594 2.722 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2Cl)C1 1301554917 PQKLIRCUDYCGAY-DLBZAZTESA-N 475.977 2.924 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301634267 GZFNEMWKHXGEPC-XTQSDGFTSA-N 497.987 2.572 30 10 JFEE C=CCc1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)cc(OC)c1OC 1309115832 XBZNYXXERSAEOU-UHFFFAOYSA-N 453.488 2.845 30 10 JFEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)ccn1 1314584268 CKHXYBUSOXXFNB-IBGZPJMESA-N 468.608 2.995 30 10 JFEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](c3cccc(Cl)c3)N3CCOCC3)CC2)o1 1352268636 CAFPPWAVWWNBMD-OAQYLSRUSA-N 457.962 2.914 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNc1ccccn1 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KGSGTJPXXOVPNZ-NRFANRHFSA-N 462.579 2.763 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1359270408 OFFQRHNGQLWMOJ-UHFFFAOYSA-N 471.565 2.909 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3ccnc3C)c(F)c2)C1 1359312392 UNMJNWRVGFXWPV-IBGZPJMESA-N 467.549 2.879 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)(C)C)CC1 1359328359 AWFWTXITPHKOES-UHFFFAOYSA-N 476.603 2.765 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1=O 1360031387 GBQUGOZBQBIRPL-RUZDIDTESA-N 478.553 2.534 30 10 JFEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1)C1CC1 1449781635 MIYQZVQNCFOHKQ-UHFFFAOYSA-N 459.480 2.651 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 1466064105 IFWYEOBOAVOOCS-YTQUADARSA-N 454.575 2.669 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1470007114 HKFYNRFVQYAIFN-KNQAVFIVSA-N 458.584 2.540 30 10 JFEE C#CCN(C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1)[C@@H]1CCS(=O)(=O)C1 1477520664 MQYFPAZYTYEXGS-OAQYLSRUSA-N 454.552 2.971 30 10 JFEE CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)s1 1478597916 GBWJYBLBWKALSI-KBPBESRZSA-N 459.551 2.606 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCC2CCOCC2)c1 1507552441 OVADGETUFOKHDF-URXFXBBRSA-N 481.597 2.875 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1507563227 DNVAVSCIHVBBLC-SFHVURJKSA-N 469.677 2.527 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507580372 BJZWKVSYJCIQKS-GOSISDBHSA-N 455.994 2.540 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507625421 ITIUXOBXONLKGM-MSOLQXFVSA-N 478.590 2.999 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1507629235 LKOXIXIFIUVYTR-SFHVURJKSA-N 483.619 2.746 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1507634754 PVZCNZSGBDFFJY-IBGZPJMESA-N 473.599 2.720 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cccc(C)n1 1507667486 NEYGUBPOGKJIPC-UHFFFAOYSA-N 465.561 2.991 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1507721268 MJYVWFRENSKGOT-PMACEKPBSA-N 453.587 2.923 30 10 JFEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1507743397 AOSFYDNMHSANRN-HKUYNNGSSA-N 453.678 2.989 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CCS(C)(=O)=O 1507804066 JTRBKPANELXWGS-KKSFZXQISA-N 468.570 2.999 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1507831952 IRTTZPGGCNOHDN-CYBMUJFWSA-N 470.498 2.723 30 10 JFEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1507954685 XQHQDLAXLOFVLM-IBGZPJMESA-N 475.638 2.527 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1508089060 AFTHGLFFYHUCMI-FQEVSTJZSA-N 469.977 2.673 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1508143480 LTLOHZJPKGYGEA-UHFFFAOYSA-N 491.580 2.507 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)C1=O 1535513771 QQHVIKNWRGSANV-UHFFFAOYSA-N 457.531 2.760 30 10 JFEE CCC(=O)N(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1537055677 DQVFSLAZHSJODF-UHFFFAOYSA-N 454.552 2.970 30 10 JFEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539097244 GVFYZOBXCLVMCN-KRWDZBQOSA-N 461.408 2.998 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539203796 VHEZNCOORZHTQS-NHTMILBNSA-N 499.681 2.800 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539231180 SOVXJAQNPAGEIQ-UWDQQESISA-N 470.639 2.631 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)C(=O)OC(C)(C)C 1539362224 SXBVCTPWOCTPAZ-UHFFFAOYSA-N 479.585 2.909 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccs1 1539415185 AEZPCWSBAIWOIT-GOSISDBHSA-N 461.588 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)COC)CC1 1539469617 SFNMUGOVQLMPRK-QZTJIDSGSA-N 457.550 2.806 30 10 JFEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1539504505 IMKMYVZDBAUCAK-UHFFFAOYSA-N 485.635 2.865 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1539539533 VLFJCVZKBLTOHH-XZDHIHRUSA-N 470.643 2.718 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539619257 DURVSPOYAFEUDR-SBJAYZTMSA-N 469.586 2.906 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539652329 QFQMWIIAPHFASS-KRWDZBQOSA-N 463.604 2.646 30 10 JFEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539709571 BZSQHXQPMXTCNI-UHFFFAOYSA-N 452.584 2.741 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540126175 GTDBJKGAWPKZOA-RBUKOAKNSA-N 478.519 2.685 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1540878887 LOSYECPFECLZKW-MRXNPFEDSA-N 452.584 2.914 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnn(C)c2)C1 1540885515 KKXVHBCLBGUMRS-SFHVURJKSA-N 454.531 2.534 30 10 JFEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540919623 TWZOUOLLEKICSS-UHFFFAOYSA-N 455.632 2.751 30 10 JFEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1543291387 HGYGTYRBBSRFCJ-UHFFFAOYSA-N 456.616 2.528 30 10 JFEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)CC1 1555204377 BGTSWJJVLASNAN-UHFFFAOYSA-N 466.586 2.994 30 10 JFEE N#CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C(N)=O)CCOCC2)CC1 1555990221 FQYLLJISKGQBAL-UHFFFAOYSA-N 491.365 2.869 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CSc3ccc(Br)cc32)cc1 1556469141 XQLINRBIOFYGJR-INIZCTEOSA-N 451.367 2.937 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)s1 1557050169 RYRKDHMCTRLIFT-CABCVRRESA-N 457.618 2.565 30 10 JFEE C#CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1586247430 WTUIUAWJAAIZKY-UHFFFAOYSA-N 450.516 2.813 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1587620534 HAYODMAXEBLJQH-OFNKIYASSA-N 491.640 2.880 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCC[C@@H](C)C2)c1 1587697652 WEMHXZOSHNRECN-NHCUHLMSSA-N 491.640 2.577 30 10 JFEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1587864797 BRPNXKUWBSBHCQ-UHFFFAOYSA-N 463.973 2.756 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1588046176 ZAWPINPJGUOYAL-RBUKOAKNSA-N 483.569 2.964 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1588054520 NXZZOUUJINFXPT-DLBZAZTESA-N 481.669 2.785 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 1589069342 KCESFUCDTDNLOR-SFHVURJKSA-N 477.631 2.570 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1589097563 SSHAHMJMGHKCFY-UHFFFAOYSA-N 470.624 2.992 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)CC 1589163171 ISIQSDYAKAVZQC-HSZRJFAPSA-N 452.584 2.733 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1589559463 RSQFDWZHQSBCIC-NWSQWKLXSA-N 498.628 2.975 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1 1589664343 YKDMLKLLKAKBIQ-PXNSSMCTSA-N 481.594 2.620 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Nc2cccnn2)CC1 1593763473 LSAQCUXFRAZANM-UHFFFAOYSA-N 451.579 2.603 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OC(F)F)CC1 1594097629 WVDLZOAPJUJERV-LJQANCHMSA-N 497.568 2.612 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1594760766 PLKVNPBVILKLBC-MRXNPFEDSA-N 470.603 2.810 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCOC1 1595283780 XJMGWNPEYIQSTH-HXUWFJFHSA-N 467.364 2.506 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(c2ccnn2C)CC1 1595595065 ROPQVYGQGLKGLE-UHFFFAOYSA-N 463.586 2.839 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1 1617334045 DLOJQUGEKJKAEN-OAQYLSRUSA-N 472.615 2.636 30 10 JFEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CCOC1 1619061672 DONVMBQVKILYTN-HTAPYJJXSA-N 494.518 2.607 30 10 JFEE CS(=O)(=O)NCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1620178429 GDFAQFPVBFBWNJ-UHFFFAOYSA-N 469.036 2.903 30 10 JFEE C#CC1(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)CCCC1 1625027786 YXNFYJYOPJODRV-UHFFFAOYSA-N 451.592 2.869 30 10 JFEE C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1631643817 DXXCCFVDGPDZAK-ZIAGYGMSSA-N 450.358 2.735 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1n[nH]c(-c2ccccc2F)n1 1641197263 AXVCLKJAZFAEHU-MRXNPFEDSA-N 456.503 2.847 30 10 JFEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(c4cccc(Cl)c4C)CC3)CC2)o1 1645625513 DCFZEXUUQXIDRX-UHFFFAOYSA-N 456.978 2.677 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1 1667321595 AXIZZTNLKYVXOR-IBGZPJMESA-N 450.605 2.600 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 1671510518 KFASRHWLMGQTGL-UHFFFAOYSA-N 453.517 2.627 30 10 JFEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)[C@H]1CCCO1 1671889445 GTPHCIZHXFPEBE-DHIUTWEWSA-N 459.612 2.931 30 10 JFEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1689919439 OEUGZRJTAXRKKI-UHFFFAOYSA-N 453.568 2.912 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1689975508 ZJWRSLDQSOVFDH-FQEVSTJZSA-N 476.581 2.994 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)c2cccs2)CC1 1690125409 GIGDALIKXBIUOP-HSZRJFAPSA-N 457.550 2.872 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1690130420 FYKPVAVJPCCQMX-AREMUKBSSA-N 451.615 2.986 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCC(F)F)CC1 1690142263 KWNDNXOKZUTUNM-UHFFFAOYSA-N 470.524 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2CCCCC2)CC1 1690144363 WFZBMZCLPOPTLA-NRFANRHFSA-N 456.635 2.750 30 10 JFEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C)C(=O)C1 1690181288 SRMKOBHSRWMDSK-UHFFFAOYSA-N 462.019 2.896 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690183384 WHFHKWZVNSSXEB-IBGZPJMESA-N 468.583 2.810 30 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C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1)C(F)(F)F 1692757577 AICYLEHRHUGFNL-MRXNPFEDSA-N 496.559 2.714 30 10 JFEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCS1 1694500073 CABVANHLWMOHTM-UHFFFAOYSA-N 454.600 2.788 30 10 JFEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1697123629 BXLZJNYSBOIYJF-KRWDZBQOSA-N 453.572 2.855 30 10 JFEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1698314959 ABXPGPBMUKOXJR-MRXNPFEDSA-N 464.542 2.628 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705563188 SEQRQJWKKNTMGQ-LJQANCHMSA-N 486.619 2.893 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705568460 NURMKJXLKITQEL-HXUWFJFHSA-N 498.628 2.883 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705601729 UFNGGWGQWAELGC-UHFFFAOYSA-N 479.581 2.922 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(=O)OC)CC1 1705614548 MWGNAPDKVXKTSR-IBGZPJMESA-N 490.605 2.524 30 10 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2.611 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1286794398 FPLZOZPYCBVQSP-UHFFFAOYSA-N 482.610 2.719 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCCC1 1286815045 KBLUDIKLUMUFAV-UHFFFAOYSA-N 466.629 2.576 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 1295737524 AHHMBELZTDQKEX-CVEARBPZSA-N 452.349 2.741 30 10 JFEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C 1295983267 HHYWXTUVAWWTIK-ZWKOTPCHSA-N 456.616 2.560 30 10 JFEE C=CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1 1297639477 ADOVWTHPTNXZLY-UHFFFAOYSA-N 453.358 2.999 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1 1297717735 AAFPDFOXXAUAQQ-UHFFFAOYSA-N 486.642 2.884 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1c(C)nn(C)c1C 1300386441 PAMWNNSSECLFOV-UHFFFAOYSA-N 468.631 2.947 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300563812 NGEDDNZUPCSFBN-IRLDBZIGSA-N 496.593 2.520 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCn1cc(Br)cn1 1300587546 WUDRIFJAHNOJCX-UHFFFAOYSA-N 452.360 2.776 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)cc1C(F)(F)F 1300651023 ZDQGTVDSHIEZNN-UHFFFAOYSA-N 465.476 2.676 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCSC2)CC1 1300690116 CAIZRNGNVTUQJJ-FQEVSTJZSA-N 452.411 2.875 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NC2CCCCC2)CC1 1300691054 VYFSXQBEWBDDOK-UHFFFAOYSA-N 458.969 2.942 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCN(c3ccccc3)CC2)CC1 1300712079 LQMRNXKUXQIWDS-HSZRJFAPSA-N 491.684 2.970 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1300728736 FASMITXCJFVYOQ-ISKFKSNPSA-N 495.672 2.947 30 10 JFEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1301018555 GERHSTVCYYBENI-KRWDZBQOSA-N 487.992 2.726 30 10 JFEE COCc1nc(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)cs1 1301208951 BQJSDHYESZFDCA-CYBMUJFWSA-N 450.528 2.841 30 10 JFEE 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1619537243 HOYOTHBRDUTSJN-KVSKMBFKSA-N 460.966 2.509 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1620348754 FLJFIUJPZRZTGA-ROUUACIJSA-N 475.519 2.793 30 10 JFEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 1627388345 GQWYNVNEWAMCSE-OAHLLOKOSA-N 458.540 2.888 30 10 JFEE C#CC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1637990375 QKOKYKIQRUEVOS-ZJCBTPCYSA-N 450.535 2.997 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](C)N3CCCCC3)nnc12 1638567748 ZRIZOPVSPGRUOY-QGZVFWFLSA-N 454.600 2.703 30 10 JFEE C#C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1640277210 XAHCBBQXEJXZCQ-GJZGRUSLSA-N 455.374 2.534 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)c1 1670055111 HULXWDHXWLYGDR-UHFFFAOYSA-N 451.589 2.918 30 10 JFEE COc1cccc([C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N2CCCC2)c1 1677130283 CQLRQQGQSGSJIJ-NRSPTQNISA-N 457.575 2.890 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCSC(F)(F)F)c1 1689870368 LRIYGUXKIBANCA-HNNXBMFYSA-N 466.489 2.538 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(S(C)(=O)=O)CCC2)c1 1689872334 VJOJDJCIUILILX-UHFFFAOYSA-N 457.600 2.500 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1689991298 ZLIPQYUVGCOOPP-MOPGFXCFSA-N 477.656 2.587 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC2(CCOCC2)C1 1690159524 DCNMIZPGBIZJGX-UHFFFAOYSA-N 488.610 2.723 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690180891 MFVSBHAZYGVJKA-DEOSSOPVSA-N 450.612 2.915 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690229228 QPHARXWCBDXIMP-GOSISDBHSA-N 478.439 2.753 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1690234767 NHKVILFECBXFDD-GOSISDBHSA-N 464.412 2.836 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690420551 OXDLTTQOYRDYLZ-MOPGFXCFSA-N 452.669 2.803 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCOCC2)C1)C(C)C 1690580969 IUAARRFJUYVGHX-QFIPXVFZSA-N 469.634 2.763 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690644563 SXHDWAXJUKBJJO-GOSISDBHSA-N 456.547 2.508 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690660268 CVBWEKSHPOWEMZ-QFIPXVFZSA-N 470.581 2.715 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)(C)C)CC1 1690723159 JZJQNYQCZFXXOG-UHFFFAOYSA-N 499.641 2.505 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(C)CC1 1696470426 BRCHETVYWBIYEF-UHFFFAOYSA-N 458.632 2.810 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705516460 BYTURGBYCWNZSU-LEWJYISDSA-N 499.616 2.701 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705523077 RRFRSFDVHJFTTL-UNMCSNQZSA-N 465.598 2.829 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ccc(Cl)cn1 1705553052 SJWAMHJSDPPKRL-UHFFFAOYSA-N 452.950 2.649 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705563812 GATKZSXBJUWYGW-LJQANCHMSA-N 472.611 2.930 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705565221 UFCICZFAWNRIAY-NLFFAJNJSA-N 486.638 2.912 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCn1cc(Cl)cn1 1705621086 QSUGDIYNRDRVDL-UHFFFAOYSA-N 455.925 2.730 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(CC(F)(F)F)C1 1705626467 XPEZEKHNATYIIQ-KRWDZBQOSA-N 451.493 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705651341 SVSPMXDOTBBKLO-WIOPSUGQSA-N 490.608 2.756 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1705652266 UFPLOEWRQJFQMJ-UHFFFAOYSA-N 483.548 2.897 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1705672852 JJWVVASETWKAIC-HOOSLVGPSA-N 456.591 2.663 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705702071 FBGUTGZTFDTDJE-ICSRJNTNSA-N 455.607 2.895 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705739429 GDCIBUMXRKGFRY-UHFFFAOYSA-N 464.570 2.723 30 10 JFEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705812199 STKOQWAJTWZLQO-OAQYLSRUSA-N 450.587 2.713 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1705877603 BHEOATFXFILDLX-NRFANRHFSA-N 459.554 2.866 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(O)(CC)CC)C1 1705917044 QLESPOYWCWVFHU-SFHVURJKSA-N 476.647 2.879 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C1 1705925135 LMYFZXSEQJOKHN-PMACEKPBSA-N 486.621 2.856 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 1705928470 FIROMXBMCAKPIU-RTBURBONSA-N 476.622 2.731 30 10 JFEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1706711042 HYBURRJUKNEVTA-RUZDIDTESA-N 468.602 2.845 30 10 JFEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1709441699 AHHQHYAGHISNAB-LAUBAEHRSA-N 464.492 2.873 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)C1CC1 1711073697 DUYCVNODHKNFMG-QHCPKHFHSA-N 450.568 2.939 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCN2CCN(CC)CC2)c1 1722308913 HVBCESPVIGDBOI-XMMPIXPASA-N 493.656 2.604 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1722326422 UDYLZNRYTUSGSV-UHFFFAOYSA-N 498.575 2.683 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1722358033 CSRYIVZBYDHYLJ-HRAATJIYSA-N 450.992 2.589 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(OC)CCCC2)CC1 1722432482 YHSCSOGBGWFFJA-UHFFFAOYSA-N 471.005 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2OCCC2(C)C)CC1 1722441138 LXGHLZAANDVBNY-QFIPXVFZSA-N 492.624 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1722445503 SFFBOKFZYAYDMP-BGYRXZFFSA-N 496.631 2.938 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(F)ccc2F)CC1 1722449785 ZIJIGMRCVLDBAK-UHFFFAOYSA-N 450.493 2.556 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722481319 YIAISWSJPZICGQ-UHFFFAOYSA-N 494.825 2.647 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNC(=O)c2cc[nH]n2)CC1 1722565857 DIPBTKMBLFRSCX-SFHVURJKSA-N 484.605 2.702 30 10 JFEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722617520 NIYLJOYKEONFRL-QFIPXVFZSA-N 473.643 2.774 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722620118 JEYBFGHNSWOHOI-OALUTQOASA-N 455.515 2.854 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C(=O)NC)CC2)cc1 1722731840 MXHLIVJQPAMVGV-UNMCSNQZSA-N 469.586 2.578 30 10 JFEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722733626 ZHKBWUCZKULZLZ-UHFFFAOYSA-N 461.570 2.835 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722734859 KMDYJLAAPFYUOO-CYBMUJFWSA-N 460.423 2.578 30 10 JFEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722740314 NIGAXLUXNAGGCC-HJNYFJLDSA-N 476.691 2.818 30 10 JFEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1723806216 BMFPSOPEMKZJCG-SJLPKXTDSA-N 484.557 2.906 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1728324412 BHVSQMYDYRBZIX-UXHICEINSA-N 473.599 2.701 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[S@](=O)C(C)(C)C)c2ccccc2c1=O 1728639746 FDFVVAFQDVMXHL-MIKNWGHHSA-N 469.615 2.960 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](Cc1ccccc1)OC 1740546938 MAOKUWXKOFFJQG-AZUAARDMSA-N 466.611 2.954 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)c1 1740564118 BAPIQSIUNZWJLI-QUCCMNQESA-N 496.612 2.999 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1740621857 ZYZBNQYZADRXRA-HRAATJIYSA-N 499.420 2.684 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740624534 HXDGCFHESGCXHN-HSZRJFAPSA-N 469.655 2.678 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740626452 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452.669 2.945 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740878965 BOFACCZGIXLDKY-UHFFFAOYSA-N 457.600 2.809 30 10 JFEE C=CCCCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1740881439 HEWJJTSLJUTLQA-DEOSSOPVSA-N 489.642 2.797 30 10 JFEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740945509 UDTWCLFDSVIPLB-UXHICEINSA-N 452.603 2.957 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740964390 ODENGTIUICPEST-HXUWFJFHSA-N 464.574 2.518 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)c2ccco2)C1 1740976038 ZKZDYMAXGJNDBU-MBSDFSHPSA-N 472.567 2.631 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCN(C(C)=O)CC2)C1 1740982074 SFDFSWGOMOREAN-QFIPXVFZSA-N 453.587 2.917 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1740987973 PPFLDZLVIWCGQD-HXUWFJFHSA-N 472.567 2.732 30 10 JFEE C[C@H](CN1CCCC1)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1741871340 CQDPUZJWXWZFNT-RTBURBONSA-N 451.623 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470.686 2.982 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1(=O)=O 1286765021 JTJMQYYMOWSCLK-MRXNPFEDSA-N 486.436 2.652 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286778637 CKQZZIPFWCJQRZ-MDNUFGMLSA-N 466.630 2.669 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1286778817 FMAHIZBINXQDBK-AEFFLSMTSA-N 473.647 2.864 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286783105 GTVJBECTABXSFK-UYAOXDASSA-N 468.602 2.718 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286794117 XCNRFCRGEPMORA-YQVWRLOYSA-N 476.622 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286818626 LHXYVKLAGXATHY-OAHLLOKOSA-N 481.003 2.629 30 10 JFEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1287728193 FERZEZXQMQZBDM-DEOSSOPVSA-N 481.645 2.616 30 10 JFEE C[C@@H](c1nccs1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1288506559 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485.635 2.787 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358967502 LSHWZUPNZJUQQS-OALUTQOASA-N 462.641 2.788 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)c1nccs1 1358981397 ILWXDRLXAQCLNH-QFIPXVFZSA-N 473.650 2.976 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358989642 KJXHBEHRNYIJNN-OAQYLSRUSA-N 489.498 2.790 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1359032161 DSLDUDHEFFDUKH-QFIPXVFZSA-N 450.631 2.764 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCN2CCC[C@@H]2C)CC1 1359035263 PHDWUWXPEBVJPR-NRFANRHFSA-N 485.677 2.632 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC)CC1 1359041590 BQMFUAIKWVMVJC-UHFFFAOYSA-N 460.582 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)CC1 1359046212 IUOPUVVIKATAKA-UHFFFAOYSA-N 475.572 2.871 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccnc(SC)c2)CC1 1359046459 SGDXIPBLXXAALZ-UHFFFAOYSA-N 481.651 2.765 30 10 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482.585 2.526 30 10 JFEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1443028375 BCETUILPHFJVMZ-SFHVURJKSA-N 453.543 2.685 30 10 JFEE C[C@H]1CCN(CCOc2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc2)C1 1445041093 BBXVYMGONIWLLP-ZWKOTPCHSA-N 456.568 2.584 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1502372220 FRRIBNGVXZUIFA-UHFFFAOYSA-N 458.570 2.701 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1507577111 PJCDCNRFQWDDLC-CTNGQTDRSA-N 457.600 2.614 30 10 JFEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507579445 WUJYAAOIXVRHCX-IBGZPJMESA-N 472.387 2.949 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1507628988 JGBZDXFOSQQHSU-SFHVURJKSA-N 487.532 2.925 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507640447 SRXBOEHFSNEOBT-HSZRJFAPSA-N 499.681 2.575 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507648077 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30 10 JFEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 1298349940 RAMLTHFAMGPWEZ-RBUKOAKNSA-N 450.919 2.503 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(NC(=O)OC)c1 1300465086 KSKHMQAZZZOWLC-IBGZPJMESA-N 484.557 2.883 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)c1ccco1 1300472586 DZWWSTXKZXYMBS-UHFFFAOYSA-N 458.316 2.712 30 10 JFEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300587258 LAANFCNPPNIGTK-VXKWHMMOSA-N 457.644 2.678 30 10 JFEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 1300591975 XSAOFEJQMKXENM-AREMUKBSSA-N 463.651 2.734 30 10 JFEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCS(=O)(=O)CC1 1300606100 DYXFFVCMTRHUQU-UHFFFAOYSA-N 462.641 2.675 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1300731723 HJVQZUBENFDLDQ-ZHHKINOHSA-N 471.646 2.714 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1301039992 AMHWVDHWACWNDL-FUHWJXTLSA-N 458.028 2.755 30 10 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JFEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 1705910324 YZMVMIHTMHOFFS-JOCHJYFZSA-N 452.559 2.922 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Br)cs2)C1 1705922218 IOTBUFDWQPWULO-ZFWWWQNUSA-N 452.378 2.883 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)nc2)C1 1705929633 UWGPZXDBBYWHOC-KRWDZBQOSA-N 454.556 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705936601 UTFFMKFLHXLTNF-PZJWPPBQSA-N 487.626 2.610 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1705939834 NRNXIEYODYWIQW-LNLFQRSKSA-N 465.645 2.774 30 10 JFEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1707582935 HHAANZSZHVJCPC-FQEVSTJZSA-N 450.568 2.981 30 10 JFEE CCOC1CC(O)(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1710599928 DRDUAARCPPASLU-HCYSDIRSSA-N 496.612 2.576 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC1CCCCC1 1722284282 LSHNIJMCLYRRIF-MRXNPFEDSA-N 456.978 2.768 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2nncn2-c2ccccc2)n1 1722427089 FXUKKDFSFBQKTJ-UHFFFAOYSA-N 473.585 2.687 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCc2nccs2)CC1 1722433048 JTKAZIQVDKFIIE-UHFFFAOYSA-N 474.432 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnc(C)s2)CC1 1722440337 DAAOVQHAIMACGZ-UHFFFAOYSA-N 491.621 2.926 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC=C)CC1 1722443974 RPZJEFVAFKCURM-UHFFFAOYSA-N 458.360 2.868 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCc2c(C)noc2C)CC1 1722444794 FXLOIJLNZHNWPA-UHFFFAOYSA-N 462.554 2.767 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(O)CCC2)CC1 1722450526 LLWXUXXSMNETSR-UHFFFAOYSA-N 471.989 2.781 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)CCS(C)(=O)=O 1722497360 UZWIUMFDSCZIDZ-SJLPKXTDSA-N 453.996 2.846 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1722499928 ANHQCDWUPOUNOC-HXUWFJFHSA-N 488.658 2.856 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722519505 JNBYKSIKARVELB-UHFFFAOYSA-N 481.601 2.993 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722533205 LBEOELCPDCCDJM-UHFFFAOYSA-N 466.630 2.514 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722534244 JYXDUFKMUSSFAA-UHFFFAOYSA-N 450.503 2.563 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1722539834 ARHFCEYDTYRHLX-NSHGMRRFSA-N 477.656 2.655 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722695341 ACHFSTFXHVXATJ-UHFFFAOYSA-N 497.962 2.787 30 10 JFEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703871 KADCZHZCJZMTTK-IJEWVQPXSA-N 492.531 2.871 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(F)F)c(F)c2)C1 1722720965 QGMDLGQWIDXGOE-INIZCTEOSA-N 465.476 2.971 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(Cc2ccc(-n3cncn3)cc2)C2CC2)nnc1C(C)(C)C 1722732142 VFKYYCNQZQBPCE-UHFFFAOYSA-N 469.615 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC)[C@H](C)C1 1722751741 SYHBUOHKXYXJLA-MRXNPFEDSA-N 482.448 2.839 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCSCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1731184276 GZMBZWVOOYMUQI-KRWDZBQOSA-N 452.506 2.633 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740543533 QUYBHEYCTNJTFC-QGZVFWFLSA-N 480.569 2.675 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCc2nccs2)c1 1740563637 VBSXTBHTKUMIMV-UHFFFAOYSA-N 477.594 2.660 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740618487 IMDDCDGYSIJCPJ-ZWKOTPCHSA-N 491.614 2.777 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1740624459 IZSVHXCUJYZCEV-MRXNPFEDSA-N 479.031 2.530 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740630879 FVQBTAUGQRNOED-WOJBJXKFSA-N 459.591 2.722 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CSCCS1 1740658217 IALZTRUZUKGIJF-XMMPIXPASA-N 494.734 2.954 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1740683861 GPFVAQLCAWKNRI-FUPPJEDESA-N 451.571 2.792 30 10 JFEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740715763 FJBFGSNHETUYSQ-FPOVZHCZSA-N 458.676 2.729 30 10 JFEE C#CCSCCn1c(N2CCC(Cn3cccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740722343 HHTXRLOVGFTMHG-QHCPKHFHSA-N 458.632 2.798 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCCC)CC1 1740764474 XGAMKWBGJRFIHU-REWPJTCUSA-N 472.634 2.514 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740765762 CFIBDXACVXVZGD-PICATGQPSA-N 491.677 2.845 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740794032 YYGOJKKKUCHEEN-UHFFFAOYSA-N 471.577 2.676 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740850886 MOYAZTXCRPKNTO-KRWDZBQOSA-N 462.595 2.643 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1740876649 WEDIQVILUHIJBJ-HXUWFJFHSA-N 467.636 2.505 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740938943 OXGBAIPQBYYGDV-MRXNPFEDSA-N 474.915 2.895 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1740970950 FUMXYTBMMXAOBO-HXUWFJFHSA-N 466.586 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1740991418 WHGYSJKNOCIRJL-RTBURBONSA-N 460.600 2.775 30 10 JFEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(=O)NC 1741001831 CUUMTJLXSPCFDW-UHFFFAOYSA-N 466.652 2.884 30 10 JFEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CCO1 1741103259 AJEVYSOOKIDSGJ-GVCORALISA-N 479.629 2.669 30 10 JFEE CCCn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC(F)F)c2ccccc2c1=O 1745750849 BNNWSZVKPMBSQW-DEOSSOPVSA-N 498.538 2.576 30 10 JFEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1748761380 WDWPHJUHKXHACT-UHFFFAOYSA-N 473.581 2.653 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1748799883 XBIXGKAIACLBRI-LJQANCHMSA-N 465.579 2.863 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1748807737 CCMJCNPAWZBCLS-IBGZPJMESA-N 450.992 2.778 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748819485 PENOUDFPBQTDST-QZTJIDSGSA-N 484.956 2.573 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1748837663 LXJTUJMFAITEAG-WOJBJXKFSA-N 463.582 2.677 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCN(C(C)=O)C1 1748902909 WJUQFHOEWHHFQO-JOCHJYFZSA-N 463.582 2.977 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC[C@@H](C)C1 1748920167 DGEKHWAKLYVISQ-MOPGFXCFSA-N 457.648 2.818 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1 1748965284 RBVFKFDJTNNNGY-UHFFFAOYSA-N 450.992 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSCc2ccccc2)CC1 1749008561 CTTFEEONRXDQBO-UHFFFAOYSA-N 463.611 2.578 30 10 JFEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1749264891 IEPRAPNRYBVRJD-UHFFFAOYSA-N 466.977 2.865 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749369158 XEVSUOJMJQAUMD-ZWKOTPCHSA-N 451.637 2.525 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc2ccccc2s1 1749426499 DEZYPNQHUUCBTP-KRWDZBQOSA-N 476.628 2.823 30 10 JFEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749456614 JATOGLCTHYMXJX-PZJWPPBQSA-N 455.607 2.906 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1749597247 CVDUOWTUCMDISE-UHFFFAOYSA-N 455.563 2.941 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1749650804 HOJQDMJORJFYPE-QGZVFWFLSA-N 467.549 2.977 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749659080 UGQIEKSBAANEFS-HXUWFJFHSA-N 473.643 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1749721387 IRIJMJYIFZCBMO-UHFFFAOYSA-N 499.641 2.517 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(c2ccccc2C#N)CC1 1749721875 WBYNDMDECFVNNC-LJQANCHMSA-N 456.616 2.981 30 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COCCn1cc(C#C[C@H](N)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cn1 2365955904 DBBCATILAINYPW-QHCPKHFHSA-N 467.614 2.768 30 10 JFEE COCCn1cc(C#C[C@H](O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cn1 2366024036 MKUHQLINESPLMG-QHCPKHFHSA-N 468.598 2.801 30 10 JFEE COC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(C#N)c1C 9472665 CYDLDENQFAOKET-STQMWFEESA-N 477.564 2.765 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)cc2C1=O 18121746 SZJQKRLFQLXWOD-UHFFFAOYSA-N 453.926 2.959 30 10 JFEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)n2N)cn1 20921623 SSJOQRPMXRXNFZ-ZICLHRSZSA-N 453.576 2.501 30 10 JFEE C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C2=C1CN([C@H](Cc1ccccc1)C(=O)NCCOC)C2=O 35969787 YOGOCGSHXMEDDO-RDGATRHJSA-N 488.588 2.718 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccc(N(C)C)cc3)n2)cc1 59005318 OWKJSPBNZDZMSY-ZVHZXABRSA-N 453.572 2.776 30 10 JFEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1 102538770 RHHBMWZEIIIGGF-QQYUXEJHSA-N 496.560 2.856 30 10 JFEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1 102726042 LOSIOBKCFMNBQI-UGUGFTGJSA-N 466.534 2.933 30 10 JFEE CC(=O)O[C@@H]1CC[C@]2(/C=N/O)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@@]2(O)C1 253530283 XEZYOTFVCGERLI-LTTBCKIBSA-N 461.555 2.730 30 10 JFEE biogenic Cc1occc1C(=O)NC1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 727402529 HLHNWEXEZUNNQZ-UHFFFAOYSA-N 486.594 2.608 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1C[C@@H]1CCCO1 917768481 OMQHYZWYXWWVQA-NRFANRHFSA-N 471.582 2.561 30 10 JFEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)c1 1084143984 WFCQREICLFEUCM-UHFFFAOYSA-N 487.590 2.580 30 10 JFEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc(F)cc3)n2N)c(OC)c1 1084547420 ZYAHTRJPOORVDA-UHFFFAOYSA-N 459.507 2.715 30 10 JFEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)s1 1126119180 BSJHNXXJEUNOAH-UHFFFAOYSA-N 455.993 2.533 30 10 JFEE C#CCN(CC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC)C(=O)OC(C)(C)C 1177070611 HYYDWVNPWRNFEB-INIZCTEOSA-N 458.433 2.656 30 10 JFEE C=C(Cl)C[C@H](NS(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1193572816 HQJQKGDMSUSFOJ-SFHVURJKSA-N 458.964 2.781 30 10 JFEE CC(=O)NCCN(Cc1ccc(Br)s1)S(=O)(=O)Cc1cccc(C#N)c1 1211621447 DARFIRFQAWCQAT-UHFFFAOYSA-N 456.387 2.850 30 10 JFEE C=CCc1cc(CNC(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)cc(OC)c1OC 1221552184 IITAEJZHKNVCKU-UHFFFAOYSA-N 459.568 2.972 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286387988 JPFJBSAJEXENCN-JOCHJYFZSA-N 455.628 2.620 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286394250 HYCULINDOBEWTG-DHIUTWEWSA-N 499.681 2.913 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2nc(C)cc2C)CC1 1286492811 ADJMYAFRFOWXHL-UHFFFAOYSA-N 480.642 2.503 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1286512977 PFELSDAQDUNDKL-TZIWHRDSSA-N 469.659 2.988 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)Cc1ccccc1 1286514859 QXERTNVMRFSYST-XMMPIXPASA-N 471.627 2.804 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286545221 VDRJMEVUBLRCJZ-UGSOOPFHSA-N 454.394 2.927 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(=O)NC 1286549586 ANBYWWKKTADGDX-SUMWQHHRSA-N 451.369 2.589 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286589697 CTYWOVQZLXWWOA-QGZVFWFLSA-N 479.000 2.977 30 10 JFEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286595865 KRYUXTBGSSOOTO-UHFFFAOYSA-N 469.615 2.617 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1286601582 MSKQXHLLKPBEBV-SZPZYZBQSA-N 452.603 2.577 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286686836 CWXFYIKBGSEBQO-OALUTQOASA-N 451.637 2.525 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286700878 SJLRHXQDRCVSDI-GOTSBHOMSA-N 498.653 2.908 30 10 JFEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286708789 ZGKDBMNQWTYBMN-UHFFFAOYSA-N 461.632 2.917 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CCC1 1286742510 QLCVUITVUVOLJW-GTJUCTONSA-N 452.584 2.595 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1286745328 CLVVULYOEUYVFR-OAQYLSRUSA-N 454.600 2.968 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1286788495 XOEHJZWLZDSBEP-OAQYLSRUSA-N 489.020 2.676 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](c1ccco1)N(C)C 1286959806 AXWARJAWLILYSQ-XLIONFOSSA-N 485.614 2.687 30 10 JFEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1)S(C)(=O)=O 1295814535 AUCJGHDCZLZDFB-GOSISDBHSA-N 460.604 2.637 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1298283268 AOEMCQRMNWYJIU-UHFFFAOYSA-N 496.373 2.718 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1300380510 CJXBDSIJOKBKIN-UHFFFAOYSA-N 476.585 2.964 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1300381636 UYLZQGKXFSGKMZ-QGZVFWFLSA-N 482.651 2.528 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300393174 AMERTEBVXWBUDW-CQSZACIVSA-N 469.405 2.999 30 10 JFEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300468622 FYCSPUISQOKQOP-HKBOAZHASA-N 481.597 2.971 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300482342 DXVXYOPRXHFNJW-NEYJZJCJSA-N 476.574 2.609 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300484165 OSTMWXCIRKJIIZ-IBGZPJMESA-N 474.627 2.852 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCCCCC1 1300528189 SNOFCRGWXYEWTC-UHFFFAOYSA-N 458.566 2.833 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300569795 BKTAAARWNRDAFJ-BHIFYINESA-N 476.581 2.827 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cn(C2COC2)nn1 1300591032 LMSFTDHGZHTAEB-UHFFFAOYSA-N 473.581 2.963 30 10 JFEE CO[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1300744240 GGCPSBZJZNBZEK-REWPJTCUSA-N 466.586 2.991 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1301012436 CFLWXZUDUIDEPQ-ZIAGYGMSSA-N 474.414 2.872 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1301072555 MAYOBCHIVSQMTF-JOCHJYFZSA-N 473.643 2.862 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1301095755 OBCVSOMRBUSREW-LJQANCHMSA-N 455.559 2.517 30 10 JFEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(N(C)C)CCOCC2)CC1 1301130378 YPQQZEFDLMACTR-UHFFFAOYSA-N 458.632 2.783 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)CC1)c1ccccc1 1301164640 VNUVJJYRJGARPE-IBGZPJMESA-N 450.568 2.854 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301246168 QBIFBQZBZMJBNQ-RBUKOAKNSA-N 455.559 2.802 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301364850 AROCJHJIMGNJMO-IBGZPJMESA-N 472.640 2.800 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(O)(CC)CC)C1 1301553957 AFSAHOONKJUWJM-QGZVFWFLSA-N 452.559 2.524 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)C1 1301565908 LQCZYTVADNIMEN-ZWKOTPCHSA-N 464.563 2.745 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1303939422 FDAQPUWJDLGZNP-AVRDEDQJSA-N 477.034 2.934 30 10 JFEE C[C@H]1CCC[C@](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)(N(C)C)C1 1304982641 BDMBATCWSWRZPO-CYFREDJKSA-N 470.643 2.808 30 10 JFEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccccc1CC#N 1350249356 BGPVPZIGAXQOOM-UHFFFAOYSA-N 457.552 2.742 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)nc2)c1 1358902571 SEDHFIWCVNORRB-UHFFFAOYSA-N 460.929 2.832 30 10 JFEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCNS(C)(=O)=O 1358908447 XCNGHJBRMRRMRS-UHFFFAOYSA-N 472.384 2.636 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1358961528 ANKAGMGLUPSWCR-FCHUYYIVSA-N 488.658 2.890 30 10 JFEE 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C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)CC2CC2)C1 1595755268 UQLKKYNBTQRJLV-VAMGGRTRSA-N 466.648 2.803 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1595758824 CEAWRINMHCWSAI-LJQANCHMSA-N 461.632 2.894 30 10 JFEE Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)s1 1612381206 CLMPHYIFJQWFCK-UHFFFAOYSA-N 474.612 2.526 30 10 JFEE CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)s1 1613903125 FVGYKJCAMNPRGX-UHFFFAOYSA-N 457.585 2.551 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1619909534 AHMKLTZKJSRAKW-LJQANCHMSA-N 482.610 2.993 30 10 JFEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCCc2ccccc21 1620613453 GLEXYVXBAGMQOY-DEOSSOPVSA-N 451.592 2.532 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)c1 1622638830 XBRZKWGQRGOBNG-KRWDZBQOSA-N 456.442 2.814 30 10 JFEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1625257098 DTBFTVNQEXECSK-UHFFFAOYSA-N 454.335 2.925 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC=CO2)CC1 1690152487 MYYXVDSMFGFSDM-OAQYLSRUSA-N 453.518 2.655 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC(OCC)C1 1690196133 ZGQCBTZMYNYWGG-ZWVUXNTGSA-N 462.392 2.968 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1690243631 NHPSKQBLIQAROP-GGPKGHCWSA-N 453.591 2.847 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690259793 WXKDWYFWNFRUHU-LJQANCHMSA-N 491.522 2.586 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690299191 JEFFKDSBTGOSDQ-UHFFFAOYSA-N 495.628 2.993 30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690315486 BUYOKFOVKMTXRS-HXUWFJFHSA-N 465.554 2.927 30 10 JFEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1690351021 FUYYWZLVILXUGH-NRFANRHFSA-N 455.994 2.748 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690466831 CJVQHDTUSXCVPL-INIZCTEOSA-N 457.560 2.895 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(=O)OC)CC1)C1CC1 1690539673 IBTJVEMEUWUECF-UHFFFAOYSA-N 473.599 2.982 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(C)C)C1 1690661703 DNUGOLWBUCNQMT-GOSISDBHSA-N 473.647 2.721 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690677468 XPNPHBHOPPCVTK-FDDCHVKYSA-N 457.600 2.565 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCC2)C1 1690729564 QTZSUGLHSFNHPX-UHFFFAOYSA-N 485.610 2.869 30 10 JFEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)COC)CC1 1690736829 PZKKUIVZNHWQKR-UHFFFAOYSA-N 486.461 2.983 30 10 JFEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)C[C@H]2C)CC1 1690828144 COHRLMPPYZBQPT-HYBUGGRVSA-N 479.629 2.621 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1691003243 FCCFALQNXDBPDM-SJLPKXTDSA-N 458.588 2.541 30 10 JFEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1693508785 FDZUCUYRFNAZFJ-UHFFFAOYSA-N 452.563 2.579 30 10 JFEE 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JFEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC(=O)N(CCOC)C1 1705607645 LGMRGEGSOJRYLM-AWEZNQCLSA-N 466.405 2.724 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1705619644 XPDWYZLMKVOHRY-FBLLAGFSSA-N 472.561 2.638 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1705630821 HZTPQLIVROTQLM-NRFANRHFSA-N 496.612 2.844 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1705641328 APYJNGMCHFTFBU-UHFFFAOYSA-N 458.632 2.991 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(Cn2cncn2)CC1 1705656184 XFRFOABXPPWNPC-UHFFFAOYSA-N 467.599 2.837 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705666820 DWXACJUJHSBGMQ-URVUXULASA-N 483.638 2.858 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705727248 PYRRCIYVJWJVRP-WOJBJXKFSA-N 471.675 2.841 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705733320 LOYWGIQFXSZUPN-CRAIPNDOSA-N 478.479 2.670 30 10 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498.049 2.772 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588069847 UDFYRJDLCYJJJT-JOCHJYFZSA-N 485.654 2.667 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccccc1)N(C)C 1588139065 KOGIIMILGXVWIQ-PKTZIBPZSA-N 492.624 2.962 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCC[C@H]1CO 1588276812 ZWZUYKBXAHXKTO-SFHVURJKSA-N 463.424 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC[C@@H](F)C2)CC1 1588947670 SIWSUIDMAJAUJI-WIYYLYMNSA-N 453.562 2.982 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2ccsc2)CC1 1588955535 ZPJFQWBTXSKVJS-QHCPKHFHSA-N 469.636 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCSC2)CC1 1588969326 ZYSYWJUSENAVFN-SFHVURJKSA-N 469.611 2.585 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1589484650 UXRAOZHMWLLIKL-RXVVDRJESA-N 455.559 2.846 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1589567757 GELWEMHAMAVJMM-GCJKJVERSA-N 488.633 2.875 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)OC(C)(C)C 1589614760 FRSXZAJBVLKZGY-UHFFFAOYSA-N 453.551 2.848 30 10 JFEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OCCOC)C1 1593866242 ONSAFWLWYKBRPS-MRXNPFEDSA-N 469.011 2.623 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1594803228 PNCYLNQCAZHMFX-UHFFFAOYSA-N 454.550 2.984 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1594813595 UZDOLFIEPOTBRP-YADHBBJMSA-N 479.691 2.721 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1595523345 USQXCEPALZLFGK-FQEVSTJZSA-N 455.456 2.916 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCC(O)CC2)C1 1595681847 VNURJSWAKSFSNT-IBGZPJMESA-N 493.450 2.674 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)C(C)(C)C)C1 1595688352 GYCQRBXVRCTGNL-GOSISDBHSA-N 478.615 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595773297 XCHVNLBHEXKFLL-INIZCTEOSA-N 477.978 2.670 30 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CC(C)(C)OC(=O)N1CC[C@@H](C2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C2)C1 2282863000 LOSDBHGVBUXVTM-OAHLLOKOSA-N 498.476 2.925 30 10 JFEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CC1 2282990062 NDPNFJNEGGCVKE-UHFFFAOYSA-N 462.352 2.574 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2283990267 APCJLJNHLUKAMJ-YJBOKZPZSA-N 464.343 2.993 30 10 JFEE Cc1csc(CN(C)C(=O)C2(CNC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2284033092 IJTNXRAUALQRKU-UHFFFAOYSA-N 480.436 2.855 30 10 JFEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2284055600 VZPBYXKCIUYVBS-SJORKVTESA-N 478.420 2.590 30 10 JFEE Cc1ccc(NC(=O)C2(O)CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2284138904 GOKLOMLGCOZVBE-UHFFFAOYSA-N 460.380 2.995 30 10 JFEE Cc1ccc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2284474317 JMERXFOGWWNFDK-OAQYLSRUSA-N 452.360 2.609 30 10 JFEE O=C(COC(=O)c1ccccc1NC=CC(=O)C(F)(F)F)NCc1ccc2c(c1)OCO2 2297486748 RRYYGTRCMYGKKJ-UHFFFAOYSA-N 450.369 2.946 30 10 JFEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315639356 BXTMCJKFNACYIM-KGLIPLIRSA-N 451.398 2.960 30 10 JFEE O=S(=O)(NN=Cc1cc(Br)c(O)c(Br)c1O)c1ccccc1 2323097781 UNMYYKSGIPNQAE-UHFFFAOYSA-N 450.108 2.935 30 10 JFEE COC(=O)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccc(OC)c1O 2326200054 RZZOKUSPPAIDQD-UHFFFAOYSA-N 486.550 2.942 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(OC)c1O 2328984853 DDUQINRMUBUVGI-QGZVFWFLSA-N 488.614 2.559 30 10 JFEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)C1=NNC(=O)CC1 2331403687 DCWNSCUVOKYLBD-UHFFFAOYSA-N 450.447 2.924 30 10 JFEE CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)C=O)O1 2333261577 UGULWMUJNRGHHA-SCNHQGDISA-N 450.478 2.573 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2357337428 VOEZESCZGKNCTI-QFUWZBAQSA-N 462.396 2.955 30 10 JFEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)c1 20527482 GKGCDHOGDNZCGF-LSFURLLWSA-N 477.934 2.545 30 10 JFEE Nn1c(N/N=C/c2cc(Cl)cc(Cl)c2O)nnc1SCC(=O)Nc1nccs1 21318670 ZRAGIAHWWAPZBX-PTXOJBNSSA-N 459.344 2.638 30 10 JFEE Cc1nc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccc(C#N)cc3)n2)sc1C(=O)N(C)C 23243370 ZCHGDQPJBKYGKK-UHFFFAOYSA-N 468.564 2.582 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)cc2C1=O 32375295 BKGFHNNNMLEVPR-OAQYLSRUSA-N 453.926 2.925 30 10 JFEE COc1ccc([C@@H]2/C(=C(/O)c3cccc(OC)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 102495091 BHGVIUYBOYBKHU-UGUGFTGJSA-N 466.534 2.848 30 10 JFEE CN1CCOc2ccc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccc(O)cc3)cc21 170133960 FBZYVDBNVMFUBQ-PGRDOPGGSA-N 450.491 2.978 30 10 JFEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)Nc1ccccc1F 253572971 QVTGLLMZTAPKSF-UFWORHAWSA-N 460.407 2.937 30 10 JFEE O=S(=O)(c1ccc(NC(=S)NN=Cc2c(F)cccc2Cl)cc1)N1CCOCC1 254819439 XLABCQMLFYKMGR-UHFFFAOYSA-N 456.952 2.821 30 10 JFEE COC(=O)c1ccn(CSc2nncn2N=Cc2cccn2-c2cccc([N+](=O)[O-])c2)n1 254842264 ABAPRJNBZJLXEV-UHFFFAOYSA-N 452.456 2.592 30 10 JFEE CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 502919230 MMOSEACHRSIYHA-UHFFFAOYSA-N 493.589 2.925 30 10 JFEE CS(=O)(=O)N(c1cccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)c1)S(C)(=O)=O 729824141 YEILNBAUQINXHV-RMKNXTFCSA-N 458.901 2.870 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 749648182 JXFJKIWEYRCWQG-CTNGQTDRSA-N 475.611 2.850 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)[C@@H]1COC[C@@H]1C(=O)O 757379315 ZLDHIDMBLDYUJP-KMDXXIMOSA-N 476.529 2.865 30 10 JFEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1Cl 916937057 DFWMDHUEOBGQRW-GLFJAGTFSA-N 450.948 2.722 30 10 JFEE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1 1083995656 VXEDHAFDWNZXFW-UHFFFAOYSA-N 460.568 2.560 30 10 JFEE C#CCN(C(=O)c1cc(S(N)(=O)=O)oc1C)[C@@H]1CCOc2ccc(Br)cc21 1136804605 GNGVPFQWCBDNMK-OAHLLOKOSA-N 453.314 2.597 30 10 JFEE C=CCNC(=O)CNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 1152531990 ISFXCCGSEKXPOU-RDPSFJRHSA-N 451.523 2.607 30 10 JFEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)CC1 1155874112 VKEUYYVBUIRPLL-UHFFFAOYSA-N 455.580 2.656 30 10 JFEE C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1193322590 CUFNVMHTRWRNEW-CYFREDJKSA-N 453.537 2.884 30 10 JFEE COC(=O)c1nccc2c(S(=O)(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)cccc12 1208064635 DBPQABNDONSVLX-HXUWFJFHSA-N 450.520 2.593 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1286385894 QRVPHBCSDYXECC-KRWDZBQOSA-N 450.992 2.935 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1286397194 RXDNYVZYZOCMSX-GCJKJVERSA-N 481.018 2.688 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC(C)CC1 1286421338 OWVMOZVHVPDNFX-UHFFFAOYSA-N 453.612 2.543 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C(=O)NCC)c1 1286459484 NDKLXIROUPQWDJ-UHFFFAOYSA-N 499.413 2.930 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Sc2ccccc2)CC1 1286485058 BUFPMDLSZATVSM-LJQANCHMSA-N 480.638 2.661 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](CC)N2CCCC2)CC1 1286485646 SKMBDWAHARPDQE-VXKWHMMOSA-N 485.677 2.980 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)O)CC1 1286489034 CLSUVIIRDDZQMC-UHFFFAOYSA-N 478.366 2.583 30 10 JFEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286497856 YKXRHUVNTOILSD-ROUUACIJSA-N 467.636 2.814 30 10 JFEE C#CCSCCn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@]1(OC(C)C)CCOC1 1286510081 HWRVTQLWBOQKGA-QFIPXVFZSA-N 464.632 2.807 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(C)C)CC1 1286604203 PEVQPZAOKFYZQO-UHFFFAOYSA-N 455.559 2.614 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286701530 XQPISJBRLHQYFW-KRWDZBQOSA-N 465.558 2.918 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1286792399 WUDGLFWCPHLELI-FQEVSTJZSA-N 463.586 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286816461 JGSRSUKWBOECMC-RHSMWYFYSA-N 474.505 2.711 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC[C@@H]3CCO[C@@H](C)C3)CC2)c1C#N 1290576180 BKOHYFAEWWLUDJ-AZUAARDMSA-N 454.623 2.922 30 10 JFEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1297321721 IFJKAGHYSRYQQB-VQTJNVASSA-N 453.008 2.643 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)N(CC)CC)c1 1300333853 DBPBUWZYZPGKNC-FPOVZHCZSA-N 452.603 2.959 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1300457877 BTHHADAQZHYCFR-SFTDATJTSA-N 450.635 2.890 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300497248 ADBMPJHAKVMBOZ-OALUTQOASA-N 491.608 2.506 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC(C)C 1300565467 PUJJCLKENMXLFG-UHFFFAOYSA-N 492.443 2.807 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)cc1N1CCOCC1 1300635298 IPJUAXTUPYLKHQ-UHFFFAOYSA-N 478.622 2.922 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCC(C)CC2)CC1 1300682263 JJHIJNVTHJXELM-UHFFFAOYSA-N 463.630 2.634 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300740971 JDWINEGPQVEDCX-HNNXBMFYSA-N 486.461 2.806 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1300777540 YABFWEVABYMSHU-UHFFFAOYSA-N 481.578 2.788 30 10 JFEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300990944 NZPRBMGEKRWVAW-PXNSSMCTSA-N 457.531 2.660 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1300994293 RBAXVXQJCXMAGD-UHFFFAOYSA-N 453.634 2.630 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301144119 WHGCFWKZTCBQPU-UHFFFAOYSA-N 494.640 2.617 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301240672 FPNNOZMHYFBLPY-NVXWUHKLSA-N 468.396 2.879 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCSC1 1301578607 GAUQADRZXQIZRB-LJQANCHMSA-N 458.613 2.673 30 10 JFEE C=CCn1c(SCC(=O)N2CCC([C@@H](F)C(N)=O)CC2)nnc1-c1ccc(Cl)cc1 1301876921 LXSHIEKFNYYGKG-QGZVFWFLSA-N 451.955 2.939 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2sc(C)nc2C)CC1 1301927356 CYKKNCXZOKRZJR-UHFFFAOYSA-N 481.626 2.813 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1)N1CCOCC1 1305702293 BAEHZTKEQNWZAE-HSZRJFAPSA-N 495.628 2.842 30 10 JFEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1358916192 CVGDLGGNLYRYLU-FQEVSTJZSA-N 476.585 2.809 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1358923876 DRPVXXCFVRAIIU-OAQYLSRUSA-N 474.491 2.864 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1358955330 JZHMACJDGLGDPS-SFHVURJKSA-N 491.683 2.863 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1358962171 LVJNCRMFYQKRAG-JKSUJKDBSA-N 498.527 2.588 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc2c(c1)OCCO2 1358985925 KCXWWDPPXDHOGH-SANMLTNESA-N 464.566 2.796 30 10 JFEE 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C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286588332 BQDBYKJVWYMQOU-QGZVFWFLSA-N 463.604 2.646 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(F)(F)CC1 1286786575 HIBFJQYBSONXJR-UHFFFAOYSA-N 471.512 2.774 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286821885 DFHJRVQPGZSXNO-UHFFFAOYSA-N 459.616 2.644 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1287047352 AUYJVAMUNRECBX-RUZDIDTESA-N 481.601 2.928 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCO[C@H](C)C1 1287470947 HPDLSGDTXQEQLU-OAQYLSRUSA-N 466.634 2.571 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)C)nc2)C1 1296328349 BUEFFACGLGTYHT-NRFANRHFSA-N 495.609 2.565 30 10 JFEE C=CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)[C@@H](Cc1ccccc1)C(=O)OCC 1296419712 CTCDIJATKSIMDO-LEWJYISDSA-N 459.587 2.727 30 10 JFEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1298447575 HJKNDXRIOYIKRC-UHFFFAOYSA-N 450.938 2.601 30 10 JFEE 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451.493 2.924 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNc1ccc(C(F)(F)F)cn1 1705667965 AIVNVQNYSAFSCE-FOIQADDNSA-N 499.563 2.796 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1705711392 KCMMEMLTWVAEKA-KRWDZBQOSA-N 466.579 2.899 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1705825267 OIDLLTOSVWLVCL-UHFFFAOYSA-N 481.601 2.897 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(=O)OC)C1 1705826318 BBWHTPIWYBTGCW-CQSZACIVSA-N 452.353 2.638 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705892729 CDPKKUPTTSZOSG-UWJYYQICSA-N 458.994 2.685 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1705900463 DYIUZGZTSJRJAJ-VWLOTQADSA-N 463.586 2.994 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCOCC1 1705903305 SFDFQEZYAXWDRD-LJQANCHMSA-N 476.622 2.558 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCCCC2)CC1 1705908863 WUFFFEHGGORNEJ-UHFFFAOYSA-N 456.566 2.753 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C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1740735937 BOLRTASUFGBLOC-UHFFFAOYSA-N 469.347 2.556 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1740801997 FKOJXVRLMRGXGO-SFTDATJTSA-N 489.642 2.576 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1740840875 CSVMCDYEPOXHTC-UHFFFAOYSA-N 450.587 2.978 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740843592 LTHYRYPDHHJQIF-SFHVURJKSA-N 486.584 2.904 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740885448 HGKLQUQNZRAEKZ-KRWDZBQOSA-N 462.595 2.706 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 1740964069 GEGQKMLCDKSEMI-UHFFFAOYSA-N 469.977 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1740987922 OFIZUXLQLGYABC-JOCHJYFZSA-N 490.626 2.959 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1741005306 IARVWGPFEBQFRT-UHFFFAOYSA-N 480.573 2.904 30 10 JFEE 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C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CC1 1595094374 SGJWONKAQMPVJQ-HXUWFJFHSA-N 455.584 2.814 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CCc1n[nH]c(C)n1 1595100224 OOEZTSIQSRXREA-UHFFFAOYSA-N 456.558 2.873 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1595497302 XCEGONWYYRANDO-ROUUACIJSA-N 454.531 2.799 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1595555777 GXXDBLPGBDFZLT-IBGZPJMESA-N 482.604 2.785 30 10 JFEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1595884015 FMZWFBNZMRFWFD-IAGOWNOFSA-N 453.609 2.731 30 10 JFEE C=CCC1(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCCC1 1618702958 IKTOLSSEUKRONL-UHFFFAOYSA-N 455.621 2.606 30 10 JFEE Cc1onc(-c2cccc(F)c2)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624067038 AWQVECNRWUTQEY-UHFFFAOYSA-N 454.483 2.808 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)OCc1ccccc1 1629827380 BOXDYMGUMSSYNZ-IBGZPJMESA-N 457.552 2.534 30 10 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30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 1665970088 WBLFJZIHYKTPGX-DLBZAZTESA-N 456.568 2.981 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1689854759 HJSLLOJVEFSTGB-NTKDMRAZSA-N 455.628 2.543 30 10 JFEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1689885573 NBZQCXGYDHIXJH-SFTDATJTSA-N 451.619 2.894 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(C(N)=O)nc1 1690026511 CCCXQKVKWDACFK-UHFFFAOYSA-N 469.332 2.779 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1690047104 LLNJDALNMYQWHS-JWQCQUIFSA-N 461.610 2.926 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2SCCc3ccccc32)CC1 1690112454 YIOHYRFETGDQGB-DENIHFKCSA-N 455.628 2.788 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690136208 BGQKSEITQZFWBN-UPTQXZAWSA-N 455.628 2.684 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690154209 KGLDJOLTDCKFHC-FQEVSTJZSA-N 480.638 2.527 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690155837 PFCSHQOHLBQRRX-KRWDZBQOSA-N 495.646 2.784 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690176813 BDWFIQLNOAWAFK-FQEVSTJZSA-N 498.672 2.944 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1690178787 GMMSNRRIRMCGNJ-UHFFFAOYSA-N 464.595 2.931 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1690193698 PMIDNDQSIVARIH-KNXBSLHKSA-N 479.002 2.613 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)C(C)(C)C 1690196668 SQRLHMZHYVRQAG-HEIROHQZSA-N 491.683 2.735 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(C)(=O)=O 1690196816 ZNVVIVCFZSOSPO-HXUWFJFHSA-N 480.432 2.947 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690221941 DLIJCSSQGLEGHC-QGZVFWFLSA-N 477.407 2.888 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690502822 HRRYQUKRKBCFES-UHFFFAOYSA-N 485.976 2.787 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1690634730 QPAQRUUBUBOURF-INIZCTEOSA-N 471.986 2.800 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC2CC2)CC1 1690661960 MLJIDMLQTCQDJD-UHFFFAOYSA-N 459.392 2.542 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CCOCC2)C1 1690700580 UZWGTUZOYSSUTE-VQTJNVASSA-N 477.606 2.794 30 10 JFEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690750336 GZDNXFQBFWRMDC-OAQYLSRUSA-N 471.627 2.912 30 10 JFEE CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1692447745 FTUMMSVDEWIWTD-OAQYLSRUSA-N 455.559 2.522 30 10 JFEE CC[C@@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1694836821 DCXIKOWCZVPIJW-UXHICEINSA-N 450.591 2.836 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2ccnc(C(F)(F)F)c2)cc1 1698488152 DQQOINJCUOPLDU-UHFFFAOYSA-N 471.443 2.517 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705562926 MSTLMLLPJGTUQN-YKSBVNFPSA-N 488.679 2.737 30 10 JFEE 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1722306356 JUPAYPSXZRSADA-REWPJTCUSA-N 480.613 2.543 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCCCC2)CC1 1722308422 NBHMOEYWLTZRMC-FQEVSTJZSA-N 464.680 2.784 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722362688 RRKGITWCLGOQKW-SFTDATJTSA-N 465.577 2.835 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722364073 WYOKLPLKGBMGND-CTNGQTDRSA-N 480.638 2.850 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCCC[C@H]1C 1722380460 MQRJDLPECGORRB-OAQYLSRUSA-N 471.609 2.919 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(N2CCCC2)CCOCC1 1722385515 HORSHNYYGLFFQZ-UHFFFAOYSA-N 451.546 2.714 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722386369 VUVXEBDKHJBRMF-LJQANCHMSA-N 474.544 2.570 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1722442510 UPIIWEMFUAVNOK-UHFFFAOYSA-N 499.681 2.735 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722466240 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C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300489539 OMURCXZPZGLDFM-NZQKXSOJSA-N 480.638 2.565 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)C)n1 1300680735 CZRCXMMKERUTCE-OAQYLSRUSA-N 499.616 2.645 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](CC(C)C)N(C)C)CC1 1300684865 BSBUFCHWYCUGES-SFHVURJKSA-N 462.440 2.767 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1300690915 LDXJYDPUMZCFGF-GOSISDBHSA-N 454.575 2.622 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1300760556 DVALADKXMHVLIW-SFHVURJKSA-N 454.600 2.939 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1OC 1300778894 IYSSFVLMHLISPK-XMMPIXPASA-N 453.543 2.580 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1300843799 FWAFTBOMWHVSEV-UHFFFAOYSA-N 490.328 2.735 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1300851645 XMWBURAYFGGBJF-AWEZNQCLSA-N 454.319 2.577 30 10 JFEE 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C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1301355424 VHRUWRDKCMWBRJ-FQEVSTJZSA-N 491.633 2.623 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1301429288 QWXNXZLRWCXZPJ-GOSISDBHSA-N 490.992 2.777 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(=O)NCC)CC1 1301480488 AEKZRUOUXGWOIJ-UHFFFAOYSA-N 494.625 2.531 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1301530250 QXTLDBQBRSDLPP-UHFFFAOYSA-N 480.613 2.916 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1301536349 UULAABOMUOSHCY-IBVKSMDESA-N 483.613 2.989 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NCC)C1 1301558170 SXKNBXYHNAQYPI-PXNSSMCTSA-N 455.559 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1Cc2cccc(Br)c2C1 1301578736 HDHGFVMHSDYGGI-UHFFFAOYSA-N 477.388 2.562 30 10 JFEE C[C@@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCO1 1304932692 HQVOUGZJKUAIDU-RTBURBONSA-N 487.626 2.947 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1305338364 DQTDZIBXEXKEDL-LAUBAEHRSA-N 471.581 2.815 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2=O)cc1 1312537352 DTPKYKHJIPIRTK-LZBANZJXSA-N 458.522 2.615 30 10 JFEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)cn1 1313841436 BRTFBCFOECIBHV-IFMALSPDSA-N 465.558 2.633 30 10 JFEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1314018813 FLKNXQVFXAQDEL-WOJBJXKFSA-N 495.628 2.983 30 10 JFEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1358917842 CNAICEPODMJKFS-OAQYLSRUSA-N 454.550 2.833 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1359020897 UGNZIHFQNIXMCC-QHCPKHFHSA-N 474.565 2.878 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(Cl)ccc2s1 1359024504 ONUCCLBLOIXOBD-AWEZNQCLSA-N 480.015 2.578 30 10 JFEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1359026874 NIVZYKDYAAORSN-IBGZPJMESA-N 462.641 2.790 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 1359027240 BBPOZRWXGRFGFC-HXUWFJFHSA-N 471.606 2.716 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cccc(Cl)c2)n1 1359028128 IBDQXNVEDGDXTQ-IBGZPJMESA-N 454.962 2.966 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCNc2ccccn2)CC1 1359029080 OIJGJDCZVCGBSZ-UHFFFAOYSA-N 493.015 2.514 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCO[C@@H]2CCOC2)CC1 1359045493 JKERIQCYDSWWLH-JOCHJYFZSA-N 486.016 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1359046295 MECGLMNWNNAVOM-LADGPHEKSA-N 464.614 2.681 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](OC)C(C)C)CC1 1359047232 XHIVRLKCMVPXLA-QHCPKHFHSA-N 462.598 2.918 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1359055010 PTQGJVOKPAMMQW-UHFFFAOYSA-N 495.697 2.928 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1359165257 LLADQJIOSXNPOY-FQEVSTJZSA-N 457.600 2.525 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1)c1ccccc1 1359196052 WMUCGJAFPRZUAX-YMPZKCBVSA-N 487.670 2.697 30 10 JFEE C=CC[C@H](Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1359196080 XCAYSQGFYVCZSG-ZFGGDYGUSA-N 474.627 2.913 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1359260367 BSXUTEFKVNETFR-FQEVSTJZSA-N 463.517 2.963 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN(C(C)=O)C1 1359279024 PSWWMVSEEOHIID-INIZCTEOSA-N 465.396 2.933 30 10 JFEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)Nc1ccc(C)c(C)c1 1359305728 LISSRHKDMCSELH-KRWDZBQOSA-N 470.484 2.970 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCSC1 1359327431 AMUOIXUIKBSYLE-CYBMUJFWSA-N 460.423 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359331360 WNJBHMJUBBGGTK-SFHVURJKSA-N 474.612 2.592 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N(CCC#N)CCC(C)C)CC1 1359400347 JAWCVGBAQMRNSD-UHFFFAOYSA-N 473.025 2.924 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O 1450774893 VZGQXKICYCBXSF-HOTGVXAUSA-N 450.333 2.587 30 10 JFEE N#Cc1ccc(OCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1Br 1463834182 DTYOSKITGGGBDB-UHFFFAOYSA-N 456.300 2.785 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507629755 PKGHBAAIITTZAO-LJQANCHMSA-N 487.626 2.875 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSC(F)(F)F 1507667192 JWBZRVLFCMMUSC-UHFFFAOYSA-N 460.485 2.908 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507695463 ZHBMZSRWXWYMDR-FQEVSTJZSA-N 476.503 2.841 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)n(C)c1=O 1507705680 GCWIIIMWUZZCSS-UHFFFAOYSA-N 476.400 2.911 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1507721851 MPADXFXCHRNJMV-NRFANRHFSA-N 490.608 2.627 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC3(CCCCC3)O2)CC1 1507735946 JQAVTXFSIYSTPB-RBBKRZOGSA-N 487.645 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2c(C)nn(C)c2C)CC1 1507736083 LHTJTEKGTISHMR-IBGZPJMESA-N 493.587 2.922 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507796867 BOKXIIDWXSNSRG-BZSNNMDCSA-N 464.492 2.826 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1507836931 DXCWESGOIMCSBC-BQFCYCMXSA-N 469.633 2.509 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507852696 CBNGTVZBNMCXPS-QGZVFWFLSA-N 464.973 2.956 30 10 JFEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCNS(C)(=O)=O 1507856368 HARWNUDBTBRKRP-UHFFFAOYSA-N 466.764 2.585 30 10 JFEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1507988717 PMQGIELXTAZGMA-INIZCTEOSA-N 476.599 2.951 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1CC(=O)N1CCOCC1 1508034945 YEHXZBWRQOILNZ-UHFFFAOYSA-N 453.518 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1508082517 SZPLTHCUTXHALH-UHFFFAOYSA-N 479.585 2.684 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(C)C)C1 1508095453 PDMOFGNUMSIECE-HSZRJFAPSA-N 479.673 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508136152 SAEWRGMQQUUJDN-NHCUHLMSSA-N 494.683 2.824 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ccccn2)CC1 1508143173 KCGPZIUGCOTGSS-UHFFFAOYSA-N 496.637 2.796 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508149517 AWDSZIXXZWDQKP-HNNXBMFYSA-N 480.436 2.995 30 10 JFEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508168057 SFQLCYQXTNKYSB-INIZCTEOSA-N 486.063 2.900 30 10 JFEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C2CCCC2)CC1 1508367970 HSTVIBIARDLREL-UHFFFAOYSA-N 479.629 2.956 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1508423003 HSFPEVKXYHGGMG-YJBOKZPZSA-N 454.472 2.867 30 10 JFEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)CN1CCCC1 1512392203 IFOQSHCDKRUDNP-IBGZPJMESA-N 465.602 2.518 30 10 JFEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1Br 1518104555 HUOUSWLZDUZJJX-KBPBESRZSA-N 482.404 2.747 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(OC)cc2C)c2ccccc2Cl)C1=O 1523527989 VYBIEMRNRDBHKD-FQEVSTJZSA-N 455.898 2.839 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539024597 XQFIPAGVLCDXFE-IBGZPJMESA-N 478.597 2.785 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)c1 1539043238 OHKUQUIODMCOJK-UYAOXDASSA-N 487.651 2.522 30 10 JFEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539072298 OWWBIKWTZQAZEE-OAQYLSRUSA-N 473.599 2.502 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1539206922 XDTAHRKSOJDGDQ-OAQYLSRUSA-N 497.665 2.537 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1539232700 MPSJPFYVBIHJMI-UYAOXDASSA-N 470.618 2.915 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539519444 GUBRXIKCAGKYEY-OAQYLSRUSA-N 450.616 2.755 30 10 JFEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1539599277 CFRYWXVVRRXPJP-INIZCTEOSA-N 492.484 2.652 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCCC1 1539631117 IYMIWBNBTOUTLB-JBACZVJFSA-N 481.663 2.751 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1539644630 PDEWRQQXYGINEA-JTAQYXEDSA-N 453.587 2.755 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2nccnc2C)CC1 1539706297 FYDCORCAAHGJOW-LJQANCHMSA-N 484.605 2.588 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1539902554 KEZAWTMMJYMPBW-CYBMUJFWSA-N 477.557 2.879 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1540086908 HEDPAGKDXWIDQV-QGZVFWFLSA-N 450.568 2.945 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1540137907 WQSWCMHZGQGECT-ICSRJNTNSA-N 495.646 2.838 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCS(=O)(=O)C1 1540187612 SADYWSUTLGIFOS-HXUWFJFHSA-N 455.584 2.917 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1540854027 AFVWHCKRGUJUMO-INIZCTEOSA-N 475.619 2.836 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccon1 1540903175 ZWANSIIGERZFEU-QGZVFWFLSA-N 494.618 2.618 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1540922447 OHRUTJUWYHXLIM-QZTJIDSGSA-N 471.693 2.588 30 10 JFEE CC(C)(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCN(c2ccncc2)CC1 1541175083 FECIBXOGMBAFPJ-DEOSSOPVSA-N 454.598 2.916 30 10 JFEE CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1547141040 FHUMOPUCLSAOLZ-UHFFFAOYSA-N 497.625 2.947 30 10 JFEE CCn1ccc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]3C(N)=O)n1 1548377612 RPCKTLKVVCSDID-GOSISDBHSA-N 474.487 2.638 30 10 JFEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1cc(C)n(C)n1 1548380117 OKGHSOYCDSYNLX-HXUWFJFHSA-N 488.514 2.866 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1558331924 MULAYZNYJXJTHK-CQSZACIVSA-N 452.017 2.779 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnc2n1CCC2 1587581237 YLMNSTDCLPGGTK-ZDUSSCGKSA-N 456.348 2.760 30 10 JFEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1587754402 CYGDMWJPJNQJJX-IBGZPJMESA-N 485.658 2.927 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1587822986 IOTVOBFNFBBBDG-WMLDXEAASA-N 456.490 2.918 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCC[C@H]1C 1588258843 JUWISZBCJYVVDU-NJYVYQBISA-N 454.619 2.996 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1588811654 LPNXVAVLAOOYBG-HXUWFJFHSA-N 458.607 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC(=O)N[C@@H](C)CC)CC1 1588899831 XQMUZVJAAAZGEV-SFHVURJKSA-N 476.581 2.962 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccc2F)CC1 1589496611 YUBYZJQPRAKBSC-DYXWJJEUSA-N 474.581 2.844 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCS(C)(=O)=O 1589516305 ZIIUOVXMLYSWEY-NQIIRXRSSA-N 455.584 2.955 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1589608207 CXXINNBPGXBDJV-HXUWFJFHSA-N 499.431 2.668 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1593722491 RJBVSHQTACBBMO-SFHVURJKSA-N 462.572 2.670 30 10 JFEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1594023737 OEVPVRXIQOKYIE-AWEZNQCLSA-N 454.394 2.637 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1594180757 DLAAPJXIPOQWGO-ROUUACIJSA-N 452.669 2.801 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCn2cccn2)CC1 1594202331 MAOUDFZWUFNHMM-UHFFFAOYSA-N 469.615 2.885 30 10 JFEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1594720665 SLIHXXFCPCMEEE-QGZVFWFLSA-N 470.599 2.825 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1)C1CC1 1595058710 UJPPIZPVEHLRPW-FPOVZHCZSA-N 490.649 2.710 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1595204675 IYHSSRQPTCPVOT-FGZHOGPDSA-N 450.587 2.790 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCC1 1595550262 AVKOZUVLJNCQGO-GOSISDBHSA-N 462.595 2.658 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595772954 KNPXZLWPDXVDAT-ZDUSSCGKSA-N 472.398 2.520 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595838042 JIDGXFIIEHNNPX-SFHVURJKSA-N 456.572 2.707 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1595871805 ZOUUDPHXUGIOTE-UHFFFAOYSA-N 453.572 2.827 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1nnc2n1CCCCC2 1606951316 BMACKQZYHSIRFI-UHFFFAOYSA-N 453.595 2.646 30 10 JFEE N#Cc1ccc(CN2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)s1 1615557898 AFOCAFBKPOFBIS-UHFFFAOYSA-N 454.415 2.974 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1617906673 HQLHNULOFYGEIT-IBGZPJMESA-N 498.634 2.745 30 10 JFEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1618514498 HZQACLIWEHXWBB-IRXDYDNUSA-N 461.611 2.903 30 10 JFEE Cc1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1C(=O)N(C)C 1628372359 FEQXKDBTEXYOBS-LJQANCHMSA-N 456.568 2.789 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1628431169 ISVQEUGZHFHDSN-WMZOPIPTSA-N 457.015 2.614 30 10 JFEE CCOc1ccc(N2CCN(C(=O)NCc3ccc(OC)c(O[C@H](C#N)CC)c3)CC2)nn1 1631591576 HYBWGNTXKBZZEG-SFHVURJKSA-N 454.531 2.597 30 10 JFEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)C1=O 1635209308 AYCZELGKQVHWJO-HXUWFJFHSA-N 457.552 2.663 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c1 1637772934 SAABWVVQZWKXGN-GOSISDBHSA-N 454.317 2.849 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](CF)C(=O)OC)c1 1638028493 DAGPOEMFXGJNNY-SFHVURJKSA-N 454.907 2.962 30 10 JFEE C#CCN(C(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1)C1CCN(C)CC1 1639164924 DHNDDLGHYKKBGU-UHFFFAOYSA-N 450.539 2.983 30 10 JFEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCN1CCN(Cc2ccccc2)CC1 1653480261 CLMMBRABTKZWJU-UHFFFAOYSA-N 452.502 2.673 30 10 JFEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(C#N)cc1C(=O)OC 1654966664 KWCRKUIKOAKODN-HXUWFJFHSA-N 456.520 2.696 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1ccnc1C 1689860594 DFGRSKUFYBUPOR-JOCHJYFZSA-N 460.630 2.696 30 10 JFEE C#CCCCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689941084 JFMIIVZYVWVKSL-KSZLIROESA-N 471.562 2.732 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1689947268 CWLLEGBVPXNHLJ-XMMPIXPASA-N 459.591 2.955 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689989378 FAWBPBJGPABVBB-IPJJNNNSSA-N 488.610 2.623 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCC(F)(F)F 1690019654 OBSCYIFGHZGSLO-MRXNPFEDSA-N 487.548 2.955 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCCO[C@@H](C)C1 1690035547 CLFAXLHYERMENP-SFHVURJKSA-N 473.419 3.000 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1690150433 HGLOCWIRDOXVHK-HXUWFJFHSA-N 477.531 2.997 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690212282 GKWNDUVQRDEAOR-YIXXDRMTSA-N 494.640 2.801 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690240805 KVXVDBYCHICCAG-XZOQPEGZSA-N 494.640 2.662 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1OC 1690245163 DLMXERGXZXADGM-KNKQGSTJSA-N 490.626 2.685 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1690310133 UXIWZAOWTHKGQG-IBGZPJMESA-N 469.977 2.674 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690352535 HCPQGYBXKSLPNF-NRFANRHFSA-N 462.913 2.563 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1690578456 YFFKCDXZNFVVIT-UHFFFAOYSA-N 499.547 2.827 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(N)=O)CCOCC1 1690613894 XLRIBCBZLHQOIZ-UHFFFAOYSA-N 451.930 2.659 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690642581 WTTHESAWJCVACS-MOPGFXCFSA-N 497.662 2.609 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)(F)F)n2)C1 1690684314 CWCPEOWHQNSMNN-INIZCTEOSA-N 450.465 2.758 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(N(C)C)CCOCC2)C1 1690690047 QEMSAAKJJSUQDT-HXUWFJFHSA-N 456.547 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690718974 CUVXGOFECXEHLQ-OALUTQOASA-N 476.599 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1690722652 QOXIVMWLFRWEGG-UHFFFAOYSA-N 467.599 2.798 30 10 JFEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1691472360 ATGXALUTIDSENL-FQEVSTJZSA-N 466.586 2.632 30 10 JFEE C[C@@H](CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1)c1nccs1 1692686327 CXROQOWBRQCCJS-KRWDZBQOSA-N 468.583 2.967 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1705563856 HBGIMNCTDNFPPH-LJQANCHMSA-N 455.971 2.863 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1705564065 KNGXAUGRAJUZMS-ROUUACIJSA-N 462.019 2.567 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C(N)=O)nc1 1705623149 IEBPEYFUCIWKTD-INIZCTEOSA-N 464.595 2.760 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(SC)CCOCC2)CC1 1705646929 UHHHJNPUOMMXNK-UHFFFAOYSA-N 483.638 2.832 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705666217 RXQURGBQOJUBFZ-MBSDFSHPSA-N 458.584 2.616 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOCC)CC1 1705701550 CFCPFEHHAANMTI-DHIUTWEWSA-N 450.587 2.956 30 10 JFEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705727234 PCYDUVVXLOBKCI-UHFFFAOYSA-N 468.650 2.533 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1705778493 YCRHPMVHTMJPDH-UHFFFAOYSA-N 451.531 2.518 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705799996 LKPWAPBRDCCJGV-UHFFFAOYSA-N 463.590 2.728 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705937017 FPDNJLAOCLZSDG-OAHLLOKOSA-N 477.578 2.604 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1705939832 NRNXIEYODYWIQW-AOIWGVFYSA-N 465.645 2.774 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCCS1(=O)=O 1706743217 FUNVRTCNJWJLNY-GOSISDBHSA-N 484.582 2.891 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1706933502 GJTYSGJRJGVODF-QFIPXVFZSA-N 473.603 2.924 30 10 JFEE C[C@@H]1CCC[C@](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)(N(C)C)C1 1708024974 GJNAXGUEDNVBCH-JLGINSKQSA-N 470.643 2.951 30 10 JFEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1711123409 BDDHIVDHCDKESQ-UHFFFAOYSA-N 487.515 2.834 30 10 JFEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1712185932 AECDBYWDZUUGAH-IBGZPJMESA-N 457.600 2.894 30 10 JFEE CS[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712725958 HZDARTFXOZTUAG-SFHVURJKSA-N 476.610 2.871 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CCC)C(=O)C1 1722319502 NLLVVJZTKIHHQH-UHFFFAOYSA-N 464.618 2.704 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1722343843 FAVBDLFHUCEUCR-MBSDFSHPSA-N 459.591 2.835 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1722370597 OYVKSVOQAIAFDG-QGZVFWFLSA-N 466.991 2.562 30 10 JFEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(C)CN(C)C1=O 1722385581 LEQATQNCMPYXQB-DEOSSOPVSA-N 453.974 2.803 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)c1ccc(C)s1 1722397454 SCOROZZNHIAZOO-UHFFFAOYSA-N 485.610 2.819 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722429872 XDWVQULPPYKTJZ-QHCPKHFHSA-N 465.598 2.933 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[C@H]2CCOC2)CC1 1722433764 FWOZWVBSQDTNFM-KRWDZBQOSA-N 474.403 2.898 30 10 JFEE 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JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722731752 QRBLUXVSOXDBOG-RTWAWAEBSA-N 474.627 2.938 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722740367 OJMSXWXIUMUZTA-GOSISDBHSA-N 460.579 2.623 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722744481 SDKFPHZEGPKAPD-PMACEKPBSA-N 463.648 2.760 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1723982049 BOBGWTJBIWOICK-PXNSSMCTSA-N 470.549 2.935 30 10 JFEE CC1(C)COCCN1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1724030655 FXNUVAHUSOZKIC-MRXNPFEDSA-N 493.381 2.686 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)c1C 1724062907 DWPPVIDBMNHPGV-SBUREZEXSA-N 466.521 2.630 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCn1cc(Br)cn1 1740548089 DASHMYRPPILYCM-CYBMUJFWSA-N 460.336 2.513 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1740553674 TZFWQIANYJNEQQ-DLBZAZTESA-N 460.600 2.633 30 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C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1740931662 AAVLCZCULCSPCZ-DENIHFKCSA-N 487.626 2.746 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccco1)C(C)C 1740959727 DEADMXLSLWXLSU-LJQANCHMSA-N 488.589 2.897 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[S@](=O)C(C)(C)C)C1 1740983753 PDPUQIIOCRJIII-ZYSBOAIWSA-N 465.645 2.598 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(OC)CC1 1740993072 SEHZPEYCWKGKGS-QHCPKHFHSA-N 472.615 2.513 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1740993310 XEGARFMXUCPTET-UHFFFAOYSA-N 496.637 2.590 30 10 JFEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1746148272 DHHFWYRBZVBDTJ-FQEVSTJZSA-N 458.570 2.527 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1748684517 KVRMBEYSNKTZHB-CVEARBPZSA-N 481.416 2.902 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748802104 LCNYFJRNOKLQBK-LEWJYISDSA-N 499.637 2.589 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748809364 LSFJQSNWISKGNN-RDGPPVDQSA-N 460.575 2.915 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748820470 CFAKOEGPKDSBQA-UPVQGACJSA-N 483.682 2.955 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1748824744 SKPZLNKENSQSRH-IEBWSBKVSA-N 480.537 2.600 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@@H](C)C1 1748950920 PVFMEIRKYZWTEN-MOPGFXCFSA-N 459.616 2.718 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(N(C)C)CCSC2)CC1 1748984213 JHLOGRHKLHKBSA-JOCHJYFZSA-N 489.487 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCCC2)CC1 1749016039 XJDCOWWKLVLTGK-UHFFFAOYSA-N 478.641 2.926 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1749068092 CPXPNFOUUCIHFE-NTKDMRAZSA-N 469.590 2.669 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749087402 UMVCGJKZBIOIBW-IRXDYDNUSA-N 480.411 2.806 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCO)Cc1ccccc1 1749119098 NKRUSCPCYDSSNU-IRLDBZIGSA-N 462.554 2.906 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(OC)cc1 1749132006 XDMHVXCSUYPPNO-IPJJNNNSSA-N 490.626 2.685 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1749155740 JYVZWONPNPNRDJ-OAQYLSRUSA-N 452.603 2.923 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749216194 KOLZFOKLFLXAJF-UHFFFAOYSA-N 492.580 2.912 30 10 JFEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1749260211 NLYVXFPSGWOVQG-UHFFFAOYSA-N 458.975 2.912 30 10 JFEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749406690 MEDJLJQOWLJZOC-UHFFFAOYSA-N 480.613 2.793 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1749664052 VUKIOKAMEXCPCB-QGZVFWFLSA-N 461.526 2.796 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1O 1749681745 HPCWXLSXVYTVBD-SFHVURJKSA-N 470.574 2.994 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1 1749682967 FFOLSHKYOUJYEI-ZACQAIPSSA-N 465.645 2.832 30 10 JFEE CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1750658848 BZNXKGMKNJWJOB-HXUWFJFHSA-N 457.600 2.629 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(Cl)c1 1750964986 ACPUQGCJAAJDBN-UHFFFAOYSA-N 464.961 2.711 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1760152588 RCUFAQUXQSKSMY-GOSISDBHSA-N 461.570 2.570 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760181472 VXGCSFNIIKUMAI-CYFREDJKSA-N 472.611 2.522 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@@H]1CCS(=O)(=O)C1 1760189265 TWMYACGEIRKHQE-CYBMUJFWSA-N 490.939 2.626 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1cccc(F)c1 1760205831 KXNGCAUFZBECAP-UHFFFAOYSA-N 459.529 2.743 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnccc2OC)CC1 1760258838 CKTCYFNTRSWGJM-HXUWFJFHSA-N 495.628 2.600 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)c2ccccc2)CC1 1760265159 PQJVSGZUUXURAY-UHFFFAOYSA-N 493.518 2.683 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(CCO)Cc1ccc(Br)s1 1760281567 OPLLYMKGFDCWIZ-CQSZACIVSA-N 471.446 2.971 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760412923 UPOXYMFBBHAWOO-OAQYLSRUSA-N 496.612 2.566 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)C(C)C 1760489768 JMVBQKSAEFUNHE-KJJMTIBFSA-N 456.635 2.933 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)cc1 1760529262 BKNKHKKHMZQSKA-FQEVSTJZSA-N 475.615 2.603 30 10 JFEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760532898 IKDQFHCPOAUXHS-QFIPXVFZSA-N 453.587 2.917 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760557185 CALIQFVCNBEAKF-UHFFFAOYSA-N 492.734 2.606 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1761362512 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C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 1868781946 CIRRJYKHAUKWJV-NZQKXSOJSA-N 479.650 2.874 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2Cl)c(=O)cc1CN1CCC(C(N)=O)CC1 1870644640 IWFOBCCUHCSWEL-UHFFFAOYSA-N 472.973 2.711 30 10 JFEE COC(=O)c1ccc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SCC(N)=O)cc1 1874327032 RVJBXTNVZRCRLF-BHGWPJFGSA-N 453.524 2.720 30 10 JFEE N#Cc1cccnc1OCC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 1892130152 RTHIKXLJPYMXNM-UHFFFAOYSA-N 474.608 2.733 30 10 JFEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)N=c1[nH]ccc(C#N)c1[N+](=O)[O-] 2140760180 NUXKJMNUMLSFNK-UHFFFAOYSA-N 464.523 2.893 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@@H]1CCOC1 2180987723 SAITZOKCXBDXMO-KDOFPFPSSA-N 464.343 2.993 30 10 JFEE CC1(C)OB(c2csnc2CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)OC1(C)C 2227250647 CDLJZQVLDFPYIU-YADHBBJMSA-N 455.433 2.918 30 10 JFEE CN(C)CCN(Cc1ccccc1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255799920 OLNAMPDVMCGUIK-UHFFFAOYSA-N 464.462 2.941 30 10 JFEE 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491.573 2.971 30 10 JFEE C[C@H](O)[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757403393 UEIXIIUFJGWYJT-ITEAAPOESA-N 465.506 2.538 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@]1(C(=O)O)CCCOC1 757466599 NOSMALSIIYCWTK-WNCULLNHSA-N 476.529 2.915 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1ccc(F)cc1 1083964209 ASGWELKALSCDTA-UHFFFAOYSA-N 460.407 2.937 30 10 JFEE C=CCCSCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1130881609 LJOFBCGFZNWFPP-UHFFFAOYSA-N 454.614 2.674 30 10 JFEE COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1191090310 WVMDHIWCZAORPY-CYBMUJFWSA-N 460.350 2.591 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)Cc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1204714075 MCZCDKAKBKXAGL-HXUWFJFHSA-N 452.559 2.902 30 10 JFEE C=CCn1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)nn1 1252076422 FOVLJMGFXOVSGO-IBGZPJMESA-N 456.547 2.976 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286342287 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479.672 2.945 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCCC1=O 1540136925 MWHVBMUSTXYFBE-FQEVSTJZSA-N 454.550 2.964 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C(C)=O)CC1 1540153207 AVNHNKLSLGOFQO-UHFFFAOYSA-N 460.586 2.678 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)SC 1540201510 WHWMOSPIEUYHEC-SJORKVTESA-N 455.625 2.977 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1540856475 AZYZPKRKFBBCJK-INIZCTEOSA-N 496.431 2.524 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1540864384 YBSBJAPOOVTNGG-QGZVFWFLSA-N 490.450 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540901228 WUQICFLTSHAUIP-SFHVURJKSA-N 480.034 2.500 30 10 JFEE CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1546027628 GORRZMHRFHTIJB-SFHVURJKSA-N 476.585 2.882 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)CCc2ccc(OC)cc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367883 UDEZRQXGMNJPQB-NRFANRHFSA-N 474.483 2.982 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480.638 2.564 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1588046010 VQEXZPMFOOKUKB-FQEVSTJZSA-N 467.595 2.552 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1588930151 ONCKTUCSSVNUFM-QPPBQGQZSA-N 478.641 2.658 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](OC)c2ccccc2)CC1 1588955274 URPJURCVKZYFAW-QHCPKHFHSA-N 458.566 2.617 30 10 JFEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1589048096 UFKPCZJUOSOFKY-UHFFFAOYSA-N 453.660 2.701 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1589198380 TYILEFSBGWWINL-XMMPIXPASA-N 464.595 2.939 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1589306181 XYBJMPJKCFTXJF-CXAGYDPISA-N 462.348 2.586 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1595785192 TUNPWJPQKNQVHS-UHFFFAOYSA-N 483.638 2.706 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCCOC2)C1 1595823697 QZDPRHRCBUPXIE-HSZRJFAPSA-N 460.600 2.773 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 1595838384 QMUSNKFDYDBISB-UHFFFAOYSA-N 450.559 2.940 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1595884057 GOOXDXCDKQQVPX-MRXNPFEDSA-N 483.610 2.704 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1611768980 HJNQWHKEMUHSLK-NRFANRHFSA-N 494.017 2.580 30 10 JFEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1619712009 CRAPFRZTZSSAMU-FQEVSTJZSA-N 478.519 2.943 30 10 JFEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)[C@H]1CCCc2ccccc21 1620613956 VYEIXRBVNFPXNE-NRFANRHFSA-N 455.580 2.897 30 10 JFEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 1623968745 CEYFGCKOELWLPX-FUHWJXTLSA-N 451.445 2.920 30 10 JFEE C=CC(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)(c2ccccc2)CC1 1632533215 PMFCTRACFIVMMN-UYAOXDASSA-N 452.555 2.608 30 10 JFEE CN(C(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O)c1ccccc1C(=O)NCc1ccco1 1652170284 BTQHLDRRAKDOQF-UHFFFAOYSA-N 458.396 2.925 30 10 JFEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 1661123209 IEAXMMZVHCDNJK-UHFFFAOYSA-N 453.351 2.810 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 1667927702 GUIVCWFVTJJLTP-GOSISDBHSA-N 451.600 2.682 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1689847840 JSKYUDPYDIIGAQ-KRWDZBQOSA-N 484.626 2.907 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCN2CCSCC2)c1 1689871866 HNAFRCDMJJQMCG-NRFANRHFSA-N 468.627 2.625 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2(O)CC(OCC)C2)c1 1689873266 CJEWSMZJUQNPBR-UHFFFAOYSA-N 479.606 2.917 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1689961032 IMXFLRNRQQCEBB-OAQYLSRUSA-N 490.656 2.579 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1689978266 QPMUMAAFBWYLPM-SFHVURJKSA-N 485.601 2.649 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689993198 XNDXKKILXUQPGC-OALUTQOASA-N 484.544 2.771 30 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CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC(=O)N1CCOCC1 1708507960 AYNJUROZMYVEQG-HXUWFJFHSA-N 465.602 2.629 30 10 JFEE CCN(CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)CCC(F)(F)F 1710143944 CNTJAAXYLOULLT-FQEVSTJZSA-N 455.529 2.918 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)C(C)(C)C 1722282238 YCIMXISEOAQZGN-LHEBDHONSA-N 464.661 2.552 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1722284629 YYMPXJKGHXURCD-ZIAGYGMSSA-N 467.389 2.609 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722318965 IHEJDAHWQLHYBJ-RTBURBONSA-N 479.647 2.819 30 10 JFEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722325169 GDMSGMJHKIDGQZ-HXUWFJFHSA-N 485.610 2.982 30 10 JFEE C#CCCCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1722340734 GVYMTKUVRDCXIJ-VWLOTQADSA-N 451.571 2.696 30 10 JFEE C#CCN(c1nnc(COCC)n1CCc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722371469 WQFPNRDBBJISIR-KRWDZBQOSA-N 470.517 2.703 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC(F)F 1722389029 CPOLTHORIMMZPG-UHFFFAOYSA-N 480.313 2.560 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncc(CC)s2)CC1 1722433187 OHRFOQNZNDMTMS-UHFFFAOYSA-N 460.405 2.858 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1722447681 LVKWUBWZBQKLRL-UYAOXDASSA-N 488.633 2.741 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1722447805 QERFQQQIPSAFPS-RUZDIDTESA-N 492.668 2.824 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)C2CCCCC2)CC1 1722449458 SKDVKFBMNXOHHB-UHFFFAOYSA-N 483.686 2.864 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722460321 FIVFHKLOAWECNB-UHFFFAOYSA-N 452.628 2.859 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1722503366 ZTKBDVHQJSLYPE-KKSFZXQISA-N 452.552 2.509 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@](C)(CC)C1 1722534470 NHXLDJAQJKRFBX-DEOSSOPVSA-N 452.559 2.790 30 10 JFEE 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478.641 2.831 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(Cl)s2)CC1 1690137634 FRROLADZLVOYBA-HSZRJFAPSA-N 492.045 2.854 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1690146337 LOZRJYJYTWQYEN-UHFFFAOYSA-N 460.623 2.699 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCOCC 1690245723 MDWHEUIHVSVZEP-NHCUHLMSSA-N 455.607 2.906 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)CCS(C)(=O)=O 1690246071 QJUCBEPSPVPKSV-YYWHXJBOSA-N 476.599 2.643 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2Cl)CC1 1690375808 VAJABPWSUSDJMR-LJQANCHMSA-N 483.997 2.803 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(CC)C(=O)C1 1690663469 XUVYAUBZSZMVPN-UHFFFAOYSA-N 456.616 2.636 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)C2(OC)CCOCC2)C1 1690684605 JHMCFDOKGDSZID-KRWDZBQOSA-N 492.527 2.538 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)N2CCOCC2)C1 1690692019 PNTUMNPYIZSOOP-KRWDZBQOSA-N 490.402 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30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722551925 IHXAVPFGXKNPGW-IKGGRYGDSA-N 471.986 2.579 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1722636141 YEXPEVPETDLVNO-ZPHPHTNESA-N 457.332 2.856 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722686460 ZJNDRSNAPJOYEC-INIZCTEOSA-N 455.625 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722749644 HXGVYZXZZLWDQU-HDICACEKSA-N 482.050 2.745 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740581070 OSHYNKRHHMWYIA-UHFFFAOYSA-N 481.988 2.894 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740587088 XYKFCUKPONRITN-UHFFFAOYSA-N 463.542 2.501 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1740621806 PHYVTUCUYRCXHU-SJORKVTESA-N 471.608 2.841 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(CC)C1CC1 1740653107 AAFPVMQYSDPNEA-UHFFFAOYSA-N 457.582 2.622 30 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488.610 2.624 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748819129 LFFYOKRJNRBLEQ-HXUWFJFHSA-N 471.533 2.877 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1748986616 DJZXZLGVVGUIJT-OAQYLSRUSA-N 452.632 2.578 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749022487 BKBOOEVVSHQPOQ-OLZOCXBDSA-N 474.450 2.660 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1749123594 GNNNDFMQHBAAMT-FPOVZHCZSA-N 454.575 2.786 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1749174921 HKXXZISRBFMIQY-KRWDZBQOSA-N 459.620 2.618 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1749285805 XXZZSIZBNWKOGV-QHCPKHFHSA-N 466.630 2.968 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(C)nn1C 1749600819 PNSBHWPSFXQRLZ-HDICACEKSA-N 459.595 2.778 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749640167 BICLBNWQYPDSOK-UHFFFAOYSA-N 451.531 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498.550 2.921 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)CN1CCOCC1 1286538295 LUUBZQYCHHMRQJ-UHFFFAOYSA-N 495.422 2.709 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)NC)CC1 1286559444 WPBALDBFYKMTBL-OFNKIYASSA-N 453.587 2.821 30 10 JFEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286591569 GQGAOYHNILDVEP-LJQANCHMSA-N 486.642 2.890 30 10 JFEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)(F)F)CC1 1286663463 MKLIMAYDQXKQCO-UHFFFAOYSA-N 478.523 2.533 30 10 JFEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1286678596 AIVFSNDTELUYST-DEOSSOPVSA-N 473.625 2.834 30 10 JFEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286712598 DRXVESNHPCNELA-GBXCKJPGSA-N 484.620 2.590 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1286746345 VZFXDKLPTIXVSZ-HXUWFJFHSA-N 453.568 2.825 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1286792814 IVWRUXUSYWBKJR-UHFFFAOYSA-N 463.991 2.915 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)Cc2ccccc2)C1 1286803537 DIDRZKZOYXNOMZ-OAQYLSRUSA-N 453.568 2.736 30 10 JFEE C=CCSCCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1286834542 GKCKAPGVXMFPHB-VLCRHTCISA-N 452.621 2.624 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)CC(F)(F)F)S(C)(=O)=O 1286976716 GBWNZWWWZBXSCI-CVEARBPZSA-N 486.564 2.959 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2ccsc2)N(CC)CC)CCOC1 1296662461 DBOJULOAPATSCT-MIZPHKNDSA-N 474.631 2.804 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1300310913 PUWMUMANEMEQFH-HKUYNNGSSA-N 457.579 2.640 30 10 JFEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300353361 JJJOESZZFHFMMS-UHFFFAOYSA-N 450.587 2.502 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1300484860 UXYVYHQCISXQIN-FQEVSTJZSA-N 484.578 2.813 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300604024 AYULJEWZIYXXSK-IBGZPJMESA-N 467.492 2.685 30 10 JFEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1300645952 DJXLMGSCKUUJAG-HXUWFJFHSA-N 466.464 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CC2)CC1 1300712899 XOKKUUQBNNMNDC-UHFFFAOYSA-N 468.989 2.627 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1300725923 GKGYUKRETPDRAS-UHFFFAOYSA-N 486.624 2.519 30 10 JFEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1300881822 CEDOCACQNBWFTH-DENIHFKCSA-N 466.586 2.707 30 10 JFEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301221937 QDSWOLFZOIMGDU-IBGZPJMESA-N 496.678 2.831 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 1301575014 AHMSOTMWPDUOBX-UHFFFAOYSA-N 475.615 2.732 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@](C)(CC)C1 1301575341 FEYMQQQULJRNAF-HSZRJFAPSA-N 470.599 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(c2nccs2)CC1 1301589117 NVOURIFOCVHWOR-KRWDZBQOSA-N 451.618 2.613 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC(C)CC2)CC1 1313698889 DMKHPHYXLFSCNN-UHFFFAOYSA-N 492.672 2.539 30 10 JFEE CN(CC1CCCCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1314798659 HWKXRXISIMKBKZ-UHFFFAOYSA-N 487.626 2.685 30 10 JFEE Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)N2CCOCC2)o1 1352530837 DNEGAXXPEMTEOH-PXNSSMCTSA-N 456.930 2.656 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CCC2)c1 1358902070 DSNRHGXAXZFUOQ-UHFFFAOYSA-N 471.627 2.890 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCSC2)c1 1358902361 LPCBNWXRJBGFJT-XMMPIXPASA-N 462.579 2.573 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(C(=O)NCC)CCC2)c1 1358902797 ZMLCZHKHXKFLOI-NRFANRHFSA-N 478.597 2.882 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 1358913574 RKAOPIPURUGZEW-SFHVURJKSA-N 482.576 2.777 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](OCCOC)C1 1358921064 OBFXNSZFOFSOSK-IBGZPJMESA-N 474.631 2.592 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)cc1F 1358949416 BAJZOPYHVNOWLF-LJQANCHMSA-N 459.522 2.852 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358958184 JGYGLPKFEHOQIP-GOSISDBHSA-N 495.443 2.885 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358960754 KYXWEBJZLXEIJP-FQEVSTJZSA-N 465.579 2.641 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CCCC1 1358995112 FPRMTHYZLOYRAJ-UHFFFAOYSA-N 454.596 2.698 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2c(C)nn(-c3ccccc3)c2C)n1 1359027301 DMCYJGNKIAMUAC-UHFFFAOYSA-N 458.570 2.920 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)cc2OC)CC1 1359045249 AKPIVVMXRGOXFJ-UHFFFAOYSA-N 453.587 2.898 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1359144382 GZMGUMKDZOBXDO-UHFFFAOYSA-N 483.985 2.694 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1)c1ccccc1 1359196050 WMUCGJAFPRZUAX-MZYLBHOOSA-N 487.670 2.697 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359296013 UIVDDHQMRYEADV-UHFFFAOYSA-N 480.642 2.940 30 10 JFEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359298671 INONTSQYQHQMSX-IUODEOHRSA-N 461.448 2.531 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1359302922 YCOROBIFEBRSDT-YPSMLTEGSA-N 472.640 2.871 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359334137 UPIQYIZMGIJLKB-NRFANRHFSA-N 487.651 2.683 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1359334863 SRKWBZKOECMXGT-UHFFFAOYSA-N 492.715 2.908 30 10 JFEE C#CC[C@@]1(C(=O)NC[C@H](Cc2ccccc2OC)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1466267605 ZJGRFNGJSGBBQV-DFBJGRDBSA-N 458.555 2.936 30 10 JFEE C=C(C)C[C@H](NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1)C(=O)OC 1471123420 DZPQFKMYUQISPE-CJNGLKHVSA-N 453.333 2.541 30 10 JFEE CC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1nnc2n1CCCCC2 1473640411 AGTBDRBTNSMJSD-SFTDATJTSA-N 453.566 2.593 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458.538 2.825 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1507794015 GGBZYEFHSRFPOP-VGSWGCGISA-N 490.004 2.883 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1507838049 JONJNGXAVDLSBE-UHFFFAOYSA-N 467.574 2.819 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507848113 UYGNOKXHKQEDLY-GOSISDBHSA-N 475.615 2.637 30 10 JFEE C=C(Cl)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507875405 SGKQIPFCGVGTPI-XHSDSOJGSA-N 474.027 2.815 30 10 JFEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1507964538 BYTNYYANWDXGOR-UUOWRZLLSA-N 454.575 2.960 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508059123 LPTXFVATLNBVGI-DLBZAZTESA-N 478.594 2.876 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1508091758 OYAPWOUCECLEAE-IBGZPJMESA-N 476.622 2.558 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508163192 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BZONSAKWHRBJFU-NHCICSSKSA-N 471.627 2.797 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539585866 CJVIPAZPXZPAOE-AWEZNQCLSA-N 458.382 2.521 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](COC)C1 1539620100 JGGJICGQFTYKFC-KYJSFNMBSA-N 466.380 2.869 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539623029 JORGTCKSHYJCHS-DYESRHJHSA-N 477.606 2.926 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1539642057 OURAMPUJDRHQFR-WMZOPIPTSA-N 459.513 2.691 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1539729727 RPCYYKVBLVZJEQ-UHFFFAOYSA-N 464.588 2.568 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2Cl)CC1 1539847571 HTRYQHLNRIQIGF-LJQANCHMSA-N 466.007 2.664 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1540119942 AJBOTCQCTURHKX-RDGATRHJSA-N 499.637 2.819 30 10 JFEE CC(=O)N1CCC(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1540953176 SMIXUEHPUJRNGU-GLDPYIMESA-N 489.596 2.749 30 10 JFEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)s1 1542399416 DQCAEZDAFMZOJU-KRWDZBQOSA-N 457.581 2.770 30 10 JFEE C#CCN(C(=O)Cc1nc(C2CCOCC2)n[nH]1)[C@@H]1CCOc2ccc(Br)cc21 1543686107 TZWDFQRFVRRMKJ-QGZVFWFLSA-N 459.344 2.989 30 10 JFEE CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 1561577460 IEIKWLIHFVCRKG-MUUNZHRXSA-N 454.595 2.546 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 1585593814 PFEDIQPCHZWURZ-UHFFFAOYSA-N 450.535 2.971 30 10 JFEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)cnc2Br)CC1 1587691193 POLRZADCWRRJDK-UHFFFAOYSA-N 451.122 2.836 30 10 JFEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1587711603 BWVNEHNBSMOCMQ-UHFFFAOYSA-N 466.405 2.593 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588035393 TWFLQCLAIGEAIK-SFHVURJKSA-N 488.017 2.620 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1588923828 NGZOVOVVIIKVJR-JOCHJYFZSA-N 492.653 2.846 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC(C)C)C1 1589036943 RPVMRIOKHBSQFF-IBGZPJMESA-N 458.584 2.713 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 1589295174 DKELISYNVQWDIJ-WBVHZDCISA-N 468.421 2.866 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589708451 NEWYSPGEABXEOX-FXAWDEMLSA-N 468.558 2.866 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1593703062 BMSBXVILHBKTEI-GHTZIAJQSA-N 455.559 2.612 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1594545179 RFAVZNATWHTOCH-FCHUYYIVSA-N 485.654 2.987 30 10 JFEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)C1 1594807599 UAGUMFSQIVAJIP-MRXNPFEDSA-N 450.634 2.773 30 10 JFEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1594813041 NEPICKOTGGPQLU-SFHVURJKSA-N 476.622 2.652 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1595302949 IICLFNGRCMQKOP-SFHVURJKSA-N 465.595 2.530 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)C1CCC2(CC1)OCCO2 1595778333 XXEXQZKOCALINN-UHFFFAOYSA-N 460.600 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccccc1 1595789252 PXVWPWXQXAXLSO-MRXNPFEDSA-N 457.556 2.804 30 10 JFEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595890529 XOTFLZOKDVKITC-SFHVURJKSA-N 487.033 2.973 30 10 JFEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN(C(C)C)C(C)C 1614079030 CKLIANUMCBODFM-NRFANRHFSA-N 453.591 2.562 30 10 JFEE C=CC[S@@](=O)(=NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccccc1 1618588405 CKULCFACLZOABO-LJAQVGFWSA-N 451.570 2.932 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C 1625751623 AWIOJDKWKHUBHS-KRWDZBQOSA-N 451.589 2.686 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NC3CCN(c4cc(CC)ncn4)CC3)ccc2c1=O 1630829416 IBRKERIAYKLDPD-UHFFFAOYSA-N 450.568 2.622 30 10 JFEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1635916879 FOAVAUYGEJIKPD-UHFFFAOYSA-N 453.449 2.824 30 10 JFEE CCN(CCOc1ccc(Br)cc1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1644707261 GULLIIXGTBVVPW-HXUWFJFHSA-N 451.409 2.842 30 10 JFEE N#Cc1ccccc1N1CCN(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)CC1 1662125249 CBMMBUSRQPHWFK-UHFFFAOYSA-N 454.552 2.865 30 10 JFEE C=CCc1cc(CNC(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc(OC)c1OC 1677641412 NFVXYHLYGCTNKZ-SFHVURJKSA-N 451.564 2.802 30 10 JFEE C=CCC[C@@H](NC(=O)N1CCN(CC(=O)NCCOC)CC1)c1ccc(C(F)(F)F)cc1 1680856404 YPUJFVBEVKAFNG-LJQANCHMSA-N 456.509 2.803 30 10 JFEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)c1ccc(F)cc1 1686916999 BEYVBKMTTOKERA-INIZCTEOSA-N 455.433 2.633 30 10 JFEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NCC#C)CC1 1689878896 YKOSYKNJBOXLCI-UHFFFAOYSA-N 471.403 2.815 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1689991903 DRTFBUVDNZDRFQ-ATIYNZHBSA-N 496.633 2.922 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689995871 BIQDHXHNBVTXBM-TZIWHRDSSA-N 474.627 2.853 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)nc2ccccc12 1690000192 VDEGGWKKXRXXJK-UHFFFAOYSA-N 451.490 2.603 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCC(=O)NC1CC1 1690035517 BAKTWBORPDSHKO-UHFFFAOYSA-N 457.376 2.568 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(=O)N1CCOCC1 1690198459 OOIXVERJHGPKBJ-AREMUKBSSA-N 481.597 2.982 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1690398842 IBVQBTDOOBZDGU-XMMPIXPASA-N 474.627 2.926 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1690428096 DHOUVYJLPIDGJY-UHFFFAOYSA-N 451.575 2.755 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1690580700 DLZYFGOMGGZBKX-PXDATVDWSA-N 451.619 2.841 30 10 JFEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1690640908 QXTCJQXQRHACJJ-UHFFFAOYSA-N 479.585 2.928 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCOC2)C1 1690712612 ZKWMMSZCITUPSV-GHTZIAJQSA-N 479.375 2.552 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1690725550 UMKQDHZWOULBDF-LJQANCHMSA-N 486.667 2.809 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)[C@H](C)C1=O 1692430698 HVPZNVDXHQLLHU-KBMIEXCESA-N 466.586 2.991 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1c(F)cccc1OC(F)F 1692781638 GTSYRKRRZNIQFU-ZUOKHONESA-N 486.520 2.807 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCOC1 1694354135 BQFINSVPYOPSSE-NQIIRXRSSA-N 452.559 2.683 30 10 JFEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1705523141 SKQSZBLMCFVOCH-UHFFFAOYSA-N 468.989 2.933 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705564862 RCJGAGSYKGJEAZ-OAQYLSRUSA-N 465.579 2.608 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705569622 ITLBFUUKUZTZPV-OAQYLSRUSA-N 494.621 2.511 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1705570775 QTLQYCWAXIXMOM-KRWDZBQOSA-N 452.527 2.753 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC1(N2CCOCC2)CC(OCC)C1 1705594890 VTVLANADRKKDNB-UHFFFAOYSA-N 477.609 2.687 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCCN2CCCC[C@@H]2C)CC1 1705648874 BGSCVYHOKGDICK-NRFANRHFSA-N 465.646 2.904 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN2CCOC[C@H]2C1 1705654668 PRQLAYZAIJERLW-CQSZACIVSA-N 468.446 2.656 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705727218 ODCKLHNZRBNDEB-UHFFFAOYSA-N 456.532 2.792 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705735334 NVIKYGMRDSFJBI-FQEVSTJZSA-N 457.575 2.937 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1705755421 UCKCDPZHKQQGNJ-SFHVURJKSA-N 495.024 2.930 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705756080 PBCKLJHIOGXKBD-INIZCTEOSA-N 466.964 2.936 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1705778109 KBVIKHAOLDLJES-HNNXBMFYSA-N 468.421 2.883 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CCc3ccccc3)C2)CC1 1705781298 VTZWRKGABWOXTL-NFBKMPQASA-N 486.686 2.855 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1705897024 DSIPWPBJGPPYKA-WBVHZDCISA-N 469.521 2.935 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1705913137 FKLDLBTZIGSZKK-ICSRJNTNSA-N 460.600 2.655 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1705935942 HBRGYECVRZPGBD-FCHUYYIVSA-N 479.691 2.721 30 10 JFEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC[C@H]1C 1712008202 ADXKYTXNEHLUOV-NTKDMRAZSA-N 454.575 2.716 30 10 JFEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CC1 1712332411 GPUVEXPDLHBEEQ-SFHVURJKSA-N 484.626 2.870 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1712458999 FDAYNTVXOQIRPS-GUDVDZBRSA-N 467.636 2.530 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CSCCS2)c1 1722310050 RTAHLSNLYPJLBF-GOSISDBHSA-N 465.608 2.640 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1722354260 BUIBGPQLOAGEDC-UFYCRDLUSA-N 460.623 2.776 30 10 JFEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722356880 VKKCQERCDCISSX-LJQANCHMSA-N 451.493 2.622 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722359725 AGGPHHRJJAYXRO-HXOBKFHXSA-N 455.584 2.604 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722360812 JZYLDCVDFDIPIH-MRXNPFEDSA-N 459.959 2.610 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1722360819 KCICUKTUMNNFEP-HNNXBMFYSA-N 492.424 2.839 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722363147 DIFQIWOTAQCLPB-JMJGKCIBSA-N 470.639 2.998 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1722363610 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30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)C)C1 1748876365 CMJYWWUIQXQULF-NRFANRHFSA-N 457.586 2.504 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(CC)CC 1748891975 HOMGCEAKVCJWNH-LEWJYISDSA-N 473.668 2.788 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1ccco1 1748953282 JBRKVQDPOKSHJN-UHFFFAOYSA-N 472.343 2.817 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(F)cccc2SC)CC1 1749008813 GKFOIWREKLMJJK-UHFFFAOYSA-N 465.558 2.610 30 10 JFEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749023224 PNMHQFRVQOCJCI-GOSISDBHSA-N 484.651 2.686 30 10 JFEE C=C(Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1)c1ccccc1 1749243883 ALMDXQPJRWTSFM-QFIPXVFZSA-N 453.587 2.865 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749368752 PGFDEDZLJGNHBZ-IRXDYDNUSA-N 478.619 2.867 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1749660441 PHMYCKQSYVBZDI-FQEVSTJZSA-N 489.580 2.814 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)N(C)C)C1 1749700892 NLECELHGJSPTQW-OAHLLOKOSA-N 474.414 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1749730391 CBHMZGWLVKODAC-RBUKOAKNSA-N 470.643 2.957 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749754956 UKKJFQZYWCWEIM-GJZGRUSLSA-N 476.628 2.771 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC[S@@](=O)C(C)(C)C 1751339334 GWJOEAXOCKFVOP-IBADJEFMSA-N 479.676 2.690 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cccnc1N1CCOCC1 1760220623 QISRSYJPEZELHF-UHFFFAOYSA-N 476.531 2.890 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760246084 JOBISHQBLFAHAP-SFTDATJTSA-N 465.577 2.686 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2nnc(CC)s2)CC1 1760257877 BMXDSUMAKRRHAI-UHFFFAOYSA-N 481.626 2.960 30 10 JFEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C(CC)CC)N(C)C)CC1 1760259433 BCGNFBNIUVDFOE-QFIPXVFZSA-N 476.629 2.716 30 10 JFEE 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O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1 585832508 DSFFNGWKHKYKGU-WBEMSYCWSA-N 456.480 2.955 30 10 JFEE COc1ccc(/C=C/C(=O)[C@H]2CNCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 585855253 ZVGPXNVQCYTEHD-NNIASQDCSA-N 453.495 2.911 30 10 JFEE CC(=O)c1cc2c(cc1NC(=O)CSc1nnc3n(N=Cc4cccs4)cnn13)OCO2 1083845944 UCOAVBAPDUBFSM-UHFFFAOYSA-N 469.508 2.532 30 10 JFEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2N)o1 1083984032 LBMVZLWRPRVJQO-UHFFFAOYSA-N 456.557 2.882 30 10 JFEE CCC(=NNc1nnc(SCC(=O)Nc2ccc(OC)c(OC)c2)n1N)c1ccccc1 1084526409 CPTFROKNAJXQOR-UHFFFAOYSA-N 455.544 2.966 30 10 JFEE C=CCN1CC[C@@H](N(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(OCC)cc3)c2)C1=O 1139239149 IBYRSBIVUWFWIJ-OAQYLSRUSA-N 457.552 2.745 30 10 JFEE C=C[C@](C)(CCOC)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1141996005 FYJDZDUNTHWQII-LJQANCHMSA-N 456.324 2.804 30 10 JFEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 1153261769 BQCKGLDNNAPOAQ-UHFFFAOYSA-N 459.395 2.771 30 10 JFEE 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C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(C)CN(C)C1=O 1286460508 OBJDYBBKXFZWHM-FQEVSTJZSA-N 480.794 2.925 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2c(C)noc2C)CC1 1286474144 CBYBLVINOSLWRR-UHFFFAOYSA-N 464.570 2.955 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cccn(CC)c2=O)CC1 1286474611 NOVPVOXVZYLAHU-UHFFFAOYSA-N 454.937 2.723 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)c2ccccc2)CC1 1286485684 UTWPHNBMRWMKPZ-IBGZPJMESA-N 450.587 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(=O)NCC)CC1 1286493685 WTXKKMGFEOBDLO-UHFFFAOYSA-N 494.640 2.602 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1286501059 KWZGNUNBNFUHBV-UHFFFAOYSA-N 457.600 2.633 30 10 JFEE C=C(Br)Cn1c(N2C[C@@H](N3CCCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1286548243 VEXUVVYEQILKJP-CRAIPNDOSA-N 467.456 2.863 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286592290 WXNQNPAAAMXLCD-GOSISDBHSA-N 463.586 2.992 30 10 JFEE 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C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722724430 WRRJZTZLRMEUFM-VGSWGCGISA-N 481.018 2.974 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722742269 NWAACBPRLKKMFI-UHFFFAOYSA-N 455.675 2.957 30 10 JFEE Cc1ccc(-c2nc(CCn3c([C@H]4CCS(=O)(=O)C4)nnc3N(C)C[C@H](C)C#N)co2)cc1 1724280727 CQLHKDUVLJQVJO-MJGOQNOKSA-N 468.583 2.982 30 10 JFEE CCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCC(C)C 1728586214 BCJCCSWKRHJZLG-VQTJNVASSA-N 450.653 2.821 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C 1729619203 GRFAQELAJQISON-MRXNPFEDSA-N 455.563 2.502 30 10 JFEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)C 1729895950 BCYJFBJOUFSHPF-DEOSSOPVSA-N 482.629 2.948 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740545180 KVNXXZXPWATFOH-HLNWXESRSA-N 452.559 2.822 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1-c1ccccc1 1740550516 QUIKMKLZZCYDOJ-QUCCMNQESA-N 492.584 2.673 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCCC2)c1 1740565264 PLZPMLKNNRPMTL-UHFFFAOYSA-N 461.570 2.501 30 10 JFEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1740619721 QWSLRVDBTCURTA-CVDCTZTESA-N 493.029 2.567 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740623502 VKLRMLSBBGOEJD-WOJBJXKFSA-N 491.658 2.962 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740623875 CCGWEAQYHBMKNG-RTWAWAEBSA-N 475.684 2.822 30 10 JFEE C#CCN(c1nnc(CC)n1CC(CC)(CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740628315 XDZXWBRMRICURI-KRWDZBQOSA-N 467.636 2.551 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1740670485 QFWUKUWZDFNJQP-RTBURBONSA-N 479.647 2.819 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1cccc(Cl)c1 1740684643 XQRSPMNEQSRRQC-HSZRJFAPSA-N 471.945 2.653 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1cc(C)oc1C 1740685491 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C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740969351 NIHSHRHPLCFICX-AEFFLSMTSA-N 478.519 2.915 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1740986448 YFGPIKYMFKQZDR-HNNXBMFYSA-N 479.553 2.517 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740987203 QPXDGXXXKUYXFH-SXLOBPIMSA-N 490.582 2.750 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740991020 MIQVJGCJYPDAGG-SJLPKXTDSA-N 467.636 2.886 30 10 JFEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1741002660 KDGHBFUBJHNXAF-IIBYNOLFSA-N 466.583 2.948 30 10 JFEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](COC)C1 1746365992 IDKODKFRDQXPKT-LJQANCHMSA-N 450.547 2.641 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)cs2)CC1 1747391670 FNGKFHSBCZKMIA-UHFFFAOYSA-N 486.623 2.946 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCC(C)C)c1 1748690436 RKTGONURTDDLQZ-AREMUKBSSA-N 480.613 2.758 30 10 JFEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1748703527 RZCBPWAZQOOSDC-UHFFFAOYSA-N 477.569 2.891 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1748807872 CXYAOOBLHFMZPO-OAQYLSRUSA-N 499.637 2.712 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748811175 CWCPMHBRNGYZPI-HNNXBMFYSA-N 456.490 2.923 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748823831 CDKOBIZXVHEWDM-IBGZPJMESA-N 479.002 2.564 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCC[C@@H](C)C1 1748970772 RMVXBFXCHIAWMO-NJYVYQBISA-N 474.650 2.867 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCC(=O)N2CCCCC2)CC1 1749000611 ZHONRMFTDWDLLE-UHFFFAOYSA-N 464.614 2.577 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749032825 RAVCFRLFJDCLBL-OAQYLSRUSA-N 453.660 2.620 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749135835 IJRDNKJHVVNNLS-KPLVRAHFSA-N 473.599 2.579 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749187370 DWBIOAMLLYDJBE-HZPDHXFCSA-N 458.588 2.509 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1749342570 IVDRPCIOOKZYLX-SFHVURJKSA-N 476.599 2.657 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccs2)CC1 1749602256 FNJQPMANDJKIQH-HSZRJFAPSA-N 452.584 2.992 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnnn2C)C1 1749696409 UABBZDBWPLQELM-HNNXBMFYSA-N 462.327 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CCc2cccs2)CC1 1749732088 PHSQORXBAIQXTH-UHFFFAOYSA-N 463.673 2.963 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H](c2ccsc2)O1 1752387436 GIKGBJMUSYRGPX-OXQOHEQNSA-N 487.607 2.801 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760191613 KORYXFWRMLGCOM-HXUWFJFHSA-N 483.663 2.952 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)c1ccccc1 1760201032 ZKXBYQZVKHXENV-NRFANRHFSA-N 462.579 2.699 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760215672 JNVUXDBIZXYOCB-XMMPIXPASA-N 456.594 2.752 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCOc1ccc(Cl)cn1 1760248886 SAAYVIWMLAVGAF-UHFFFAOYSA-N 479.928 2.807 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)COC)CC1 1760273538 XPWITAWMRLIDMG-WOJBJXKFSA-N 459.635 2.835 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCCNC2=O)CC1 1760284940 VLDSEZKGPMBDJH-UHFFFAOYSA-N 468.627 2.628 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 1760317352 FETDCXAHGZOZJQ-SBHAEUEKSA-N 460.600 2.945 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760342402 ACJYMYWAMUDHMS-AWEZNQCLSA-N 484.420 2.762 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760359706 URVPBNRKIPPYMX-UHFFFAOYSA-N 459.616 2.794 30 10 JFEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760444049 VONSSRWXKZACCE-UHFFFAOYSA-N 456.566 2.707 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@H]1CCCS(=O)(=O)C1 1760483207 ISOKAGLIJQJDON-QGZVFWFLSA-N 456.547 2.892 30 10 JFEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760512672 YLIYIUXBBHATDN-UHFFFAOYSA-N 468.602 2.915 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C2CCCC2)cc1 1760530398 SXJRPDKWBMQHEI-QFIPXVFZSA-N 489.642 2.993 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)C1 1760542676 JGGHBSNMKIPQNZ-MOPGFXCFSA-N 465.595 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1760548732 NXGSJRXEZVTJDW-MSOLQXFVSA-N 458.588 2.543 30 10 JFEE C=CCSCCn1c(CC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1760565924 HOQQCZAFZCJUPX-KRWDZBQOSA-N 499.703 2.668 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 1760619970 BUWPPARRXDBFLZ-AREMUKBSSA-N 479.629 2.622 30 10 JFEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN(CC)C(=O)OC(C)(C)C 1763098049 AGKNIXOPPUWJPT-UHFFFAOYSA-N 454.579 2.691 30 10 JFEE 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457.581 2.945 30 10 JFEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccc(C#N)cc2F)cn1 730724412 POPHHMAYJUQFIR-SFHVURJKSA-N 478.513 2.864 30 10 JFEE C=CCC1(C(=O)O)CN(C(=O)C[C@H](O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757505448 LBQAMAAITWMHOK-KRWDZBQOSA-N 464.518 2.765 30 10 JFEE C=CCOc1ccc(/C=C/C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 917407900 BYWKVVVDSZCBNR-PKNBQFBNSA-N 473.570 2.811 30 10 JFEE O=C(O)CC[C@H](C(=O)O)[C@@H]1C(=O)/C(=C\c2cn(-c3ccccc3)nc2C(=O)O)SC1=S 1081127812 CKHDEPMCJCKOOM-SFPHSEHVSA-N 460.489 2.737 30 10 JFEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(N(C)C)cc3)n2)c1OC 1084518431 AZUKOPCWWQTEIP-UHFFFAOYSA-N 469.571 2.742 30 10 JFEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 1125941324 GWZNHPDOJWATAC-UHFFFAOYSA-N 458.559 2.686 30 10 JFEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(C)C 1144198136 VFDNZHDLUFBTCD-QGZVFWFLSA-N 458.422 2.833 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)CC1 1155495661 XVHIFLVICIXCDM-UHFFFAOYSA-N 459.955 2.742 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1251248619 CMBWOEPUPCYVBU-SJORKVTESA-N 475.405 2.748 30 10 JFEE C#CCCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286336541 YSLZFIHFCVMGPJ-ZRNYENFQSA-N 470.618 2.815 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1286381918 PLBAEWMDMKAPSL-QUCCMNQESA-N 487.651 2.527 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286391615 FFFOLWQTOYKJMH-IEBWSBKVSA-N 479.002 2.531 30 10 JFEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286392963 DDJVMEWKSJUMAM-IFMALSPDSA-N 486.638 2.960 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[C@@H](OC)C(F)(F)F)CC1 1286478622 BVLPOPVQSLFCTH-RTBURBONSA-N 465.476 2.513 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2c(F)cc(F)c(F)c2F)CC1 1286489953 IMTOZGOHAFRMLT-UHFFFAOYSA-N 474.462 2.854 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1286564088 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492.026 2.933 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689986179 KIWMPPRGIYWEJN-SFHVURJKSA-N 464.035 2.956 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689986937 ZVCGIZXYOVWMFU-WMZOPIPTSA-N 457.531 2.507 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689988965 ZQROAZBCVANXIW-FQEVSTJZSA-N 471.627 2.872 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689994207 UDEXZURPNCVAEO-FYYLOGMGSA-N 469.655 2.564 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1690201366 HHLAALMYNIANGQ-HSZRJFAPSA-N 453.568 2.758 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1 1690239193 SSTODMWQOKCKQZ-TZIWHRDSSA-N 457.600 2.943 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCOCC1 1690258821 VOLMGGXTQXBUTO-IBGZPJMESA-N 461.632 2.719 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccs1 1690525700 OIBMUTNQJFATDZ-UHFFFAOYSA-N 452.588 2.566 30 10 JFEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690634745 RICUFFWTNDSYIF-SFHVURJKSA-N 451.535 2.552 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1690666621 ATGXZLMKVVZHFB-UHFFFAOYSA-N 480.613 2.921 30 10 JFEE C[C@H]1CCc2sc(-c3nnc(N(C)C[C@@H](C)C#N)n3CCC(=O)N3CCOCC3)cc2C1 1690995086 CLCRCBGDKTXWGS-IRXDYDNUSA-N 456.616 2.976 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1695907582 HIBAVHFZPJPCCO-UHFFFAOYSA-N 493.641 2.720 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCOc1cccc(C(F)(F)F)n1 1705490577 MSETUBVFWZXZNJ-ZDUSSCGKSA-N 462.432 2.957 30 10 JFEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705511166 KKAPTXXOFOGLEY-UHFFFAOYSA-N 450.587 2.502 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705547036 QCWWHFZLYDPFQA-CYBMUJFWSA-N 459.314 3.000 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1705550883 AMOLDLFEYZVAAF-SFHVURJKSA-N 473.599 2.839 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCN1CC 1705587989 RBJMLYFRAVUALW-HBMCJLEFSA-N 454.619 2.996 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCO[C@H]1C 1705593402 QHCQWPXMYSCGNX-BTYIYWSLSA-N 461.335 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C(C)C)CC1 1705645047 JUEDZGOYPYBUFL-VWLOTQADSA-N 459.635 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2cc(C)cc(C)c2)CC1 1705647219 APXYGVKIZKVBDD-QFIPXVFZSA-N 465.598 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1705649885 GYSDYJGQKZNIJG-XMMPIXPASA-N 455.990 2.758 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2oc(CCC)nc2C)CC1 1705650791 YUAHFNNARMAIDB-UHFFFAOYSA-N 481.626 2.897 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1705655918 RCGFFFFDZIVLPU-LAUBAEHRSA-N 489.667 2.566 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C 1705659057 KFLZRCXMHUXFAZ-MRXNPFEDSA-N 452.584 2.562 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nc(O)c2sccc2n1 1705664477 QDMKDTFWAPKQPN-UHFFFAOYSA-N 468.612 2.853 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCCCC)CC1 1705690047 JDBWRRIBQPXUPG-UHFFFAOYSA-N 481.439 2.832 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCCC2)C1 1705906644 LEHRMDWWWZORHH-UHFFFAOYSA-N 464.570 2.961 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705906859 QWMHKFVEOFNXNW-JOCHJYFZSA-N 492.628 2.901 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)c1C 1706980082 AISLKZSHLCGPEL-ICSRJNTNSA-N 473.599 2.589 30 10 JFEE CCCOc1ncccc1Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709871714 GATUXPMVJLNGQB-UHFFFAOYSA-N 477.617 2.949 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1710365735 HZCJZZWXIBROGQ-DEOSSOPVSA-N 480.525 2.508 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)C[C@@H]1C 1712492565 CSQJFGPEHFJEQG-URVUXULASA-N 468.602 2.558 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722322746 NKFQYEBPBRRGOV-MOPGFXCFSA-N 456.591 2.965 30 10 JFEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722330662 VXRHBXZCZIQPCH-FGZHOGPDSA-N 473.625 2.857 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1722359887 QORDIUUYRFNSEP-HNNXBMFYSA-N 473.917 2.877 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722370821 FBBZZSTZUAKWTF-UNMCSNQZSA-N 488.654 2.760 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nc2cccc(Cl)c2n1C 1722373314 HDTMRTRGNGPRRX-DEOSSOPVSA-N 466.973 2.980 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1722430784 JHLOBBYHZPQWBO-UHFFFAOYSA-N 463.586 2.858 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1722523540 YIPQHKPYSBPRPW-HNNXBMFYSA-N 481.981 2.511 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(=O)N(C)C)CC1 1722567545 CANLAFRCOKDXKM-GOSISDBHSA-N 462.595 2.611 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722620634 PTOWBWFSOMSNTE-UHFFFAOYSA-N 476.463 2.754 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1722692389 KNMXNCKYPBTTTG-AWEZNQCLSA-N 475.391 2.605 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1722731035 BMYGCBMYQXMJNE-GOSISDBHSA-N 490.626 2.755 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)CCC(F)(F)F 1740610835 MKZJKURARFALRU-QGZVFWFLSA-N 488.555 2.930 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740613294 BCIIGCVZMNHBSW-LJQANCHMSA-N 453.587 2.719 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740622049 STMZVSZXDUAQMB-RTWAWAEBSA-N 472.659 2.565 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740624283 FCKBTNFLKTZWRW-UXHICEINSA-N 462.591 2.696 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1740626887 WTELJVNUZRJSAN-IBGZPJMESA-N 461.657 2.812 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCOCC2)nc1 1740686396 RYOZKEILJFAERM-UHFFFAOYSA-N 482.535 2.513 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCSC2)CC1 1740691278 YJKSGHCBWSHAMX-VGOFRKELSA-N 462.019 2.695 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCN(CCC)C2)CC1 1740701467 IFAKJONKZKDLCE-GOSISDBHSA-N 470.021 2.691 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)CC)CC1 1740703157 HXFCMNCWBAOIMR-JOCHJYFZSA-N 474.403 2.834 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC=C(COC)CC1 1740711899 WVBCOFSNGGJNMH-UHFFFAOYSA-N 474.656 2.696 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H](C)C(=O)NC 1740755368 ZTXFKQIRMPXPII-FIKGOQFSSA-N 457.575 2.762 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740757875 SDJCCAVFXYOUPO-VWPQPMDRSA-N 488.658 2.738 30 10 JFEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740791800 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1749135981 KDYNWEQZNQUFCG-OXJNMPFZSA-N 480.585 2.638 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1749380866 AWRBOTGDPJXNAU-GHTZIAJQSA-N 488.658 2.695 30 10 JFEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC)C1CC1 1749528390 NRCPGQSOFSTAHO-IYBDPMFKSA-N 453.609 2.638 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749658800 PJYNHHWMZUCLGR-OAHLLOKOSA-N 468.558 2.782 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)CCOC)C1 1749711839 CWVLSZOAIUUPPL-NBGIEHNGSA-N 493.649 2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749725406 SUBVDUFMOULYNN-KRWDZBQOSA-N 458.506 2.876 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCN(c4cccs4)CC3)n2CC(=O)NCC(F)F)c1 1750381738 CSEHCDICWYQGTO-UHFFFAOYSA-N 457.510 2.586 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1750749994 GPTBVVHUDNLWED-UHFFFAOYSA-N 493.637 2.663 30 10 JFEE 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491.633 2.776 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539717741 VTOSODUZDJRLCV-HXUWFJFHSA-N 468.602 2.575 30 10 JFEE C=C(C)Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539733633 IFHZOKSWNPMZLX-FQEVSTJZSA-N 459.513 2.790 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1539759240 ZEDPHZSRPFLEDC-SFHVURJKSA-N 488.658 2.993 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OCC)c2)CC1 1539874406 MEICJHPFXLLSQU-MRXNPFEDSA-N 463.604 2.746 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539929301 RMNPAOBPZBZEQC-RUZDIDTESA-N 475.634 2.608 30 10 JFEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540020778 MULGDOOZMJZMSS-AEFFLSMTSA-N 460.966 2.878 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1540071778 NBWDGTRRULOLSP-ROUUACIJSA-N 467.636 2.982 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccc(C)cc1 1540077364 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30 10 JFEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)c1C 59831044 NUSFSBGDNXGKEU-WYMPLXKRSA-N 484.586 2.676 30 10 JFEE CCN(CC)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59887708 VQCLIVLWOISULQ-YDZHTSKRSA-N 485.618 2.633 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N3CCCc4ccccc43)cc21 526836142 IDTQZFUOEOAQLJ-JGCGQSQUSA-N 452.532 2.509 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N(C)Cc3ccccc3)cc21 586312639 HQMUUZAQCKMFHI-IQVDJAOASA-N 454.548 2.577 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 745058683 KIVUHKBOIUTGAB-UHFFFAOYSA-N 467.482 3.000 30 10 JFEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccc(Cl)cc3)c2)c1=O 748065013 FVBXWNMGNVFCNB-UHFFFAOYSA-N 450.951 2.807 30 10 JFEE CCC(=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1 1083897948 YVPBEBCPOGGQLF-UHFFFAOYSA-N 473.584 2.799 30 10 JFEE COc1ccccc1CN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1197299690 ADHCIOLUMAEFGI-UHFFFAOYSA-N 450.358 2.836 30 10 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30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)CN(C)C)CC1 1286474165 CVOCBYRNTXOPSD-UHFFFAOYSA-N 454.619 2.695 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 1286484793 XSDGGGOMBVWXQQ-UHFFFAOYSA-N 464.545 2.982 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286497370 QPBKDQUCSIKVKP-FUHIMQAGSA-N 457.575 2.981 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286504791 UGHCDMBXWNAEOI-NZQKXSOJSA-N 496.681 2.699 30 10 JFEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286535237 GVQDSVIBWXYSJS-INIZCTEOSA-N 495.397 2.676 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC2(CCC2)C1 1286603847 AOEIXDOUBIABFB-UHFFFAOYSA-N 475.615 2.547 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286604664 WBKIYOUWAKOKSS-UHFFFAOYSA-N 492.983 2.504 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286633363 JJZIMCNXQKQBLP-SFHVURJKSA-N 462.913 2.515 30 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453.609 2.940 30 10 JFEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705888817 WGYYEHWSTUVPBI-UHFFFAOYSA-N 484.420 2.762 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCOC[C@H]2C)C1 1705914978 RBFQMJNHGRZXHY-IFMALSPDSA-N 468.602 2.649 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCCO[C@H](C)C1 1708738694 FFEQLGVBWWOAFS-NTKDMRAZSA-N 459.639 2.827 30 10 JFEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cc4Cl)CC3)n2C[C@H](C)N(C)C)CCOC1 1710477517 AFTUMHVXTKJQSF-UUOWRZLLSA-N 488.036 2.732 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCO[C@H]1C 1712452284 FNTDCQMWEJBPKX-YCRPNKLZSA-N 494.390 2.623 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722325297 ILGSUCAKRDARJO-MBSDFSHPSA-N 458.584 2.536 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722367253 LLOQZUUHEMSNCM-UGKGYDQZSA-N 488.610 2.624 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)CN1CCCC1 1722376517 RFBGHHLQFYIOPS-UHFFFAOYSA-N 481.670 2.741 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1722393681 HUSMKLVSOVJGIS-UHFFFAOYSA-N 454.578 2.808 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722485862 OGKLYTGRLIBYEM-NRFANRHFSA-N 484.358 2.540 30 10 JFEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722486924 GWDQBLBZAXHVKV-CALCHBBNSA-N 479.467 2.766 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@H]1C 1722491551 AOJKWXZWOVCULJ-CLCXKQKWSA-N 477.407 2.694 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722495917 UNLVVQBDMZEUIV-LMQGHGSNSA-N 460.600 2.537 30 10 JFEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1722578243 DUYNWXYPWKTXGV-UHFFFAOYSA-N 454.556 2.620 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722581243 BRCDUGJSVCHBCL-GOSISDBHSA-N 484.667 2.795 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722696529 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C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1286522612 MGOPJCZYSPKNFS-IQGLISFBSA-N 488.633 2.883 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(OCC(N)=O)CC1 1286564727 NZLLYWSPJFDNPY-HYBUGGRVSA-N 453.587 2.515 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1286638358 ZGRAYTUPLRFMNF-KRWDZBQOSA-N 461.636 2.765 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ncc(C)s2)CC1 1286662998 DDOVKHHHQPSXFT-QAPCUYQASA-N 480.660 2.582 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)CC1 1286663117 GTDHUCNRDIXNIX-MRXNPFEDSA-N 451.980 2.710 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1286688660 SFWUCGNNDMJRJL-NHCUHLMSSA-N 493.605 2.684 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1286710851 FFVZCJSIZDJXBB-XLIONFOSSA-N 482.553 2.629 30 10 JFEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccc(F)c2)nc1 1286713893 JYMCUPCFSSAJKI-HNNXBMFYSA-N 460.535 2.885 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1286726202 BJHLJSHIINJNFS-LJQANCHMSA-N 453.547 2.905 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(C)(C)C)C1 1286779618 KRJJLGMJMVFVGG-INIZCTEOSA-N 465.396 2.600 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 1286796015 HJQKXIOUXGRJSG-NRFANRHFSA-N 466.586 2.537 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)CN(C)C)C1 1286802859 DTQMHBIKRVOPNI-LJQANCHMSA-N 489.690 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286817011 NNWCENPYDYGMJN-OAQYLSRUSA-N 470.599 2.649 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286817089 PFDMAJZHBGVZDZ-IERDGZPVSA-N 466.991 2.584 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286827700 XMWDWCABQRHKDF-UHFFFAOYSA-N 471.052 2.678 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)C1 1287786662 CBCZQVQVSWHVKL-JOCHJYFZSA-N 488.596 2.790 30 10 JFEE CO[C@]1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C[C@@H](C)C#N)CCOC1 1299808755 GAVFGRKKLZTCLS-SBUREZEXSA-N 462.595 2.794 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCn2cc(Br)cn2)c1 1300336719 MPOFHTURXXLREO-UHFFFAOYSA-N 486.374 2.530 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC(C)C)nc1 1300460018 NDKYXOMDTNPCDC-UHFFFAOYSA-N 453.572 2.538 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1300489018 ZDBHXBKQEQULAO-PMACEKPBSA-N 452.584 2.735 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1300706570 PZNSWKPACJUSIU-UHFFFAOYSA-N 482.629 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCc2nnc(C)s2)CC1 1300719119 PAGYVYPPPJDUFX-UHFFFAOYSA-N 479.610 2.712 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cn(CCCCC)nc2C)CC1 1300719741 OIPKYIPTZDTGIT-UHFFFAOYSA-N 462.602 2.982 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(Br)ccc2C1 1300762669 LKXOEBIWQVLCDU-KRWDZBQOSA-N 495.468 2.872 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300834390 OQABUNBFMUUNPK-HOCLYGCPSA-N 465.304 2.985 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300887533 CTDPRKJESLXSNO-VIZSFHNOSA-N 474.627 2.872 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCO[C@H]1C 1301338124 QXXKLYLOXSCHJA-CPJSRVTESA-N 466.586 2.881 30 10 JFEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1301453969 IJMPJOQGZWUAIT-QZTJIDSGSA-N 463.586 2.899 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301492089 XGVYLHJFDWJBBF-UHFFFAOYSA-N 472.018 2.988 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)nnc1C(C)(C)C 1301518890 KTAHGTZSFVJXLM-UHFFFAOYSA-N 452.603 2.719 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@@]1(OCC)CCOC1 1301518900 KUBCYDQDPZINLW-OAQYLSRUSA-N 451.930 2.661 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301529464 JPWQWCLRCSQIJY-MJGOQNOKSA-N 464.574 2.937 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1 1310130417 BNDHCNBJFUNTAP-HNNXBMFYSA-N 455.544 2.864 30 10 JFEE CO[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C 1315191096 HUPOJICXZHWMLF-LJQANCHMSA-N 489.584 2.580 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1358884984 ALGLQZOVIFCBNG-KRWDZBQOSA-N 484.564 2.925 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnccc1OC 1358885460 KOVIIAUUDRXPHQ-KRWDZBQOSA-N 457.538 2.975 30 10 JFEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1358945826 WALCVMGYHSJZNI-FQEVSTJZSA-N 455.513 2.556 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358959927 SGRWQHHJWQZGSU-QGZVFWFLSA-N 491.042 2.882 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1359014696 SYIILAXKSLVMKQ-IBGZPJMESA-N 452.559 2.957 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1NC(=O)CC1(C)C 1359014962 CUTWTZVCMWKVJY-FQEVSTJZSA-N 468.577 2.890 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)[C@H](C)CC 1359019580 YTCGGEYXXOUAIZ-FOIQADDNSA-N 452.397 2.929 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)CC1 1359030111 OKTFDFIBHSRLNN-KRWDZBQOSA-N 451.493 2.824 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1359063870 GMFYQPUTIQSTDO-VBKZILBWSA-N 451.980 2.591 30 10 JFEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359085068 AGQZJFXKVHNEJD-ZBFHGGJFSA-N 450.312 2.851 30 10 JFEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359285842 SAMGWUZWGCMJIT-DENIHFKCSA-N 482.629 2.917 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359289138 FHIGHPOQHZJMKN-UHFFFAOYSA-N 450.568 2.808 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(Cn2cncn2)CC1 1359295089 PVUIQNRBVUQKML-UHFFFAOYSA-N 499.417 2.826 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1N1CCCC1 1359304091 KZWNQRYDNLONDJ-UHFFFAOYSA-N 462.602 2.679 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccccc3OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359306231 ZOPASJUDXMBDTM-CLOONOSVSA-N 469.586 2.623 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(c2ccnn2C)CC1 1359333644 FIELUDDZJCFXLG-UHFFFAOYSA-N 468.627 2.896 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)OC(C)(C)C1 1359334992 WQDFSTDROIFXFT-SFHVURJKSA-N 457.600 2.886 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1359557000 AXVVENSSVATXPW-PMACEKPBSA-N 463.542 2.945 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)C1 1359557262 GLBXGTNYVJQQHX-VQTJNVASSA-N 467.574 2.640 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1360476030 GYESSISWLSKTKR-SQNIBIBYSA-N 460.579 2.584 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)N(CCC#N)CC(F)(F)F)c2c1 1361059204 DGGMYPOFXXQWED-UHFFFAOYSA-N 458.462 2.889 30 10 JFEE Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1463792293 CDISNUZLOYHIJP-FQEVSTJZSA-N 450.518 2.772 30 10 JFEE C#CCN(C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1467897852 KNLGWBOPSVXRCL-KDURUIRLSA-N 450.624 2.919 30 10 JFEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cnn2c1OCCC2 1474973444 CGMNIYXMADSFGC-HNNXBMFYSA-N 452.330 2.576 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1502915594 FNBAVEBERCMNFA-VGSWGCGISA-N 477.562 2.523 30 10 JFEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2)C(=O)OC(C)(C)C 1503606880 AKAOGOOERZZKAG-UHFFFAOYSA-N 481.557 2.762 30 10 JFEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)C(C)(C)C 1503975117 DJCCOCIWVPJTFJ-JOCHJYFZSA-N 479.629 2.622 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1507547774 XFWFWMKRPXGTHW-QAPCUYQASA-N 455.456 2.717 30 10 JFEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1507560634 MEMZYJOPNNXUGG-UHFFFAOYSA-N 468.583 2.801 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507639002 IQBYUBCVOIDKIL-WMZHIEFXSA-N 480.638 2.960 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cnn(C)c2C)CC1 1507721975 OAHRZYCIVAMQIC-GOSISDBHSA-N 453.978 2.917 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1507734574 OTTAJFSQXGRUDX-VWLOTQADSA-N 492.668 2.830 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507739285 DWEHJHNQYSIFGS-UHFFFAOYSA-N 487.608 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)CC1 1507739970 HHOIIECCYMESCC-SANMLTNESA-N 476.581 2.510 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1507753075 IJNNFAHXMIEBCA-MRXNPFEDSA-N 488.664 2.979 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507757334 YBZUFRUGBMHWPY-OAQYLSRUSA-N 473.716 2.605 30 10 JFEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1507775067 HTDBAPOYYOKZAP-INIZCTEOSA-N 484.782 2.622 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507781635 FBHBYRKXKDTILZ-UHFFFAOYSA-N 495.378 2.972 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@@H]1C 1507802206 ABAIUOSWBMPSOZ-NEOGFGCTSA-N 459.616 2.993 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(OC)c2)CC1 1507836089 WUOQKJRKNBZNPH-UHFFFAOYSA-N 477.569 2.853 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507875093 NGRBPLXOAGKMCS-OAQYLSRUSA-N 455.003 2.701 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1508048746 XCHBSXAKHBPUPW-UHFFFAOYSA-N 456.553 2.881 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(Br)ccc2C1 1508073973 ZWCTULIFOYZBGY-UHFFFAOYSA-N 496.369 2.553 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1508129479 CNVCXANZRKUDAT-GHTZIAJQSA-N 487.626 2.752 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1516055881 HIBPFPBGZIRDRH-ZWKOTPCHSA-N 494.600 2.949 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cn(CCCC)nc2C)c1 1539041994 APDPSXRWRXKGMO-QFIPXVFZSA-N 488.596 2.639 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)c1 1539043915 WNUHKTWNENFQMU-MBSDFSHPSA-N 487.651 2.522 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)Cc1cnn(C)c1C 1539132436 KTPPAIQMPHHKGT-UHFFFAOYSA-N 460.630 2.735 30 10 JFEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1539204013 XPZNNHISESKWMB-MISYRCLQSA-N 490.029 2.849 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N[C@@H](C)CC 1539263316 FDTGDBMGPVJDMJ-PMACEKPBSA-N 470.618 2.770 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CSCCS1 1539371328 STBXJOBPUGNVGL-DLBZAZTESA-N 467.661 2.895 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1539392699 VDDSTJHUKKJFLD-LJQANCHMSA-N 496.612 2.769 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1539436447 SJJPLDPUJDXSJW-UHFFFAOYSA-N 453.978 2.707 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CC=CCC2)CC1 1539473843 DVVJCFNLZPYXAW-UHFFFAOYSA-N 470.980 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N(C)c2ccccc2)CC1 1539475645 KYYRZBHHXPZSTN-HXUWFJFHSA-N 459.598 2.774 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1539498459 WJSAFXXNCDLZRZ-QGZVFWFLSA-N 467.599 2.895 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1539517219 KHDKIWPDAOPDBB-HSALFYBXSA-N 491.658 2.958 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccc(C)cc2)CC1 1539890208 JYXYBOZRDUDGOP-QFIPXVFZSA-N 489.642 2.791 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1540865942 XIJYEBSVWLKBKH-KRWDZBQOSA-N 458.563 2.890 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@](C)(CC)C1 1540870389 MCPGZFXXORCGHP-HOYKHHGWSA-N 476.622 2.700 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540875834 ZIRZHZIUJQXXGP-KRWDZBQOSA-N 488.564 2.744 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1540900987 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1594520564 APLFRXXLLVNDLA-UHFFFAOYSA-N 469.590 2.698 30 10 JFEE C=CCCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1594774765 MUPCQGSYBYSQRJ-KJOQGJGQSA-N 488.677 2.664 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1595506663 IMBJJCMVFFZGOG-OAQYLSRUSA-N 457.575 2.904 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1595608659 WCMCZUISOOJSCG-UHFFFAOYSA-N 475.597 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1595778194 WYAIXEMHKLCFHT-FQEVSTJZSA-N 496.637 2.835 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1595884499 MDEGAZGQOYJWCX-KSZLIROESA-N 457.666 2.545 30 10 JFEE CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1613607643 HKJTZHKVDPOVKM-OAQYLSRUSA-N 474.569 2.544 30 10 JFEE CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)cc1OC 1614998753 DNHCMGYQVHUVDA-UUOWRZLLSA-N 472.565 2.905 30 10 JFEE C#CCN(C(=O)c1csc(S(N)(=O)=O)c1)[C@@H]1CCOc2ccc(Br)cc21 1617599434 FOTUZVCCJDDFGK-CQSZACIVSA-N 455.355 2.757 30 10 JFEE CNC(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1618801275 GJLZTINDEUBXTK-QHCPKHFHSA-N 459.595 2.659 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)cc1 1619910299 CZWHLGYTBYCERC-UHFFFAOYSA-N 472.347 2.549 30 10 JFEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCC1 1620227222 HYRODIWYSQUZTP-QGZVFWFLSA-N 461.613 2.638 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3ccc(OCCO)c(OC)c3)ccc2c1=O 1622880641 LXZZCBRSCVAJSP-AWEZNQCLSA-N 455.536 2.742 30 10 JFEE C#CC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)C1 1630864700 VKGWNGHMGDVZPP-INIZCTEOSA-N 453.586 2.883 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(N(C)Cc3ccccc3)CCOCC2)c1 1637622841 GSUDGLITVNNCAZ-UHFFFAOYSA-N 454.592 2.895 30 10 JFEE C#CCN1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)CC1 1640654521 VFCQAILRULGTJM-UHFFFAOYSA-N 452.967 2.909 30 10 JFEE N#Cc1cc(S(=O)(=O)N2CCCN(C(=O)c3ccsc3)CC2)ccc1Br 1653708559 ASASPRPAAMHKED-UHFFFAOYSA-N 454.371 2.919 30 10 JFEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@H](S(N)(=O)=O)C3)c2C#N)C1 1657971113 DMAFLHAFQGWSMO-GJZGRUSLSA-N 452.646 2.852 30 10 JFEE CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1686341271 GLJCRPNOODFMOV-JOCHJYFZSA-N 455.509 2.711 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C(CC)CC)N1CCOCC1 1689834943 CHBGELKRJLRHLH-AUSIDOKSSA-N 487.670 2.944 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1689835325 KGMUVWHRSUOSTH-OKYOBFRVSA-N 459.616 2.857 30 10 JFEE C#CCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689933574 RPBFAAFLMNJKRT-RDPSFJRHSA-N 466.605 2.800 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689982628 QYWVGWSRBHJUBT-UGKGYDQZSA-N 482.610 2.633 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689996004 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FPQXUNVDIBZXBP-UHFFFAOYSA-N 478.391 2.595 30 10 JFEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286674086 LLPVIEWEXDXADA-QYZOEREBSA-N 493.674 2.959 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccco1 1286742502 QITHUXFMRONDIR-UHFFFAOYSA-N 456.510 2.766 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286770114 RVXHXVGQNULOOW-KGLIPLIRSA-N 451.369 2.589 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286784045 VCDCGVVWBIELQT-IBGZPJMESA-N 455.559 2.660 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(SC)CCOCC2)C1 1286799369 VIDSATOMHSIMHV-QGZVFWFLSA-N 458.588 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1286818101 BSRVKDSWMWRQLX-UHFFFAOYSA-N 487.601 2.598 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccsc1 1286820991 XHPSPABUNNXYBK-UHFFFAOYSA-N 487.655 2.751 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C(=O)OCC 1287779455 WXLIVSSOUUZZHP-LJQANCHMSA-N 456.992 2.895 30 10 JFEE C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCCCC1 1288560791 HOWRXSLVKOJIPL-RXVVDRJESA-N 456.616 2.705 30 10 JFEE CC[C@@H](Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1292253987 HBZHDMRHINGSMG-ROUUACIJSA-N 486.573 2.898 30 10 JFEE C=C(C)CNC(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1296711763 SUGIZINJFDZQTG-UHFFFAOYSA-N 454.552 2.615 30 10 JFEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1299749358 AAROWULBDUOPNI-GJZUVCINSA-N 479.629 2.765 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300341379 GNFJKNDAGCZVBJ-NRFANRHFSA-N 492.624 2.766 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300392461 XNMAQNDCFUODCE-HXUWFJFHSA-N 471.005 2.763 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300502060 QGSUADYENUWIIP-KRWDZBQOSA-N 475.665 2.933 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300504238 KTPILIYKBUNZIS-GOSISDBHSA-N 489.667 2.867 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300505156 YIMVKMUCQPTULW-FGTMMUONSA-N 460.625 2.862 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1N1CCOCC1 1300572493 WATMMKYOZUTNQY-UHFFFAOYSA-N 451.534 2.560 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300676856 VBHAHMOFRLDQAW-TXTKFYIRSA-N 496.660 2.783 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300690407 ABTRJFBZXDKHCN-IBGZPJMESA-N 498.628 2.973 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1300707891 LNHFGXKMWWGUPC-AREMUKBSSA-N 474.565 2.602 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)NCCC)CC1 1300708304 QRCVVGLVQQHWNY-UHFFFAOYSA-N 466.630 2.826 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(C3OCCO3)c2)CC1 1300712960 ZMYYRBVJZAHGTB-GOSISDBHSA-N 451.571 2.851 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1300743038 FVJNBOAFBIEQAK-UHFFFAOYSA-N 479.610 2.835 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1300844821 SCWQNWAYTHOFTB-KRWDZBQOSA-N 494.415 2.581 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccn2)CC1 1300857470 CXPLBEHAYQPSAI-UHFFFAOYSA-N 457.380 2.770 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1300876059 RHWBALSOZCGABO-JKJDWNRSSA-N 465.542 2.504 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300963048 MBVZKNTXPUFYGK-SFHVURJKSA-N 463.604 2.550 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1300993777 GRPYCYFJVCHNMH-UHFFFAOYSA-N 462.554 2.525 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OCC)C2CCCC2)CC1 1301125227 MYIRTKQYYNJUPD-FCHUYYIVSA-N 495.690 2.999 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C2CCC2)CC1 1301515655 WYCZSNDTFUFENZ-UHFFFAOYSA-N 489.418 2.596 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301597363 PKDHJSZNNWCREV-LBPRGKRZSA-N 462.439 2.824 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NC(C)C 1301805377 GXLDKLMPZXMJFW-UHFFFAOYSA-N 467.343 2.738 30 10 JFEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)CC1)S(C)(=O)=O 1313621005 AKUCLJLGVMSTDO-UHFFFAOYSA-N 479.610 2.705 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 1313926511 DCXBFIBVZXPCER-URXFXBBRSA-N 481.645 2.616 30 10 JFEE COc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 1318232019 HCZDGKYRJGOETN-PSCUFVCCSA-N 450.557 2.722 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358876956 UGZOERJKCDLFRQ-HNAYVOBHSA-N 497.518 2.692 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCOC2)c1 1358902945 GCKMCNVFHYXWCL-OAQYLSRUSA-N 461.570 2.623 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358956286 DAZNKOOQNVSAGD-FXAWDEMLSA-N 464.035 2.956 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)[C@@H](C)CC 1358979097 CDIYMNWNAHEZKC-UFYCRDLUSA-N 459.591 2.720 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCc1ccco1 1359020307 YLDYQFVMLIAVOM-UHFFFAOYSA-N 490.333 2.842 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCC(C)CC2)CC1 1359039484 KXSMNHUAWGKSAV-QFIPXVFZSA-N 485.677 2.837 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CCOCC2)CC1 1359042632 NYQQIZHLJHVHNH-UHFFFAOYSA-N 479.625 2.750 30 10 JFEE C#CCSCCn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359061809 MSWOQQPDUWWMMA-RUZDIDTESA-N 489.686 2.916 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1359084994 YHKWMNBWHSWNPD-AEFFLSMTSA-N 497.415 2.675 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359088150 CLWPFEUEBATOEL-JXFKEZNVSA-N 470.412 2.722 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359097247 MQDHXIMHETZLQR-CTNGQTDRSA-N 474.631 2.572 30 10 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2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1359333899 NJXSDRQYVXGTQS-LJQANCHMSA-N 486.667 2.809 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1359342684 CNRPNSLCKGZDEV-FQEVSTJZSA-N 478.688 2.829 30 10 JFEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1360007728 GPGMIDVPUSEQDC-QFIPXVFZSA-N 499.685 2.656 30 10 JFEE C#CCOc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1OCCOC 1463109200 GVEKFMBMFMPBLQ-UHFFFAOYSA-N 454.342 2.965 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)c1 1472146132 OWFOIGCMMXJYGF-UHFFFAOYSA-N 451.592 2.825 30 10 JFEE Cc1cccc(N(CCC#N)C(=O)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c1C 1473158879 AJAGFURQJPAFPD-VWLOTQADSA-N 459.594 2.973 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 1475973196 KUZUQOJFJNVDOZ-UHFFFAOYSA-N 458.584 2.994 30 10 JFEE COc1cccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)N2CCCC2)c1 1504323162 AKKKADVQRIGSDF-SIKLNZKXSA-N 465.602 2.956 30 10 JFEE 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COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730617312 AZNIXIQOWCDEQZ-PKOBYXMFSA-N 493.516 2.698 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)c1 730781287 VRZYPOCVIKTGTC-PAXLWEDBSA-N 454.548 2.606 30 10 JFEE C[C@@H](OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 747292377 FYKXXVHUFHXHGK-OAHLLOKOSA-N 487.603 2.523 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 749650858 QFDLPABSTGKGGC-FPOVZHCZSA-N 475.611 2.850 30 10 JFEE C#CC[C@H](NC(=O)[C@]1(C)COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757280183 VGLKHWMHRWYVBM-AOJNWGRGSA-N 462.502 2.523 30 10 JFEE C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 857831980 GABZHVKTBLHJSJ-CYBMUJFWSA-N 459.549 2.832 30 10 JFEE CN(C)c1ccc(C=NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1Br 1084437641 PQIXKEBIYMUDOH-UHFFFAOYSA-N 489.422 2.973 30 10 JFEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 1084646283 VUEAGZKCGGVPTP-UHFFFAOYSA-N 471.543 2.585 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1 1154576492 KBLGMSSTIWDQKN-OALUTQOASA-N 453.347 2.635 30 10 JFEE C=C[C@H](CO)N[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(Cc1ccccc1)C2 1174797522 JGGRHAWYUDYMLF-SJLPKXTDSA-N 457.596 2.947 30 10 JFEE C#CCN(Cc1nc(O)c2ccc(C(=O)OC)cc2n1)C1CCN(C(=O)OC(C)(C)C)CC1 1197767229 AOKBEDYBOOKBEA-UHFFFAOYSA-N 454.527 2.957 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286388739 VDVQSZQLJWCQEG-UXHICEINSA-N 488.610 2.548 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(=O)(=O)NC(C)C 1286400771 GJCFPQGWSORBDS-UHFFFAOYSA-N 459.641 2.676 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cc(Cl)cn1 1286404411 QFLLSNSKBLEQEI-UHFFFAOYSA-N 454.918 2.594 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@@H](C)C1 1286415507 KXKZUXVVIFZFEO-ZEQRLZLVSA-N 460.626 2.531 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286471751 OAXVUNGRIPFGEG-CTNGQTDRSA-N 468.577 2.571 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286480665 OVYXYBSMBNUJBU-MOPGFXCFSA-N 494.587 2.572 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286489147 HMHSRCFZNUEPLP-KNQAVFIVSA-N 495.624 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCCCC2)CC1 1286489419 RPCDEVRBHBVDNH-UHFFFAOYSA-N 494.640 2.804 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286506784 NIWCWTSNWSTEGU-DEOSSOPVSA-N 490.674 2.721 30 10 JFEE C#CCSCCn1c(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286513054 QDAWGIYQOMHGJG-RUZDIDTESA-N 499.685 2.845 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286558622 PVSKICFIKXLCQI-BJLQDIEVSA-N 453.653 2.614 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)Nc1ccc(F)cc1 1286724189 DWNKWNUWNXYKEK-UHFFFAOYSA-N 450.522 2.852 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286771694 IBSPQAOOACMUMD-FQEVSTJZSA-N 477.338 2.847 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(Cc2cccs2)CC1 1286789384 RPAGPWRYZSPQKC-UHFFFAOYSA-N 450.612 2.863 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1286813118 RVBXZMLRGHTMQH-NRFANRHFSA-N 481.576 2.799 30 10 JFEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 1296366776 CUZHGYDYRNHLSJ-GOSISDBHSA-N 458.613 2.944 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)C1 1299032509 HPHDXGWXPABWKV-AREMUKBSSA-N 479.629 2.813 30 10 JFEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300365127 PXILMXZDUBCJFH-QHCPKHFHSA-N 480.613 2.585 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1300504067 JJFPXAZYTPHQIO-QUCCMNQESA-N 492.692 2.641 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1300570027 WUIGOPJIKKRPBN-UHFFFAOYSA-N 489.584 2.641 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CSCCS2)n1 1300681523 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C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1OCC[C@H]1C 1301422801 XRQYALNFLCFGGK-YLJYHZDGSA-N 452.559 2.739 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1301436223 VSTZGWQPBYTWCR-LJQANCHMSA-N 458.632 2.694 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1301502208 CPJLESDHQIZXKB-UHFFFAOYSA-N 458.994 2.785 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccccc2C)C1 1301507840 AHLWYSJIEHSHBO-FQEVSTJZSA-N 452.584 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C#N 1301589220 PHYMLRPRXXNPRC-KRWDZBQOSA-N 480.635 2.589 30 10 JFEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 1310885074 IAEKRZUGXLNLQE-LSDHHAIUSA-N 457.453 2.962 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCOc2ccc(Cl)cn2)c1 1316529759 DNQCZOHHIMDQTH-KRWDZBQOSA-N 451.918 2.646 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1358897678 DAXXEWUGPPZSQC-IXCHTMLJSA-N 471.577 2.724 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCNC(=O)OC(C)(C)C)c1 1358901704 UIQRXVJNFHBHGL-UHFFFAOYSA-N 477.569 2.865 30 10 JFEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358963359 GPOBMTDZRUQHDA-FGZHOGPDSA-N 455.628 2.613 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(OC)ccc1OC 1358978812 VHSZYZVZNIJIQY-UHFFFAOYSA-N 471.565 2.590 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1358980283 PKPWTGDINYGSSQ-QHCPKHFHSA-N 454.534 2.503 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(CCOC)c1 1358984346 RDRORRGYWSZKFF-UHFFFAOYSA-N 459.554 2.501 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOCC1(C)C 1359009521 RNBBRISVSIVADZ-UHFFFAOYSA-N 474.650 2.963 30 10 JFEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2ncccc2c1 1359026662 GTCDQWFLBCJODF-UHFFFAOYSA-N 460.563 2.952 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cc(C)cc(C)c2)CC1 1359038328 RVRSKQNZYRIESC-UHFFFAOYSA-N 462.623 2.884 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1359039878 ZNYMJSLVAHGYCX-ZYLNGJIFSA-N 474.650 2.902 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2ccccc2)CC1 1359045136 YFEGEIRFUAZLLL-KNQAVFIVSA-N 451.571 2.953 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCS2)CC1 1359047714 QOWDIPOJILUFGL-LJQANCHMSA-N 469.611 2.727 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC=CO1 1359066085 MUBZGZRTQVSCDY-WMZHIEFXSA-N 455.584 2.880 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1359113773 QFSAYRLAXHADIW-TZIWHRDSSA-N 487.626 2.748 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1359126548 SMRBCQXIMSCVRC-FUHWJXTLSA-N 451.568 2.614 30 10 JFEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC=C(COC)CC1 1359127028 GFUUAEGEJPHLBS-UHFFFAOYSA-N 474.631 2.922 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N(C)C 1359281630 GGDJVWGIDLSOLM-GOSISDBHSA-N 450.628 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN2CCCC[C@H]2C1 1359330249 LZRNFUHOIUCSAH-KRWDZBQOSA-N 494.459 2.983 30 10 JFEE C=CCCOCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1469634954 YZCNORKVQXNGRD-MOPGFXCFSA-N 452.596 2.516 30 10 JFEE C=CCCCS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1475122757 JPKKKZVCXDJGIJ-UHFFFAOYSA-N 457.437 2.503 30 10 JFEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1503382521 FYDXTRBALUVTME-NHCUHLMSSA-N 463.567 2.822 30 10 JFEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1)C(C)C 1504001071 AAGMKTNOXPORBU-QFIPXVFZSA-N 481.601 2.784 30 10 JFEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1507560392 HRQIRMMATISKHY-MRXNPFEDSA-N 484.582 2.654 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1507588587 NZJAQXFDVUGKAE-VQTJNVASSA-N 477.606 2.630 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507595406 POKQQXMSWAOPCG-QGZVFWFLSA-N 458.360 2.844 30 10 JFEE 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1507803774 IOEAONYZRHFHBR-UGKGYDQZSA-N 456.566 2.841 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1507804809 KTRXJXDVZWHIKO-DWIQEWEKSA-N 493.605 2.587 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1507936115 XZNWHBTYJDBICK-ZJSXRUAMSA-N 489.642 2.719 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1507961767 FRDCIFYFOPMHQF-UHFFFAOYSA-N 453.591 2.947 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1508081251 IJCHOOJEDLYDQL-QGZVFWFLSA-N 466.517 2.838 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1508148235 QHVWWYBJSHVEHS-HJPURHCSSA-N 485.614 2.948 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508168799 YVGGQUWDCHDXEL-DLBZAZTESA-N 463.629 2.573 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCc1nc2ccccc2[nH]1 1510186293 FYMVDQRJMAPRMJ-INIZCTEOSA-N 470.603 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COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)NCc3ccc(C#N)cn3)c2)cc1 1564051836 GHAOMJZCKXCADN-UHFFFAOYSA-N 451.508 2.762 30 10 JFEE C=CC(=O)N1CCC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)(c2ccccc2)CC1 1567508078 OMFXGVWOBSZRHI-QHCPKHFHSA-N 456.546 2.916 30 10 JFEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587798904 VKIRBJKCHYIGKQ-MZURWIMNSA-N 484.689 2.989 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1587818517 YEUDVLWZIGGIFY-UHFFFAOYSA-N 451.506 2.631 30 10 JFEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1587878915 JQTZJVNRHXGBTL-HXUWFJFHSA-N 461.570 2.711 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1cc(OC)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1588029347 GPJMGQDYMWGSLK-GOSISDBHSA-N 453.568 2.633 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1588029437 HYYMODQOCJQGTC-KRWDZBQOSA-N 482.553 2.881 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1cccc(F)c1)N(C)C 1588089714 OAXWZYQOUSEBOJ-RDGATRHJSA-N 453.562 2.834 30 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2.680 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](CO)O1 1595101169 ZDARNBVSINIDGP-XZOQPEGZSA-N 461.570 2.744 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1 1607580902 CGZYXGHCQMAKAR-QHCPKHFHSA-N 460.586 2.642 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2c(C)nn(C)c2Br)n1 1611072992 SNTSLFTYDZYKKQ-UHFFFAOYSA-N 454.379 2.857 30 10 JFEE CCN(CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1615441778 BYTIVEIJFBGALN-UHFFFAOYSA-N 461.618 2.999 30 10 JFEE C#CCOCCN(C)Cc1cc(I)cc(I)c1 1616950691 GJCWMKSUIYPNRY-UHFFFAOYSA-N 455.077 2.977 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCOCC1 1619899630 DDKUJNCPNWNJPN-UHFFFAOYSA-N 475.597 2.976 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@H]1C 1619938549 AISHUIAFNLEEIX-LJQANCHMSA-N 483.617 2.841 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(NC(C)=O)cc1F 1622563193 JOFVBKRGWFSDBJ-UHFFFAOYSA-N 453.536 2.808 30 10 JFEE C=CCn1c(SCC(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)nnc1C1CC1 1643487068 KGWZAGBUNOOCDD-FQEVSTJZSA-N 452.584 2.851 30 10 JFEE CN(C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1680778583 HIRPUUOLQODWKZ-VQTJNVASSA-N 455.559 2.700 30 10 JFEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1684546260 IHMLQEJOIOCJDK-IBGZPJMESA-N 458.559 2.926 30 10 JFEE COCCN(CCOc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1686081922 DZUPWEZYSCCDNG-JOCHJYFZSA-N 454.502 2.930 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCCC1(C)C 1689830885 DHSMJNZGTJGYKV-HJPURHCSSA-N 458.632 2.946 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689993805 LYSXPISUYCEWHU-FYYLOGMGSA-N 499.681 2.647 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCO1 1690102383 JVHGRQLCUGYCMH-UXHICEINSA-N 459.591 2.824 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCCC2)CC1 1690139864 CGFPEZWQIXQRCF-UHFFFAOYSA-N 470.021 2.835 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690229420 VTWMLDQQJZDTML-KXBFYZLASA-N 451.369 2.566 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690245216 FSCCNYNPAIMOFZ-LSWJPFSZSA-N 458.651 2.954 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1 1690313069 KQVOZLNXRQYLDT-HNNXBMFYSA-N 459.410 2.652 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)c2ccco2)CC1 1690367345 KTBZXFIJKNXXKY-UHFFFAOYSA-N 455.540 2.528 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 1690678150 MPTPOPILHUSRKA-SFHVURJKSA-N 475.638 2.573 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690715123 DJHPUZXAUSHFOE-SFHVURJKSA-N 480.656 2.835 30 10 JFEE CC(C)(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1691196767 CPYMDLHQFJZFPS-UHFFFAOYSA-N 456.616 2.705 30 10 JFEE CCN(CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1)C(=O)OC(C)(C)C 1695764020 GXMMGBSXVKEPAL-HSZRJFAPSA-N 459.595 2.788 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(COC)CCC2)c1 1705504143 OHOILGFRQXNUNS-UHFFFAOYSA-N 487.564 2.798 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[C@@H](OC)C(F)(F)F)c1 1705507390 ZSUYUTUBNDFVNX-FUHWJXTLSA-N 465.476 2.806 30 10 JFEE C#CCCCn1c(N2CCN(Cc3ccc(OC)c(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1705538990 GSLRKYOKLMBMBM-RUZDIDTESA-N 471.577 2.814 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705562478 DAKFWDNNCMBGBX-SFHVURJKSA-N 479.002 2.660 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705562925 MSTLMLLPJGTUQN-RDPSFJRHSA-N 488.679 2.737 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1ccccc1F 1705575245 DOEDJWGPGVISAK-UHFFFAOYSA-N 469.318 2.678 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705632744 ANTQNGIWEAHAOB-QPPBQGQZSA-N 484.620 2.669 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1705634469 XJLLNVROUHKWGS-UHFFFAOYSA-N 484.601 2.584 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOc2ccccc2)CC1 1705647267 BURMHXVUWQDRHT-QFIPXVFZSA-N 451.571 2.955 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1705650202 MYARDCWZBFPLOD-JOCHJYFZSA-N 452.578 2.638 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1705658642 WNJPAVJFZOIXQL-SFHVURJKSA-N 451.600 2.701 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](COC)C1 1705661850 KFFUYQCKVHHJSU-IBGZPJMESA-N 479.647 2.611 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1705672687 FHSYUBATEBIHOM-UQBPGWFLSA-N 498.632 2.559 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705698694 XJMOWXSKEINFJU-NNXHMXCWSA-N 461.579 2.597 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(C)=O)CC1 1705788571 FMFDIMUUOZHVHB-UHFFFAOYSA-N 488.658 2.903 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1705897836 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2.761 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1740597003 OFZYTBZKAWNJEV-SANMLTNESA-N 465.598 2.543 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1740617349 PVGODZAXUFPODS-HLLBOEOZSA-N 451.618 2.631 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1740617998 AJWZQVIXSQJNJR-FQEVSTJZSA-N 487.582 2.687 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1740618653 AFWRXWJESPCJJU-OALUTQOASA-N 478.018 2.970 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740625249 MXAJWQKOPHXQER-KRWDZBQOSA-N 474.480 2.561 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1740683862 GPFVAQLCAWKNRI-GIWBLDEGSA-N 451.571 2.792 30 10 JFEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)CC1 1740711715 SFVWTTAYVZIXPA-UHFFFAOYSA-N 450.612 2.937 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740720655 HRVVDNPLTPXNAH-UHFFFAOYSA-N 461.661 2.584 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nccs2)C1 1740749691 CGYSLEUZPQLCOH-ZNMIVQPWSA-N 470.393 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740990444 UYCLVXLCSZXLHQ-WOJBJXKFSA-N 459.616 2.892 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1740999541 BGQMEQARIYDUQT-UHFFFAOYSA-N 455.613 2.987 30 10 JFEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1741004246 UTNQAWLZJXCYCW-NQIIRXRSSA-N 474.700 2.838 30 10 JFEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)cn1 1741067279 GOIAXDZJWAQJOO-NRFANRHFSA-N 475.553 2.993 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1748716596 ZHMRIEAFOSSWCK-NRFANRHFSA-N 480.617 2.971 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748819050 JMJZGMCHAHPICR-GUDVDZBRSA-N 492.592 2.979 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748823871 DHIGJEVKEPCQRN-HLAWJBBLSA-N 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458.931 2.910 30 10 JFEE C#CC[C@@]1(C(=O)Nc2ccc(CC(=O)N[C@@H](CC)CO)cc2)CCCN1C(=O)OC(C)(C)C 1150352802 AMQGTMUMHLDZHN-DFBJGRDBSA-N 457.571 2.848 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1286295784 LGPXFOYHHJCFHV-VQTJNVASSA-N 460.623 2.776 30 10 JFEE C#CCCCn1c(N2CCN(c3c(F)cccc3OC)CC2)nnc1[C@]1(OCC)CCOC1 1286359222 AGAFCEHHPIGONN-DEOSSOPVSA-N 457.550 2.818 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286390872 AKFSOOZYUZRDHJ-OAQYLSRUSA-N 473.618 2.511 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286391217 GZBUJVUXDZOMEZ-UPVQGACJSA-N 483.682 2.955 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286394008 SVLRIOFNVCCYID-NRFANRHFSA-N 469.636 2.694 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286395244 MDWFUJAEUNYQAA-RTWAWAEBSA-N 472.611 2.527 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCN1CCOCC1 1286412855 FOLWAPNKHCELPJ-QFIPXVFZSA-N 484.645 2.578 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCC[C@H]1C 1286414047 QZVJQQALNGUPLI-NHCUHLMSSA-N 454.619 2.950 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CC=CCC1 1286414087 SAPCDGGROMTSMP-UHFFFAOYSA-N 452.603 2.727 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 1286433603 XVNQUEMRQSZEMR-ZLNRFVROSA-N 497.688 2.538 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(CS(C)(=O)=O)CC1 1286437817 MWNQNHXEMWNAEP-UHFFFAOYSA-N 451.390 2.992 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1286473026 GVLQJZKSLSFUBR-UHFFFAOYSA-N 485.539 2.655 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1286516042 BNSVZUWDFKVOQI-FOIQADDNSA-N 485.532 2.870 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286550045 YJEFVMPGSAAZHF-QRVBRYPASA-N 474.606 2.599 30 10 JFEE C=C(C)COCCn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286614372 QKQWMIQCMAPCDM-NTKDMRAZSA-N 479.622 2.969 30 10 JFEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1)c1ccccc1 1286615629 RQSIRZQDXBOXMH-OTNCWRBYSA-N 496.656 2.704 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccs1 1286774051 XZJYUMFUHXZTCN-MRXNPFEDSA-N 464.592 2.730 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2Br)C1 1286813055 WBSDYGXYYMRNQT-KRWDZBQOSA-N 460.376 2.993 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1286823137 KRHNFWXEHSKQQK-FQEVSTJZSA-N 465.576 2.622 30 10 JFEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCS1 1287298775 HNAVEZLAJKCLAE-QGZVFWFLSA-N 464.542 2.688 30 10 JFEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1299401956 FTQHZGMIKRLYPN-UHFFFAOYSA-N 452.559 2.602 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300473052 NKEBMISISLJLQO-URVUXULASA-N 492.580 2.823 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300485439 WKHUSYYVJRLQAN-YZZKKUAISA-N 478.590 2.735 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1300487425 JHADZMZTDPDZST-OAHLLOKOSA-N 491.495 2.756 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCO[C@H](C)C2)CC1 1300726563 NXWZJIGOWCXYFB-MSOLQXFVSA-N 471.552 2.928 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1300767207 SOFSLMBSWYFEOR-UHFFFAOYSA-N 463.567 2.865 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300833909 FXBCELSKIZUIOF-STQMWFEESA-N 471.377 2.840 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1300855343 FBRAVWNKWFYOFR-RTBURBONSA-N 464.492 2.553 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300938648 AMGHZAKMJCCMJJ-HXUWFJFHSA-N 468.602 2.671 30 10 JFEE C=C(C)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300965413 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2.849 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCSC1 1359019990 OHQYJYCYZVDOBP-LJQANCHMSA-N 469.380 2.801 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(C(N)=O)nc2)CC1 1359032670 YHFMURJKOQULCT-UHFFFAOYSA-N 470.364 2.549 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1359036912 NZJBHDQQNPFZIW-JOCHJYFZSA-N 465.552 2.600 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2noc(CC)n2)CC1 1359041770 HZLXQXKSFDXEBR-UHFFFAOYSA-N 499.522 2.700 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 1359099106 JZLRRPYCCGZTGB-ZVDOUQERSA-N 460.600 2.806 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359209638 TUYUVGMOHSDIDN-IBGZPJMESA-N 473.647 2.865 30 10 JFEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359228232 XHZJAJJWSGHPSO-OFVILXPXSA-N 498.647 2.980 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 1359254890 HAELAVBIKUSOKQ-UHFFFAOYSA-N 478.645 2.507 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1359265542 HVIIBWKMTAGJBX-CTNGQTDRSA-N 453.591 2.623 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359286355 LYSDUTXLRZXFFF-HNNXBMFYSA-N 489.502 2.756 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359304435 YATIBWBIJPSGOO-IAGOWNOFSA-N 491.434 2.841 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 1359342237 SEYUQDSKMGRSQV-UXHICEINSA-N 492.690 2.833 30 10 JFEE C=CCn1c(SCC(=O)N2CCN(c3n[nH]c(C)n3)CC2)nnc1-c1ccc(Cl)cc1 1452721186 UQOTUVHHJOLXIK-UHFFFAOYSA-N 458.979 2.652 30 10 JFEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1)c1ccc(F)cc1 1457838145 ZOAOTGIDTOXRJC-HXUWFJFHSA-N 453.495 2.812 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@](C)(C(=O)OC)c2cccc(Br)c2)c1 1460815336 CKTHYTHPCAJLLC-OAQYLSRUSA-N 458.312 2.757 30 10 JFEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1478854388 SLXWRHWKYINAIY-IRXDYDNUSA-N 454.568 2.992 30 10 JFEE C[C@H]1CCCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 1493687369 BWFFDFDMKDJLQK-PMACEKPBSA-N 479.629 2.906 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1)N1CCOCC1 1496634221 HKZYGFYYRZGYIE-SMIHKQSGSA-N 482.629 2.804 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507524324 UEEXKWOBRGMFGR-WAOWUJCRSA-N 487.626 2.624 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1507535420 YMYSQEXVYNOFON-QGZVFWFLSA-N 482.610 2.661 30 10 JFEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1507591490 LSQMQMUIFVFUFV-NRFANRHFSA-N 455.534 2.800 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507630355 XHZDBKRTBZKMRH-RTBURBONSA-N 493.029 2.668 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCCC[C@@H]1C 1507648163 LGXSHBUZAPPFLE-NRFANRHFSA-N 481.670 2.966 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCNS(C)(=O)=O 1507661322 SBWNDUXZQWQJMY-UHFFFAOYSA-N 478.622 2.755 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1507721795 MKJCJAMNIJOWEA-FCHUYYIVSA-N 450.631 2.816 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@](C)(O)c2ccsc2)CC1 1507732954 VTAPNKZUDJRQTK-VWLOTQADSA-N 481.622 2.980 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1507740574 BZQCLJUFGXAAQO-UHFFFAOYSA-N 464.595 2.800 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCNC2=O)CC1 1507780137 MMIVUIFQKVFUDX-UHFFFAOYSA-N 466.771 2.896 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507788484 PUYICPFHHZSGOK-SJORKVTESA-N 477.407 2.540 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507910465 SKODPRSVYLHNOD-GOSISDBHSA-N 473.622 2.565 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1)c1ccccc1 1507918946 AJEOGZJGFMDVNQ-FYYLOGMGSA-N 466.630 2.935 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1507925470 GPFXBSVSLSGLAQ-LPHOPBHVSA-N 451.568 2.962 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1OCC[C@H]1C 1508004341 CSSFWEMNPKAIFC-GPMSIDNRSA-N 451.568 2.645 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1508059175 OSAJIRXLYPJDEN-ZWKOTPCHSA-N 456.547 2.825 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1508071871 GKCUOCOHBTVMPR-GOSISDBHSA-N 460.529 2.913 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC2CC2)CC1 1508074233 RJEHNDWMPVSNIG-UHFFFAOYSA-N 477.382 2.681 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1 1508089064 IKUPJDNYENTKHM-SFHVURJKSA-N 452.607 2.627 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnnn1CC1CC1 1508415045 BLAZJDLHAYXQNC-GFCCVEGCSA-N 474.342 2.887 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1514285729 IEACZBHMYGJAIU-RBUKOAKNSA-N 454.575 2.896 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1521069119 DFXYALSVGHFMQD-FXAWDEMLSA-N 486.445 2.701 30 10 JFEE C=CCN(C)C(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1537785436 GNZFWGRFQIPROM-UHFFFAOYSA-N 454.552 2.568 30 10 JFEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1539096103 QOZVDLDJJCFKDW-IBGZPJMESA-N 457.550 2.907 30 10 JFEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(NS(C)(=O)=O)CC1 1539097421 MIEPSTBUZNAMNR-UHFFFAOYSA-N 484.395 2.778 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1539265011 CBHOMQVMNXYLTR-LVXARBLLSA-N 483.613 2.804 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1539266226 NZBBXMTWUMWATI-SANMLTNESA-N 473.556 2.572 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCOCC1 1539412624 AZHBZWYYKVKCLP-HXUWFJFHSA-N 461.607 2.905 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccco2)N(C)C)CC1 1539434188 BZNWTSVGRDXOFM-GOSISDBHSA-N 472.391 2.687 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC=CCO2)CC1 1539434220 DGEMSKNTTQKRPC-GOSISDBHSA-N 472.387 2.817 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NC2CCCCC2)CC1 1539437708 HBQKCWDWOAGSJD-UHFFFAOYSA-N 485.430 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(F)(F)Br)CC1 1539484674 YXPCLZOWPUOKQJ-UHFFFAOYSA-N 458.351 2.964 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1539499970 SWARWIKGSHBXEC-IRLDBZIGSA-N 450.612 2.730 30 10 JFEE C#CCSCCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1539530558 INIZNXRRKRAERJ-DEOSSOPVSA-N 484.601 2.634 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC(=O)N(CCOC)C1 1539652197 OVOJWQVDXAHMAW-HNNXBMFYSA-N 465.396 2.933 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539751328 LBDXOLZYWDQWLT-RBUKOAKNSA-N 476.622 2.652 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1539775288 JTXWVIIJOOZQPJ-CQSZACIVSA-N 484.966 2.597 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1539802849 AFPMXWMNWVVKGH-LJQANCHMSA-N 458.994 2.912 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539804866 ASGPKWDNHXTMPD-YCRPNKLZSA-N 478.975 2.888 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCOC[C@H]2CCCO2)CC1 1539835818 INSZNIWORGGETM-OAQYLSRUSA-N 489.642 2.938 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2Cl)CC1 1539847570 HTRYQHLNRIQIGF-IBGZPJMESA-N 466.007 2.664 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC1 1539874115 JIYGWRNCRLZENO-MRXNPFEDSA-N 487.605 2.972 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1)C1CC1 1540108089 GRYKUIYQSIEBQM-UJQZNKFNSA-N 465.620 2.652 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1540874286 AQGOFRDACUKPQL-UHFFFAOYSA-N 494.621 2.928 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)NCCC)C1 1540890654 HUFMBFKWHFQOHG-IBGZPJMESA-N 476.622 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H]1CCCO1 1540898597 OYMWJZMQJRKRNJ-MRXNPFEDSA-N 499.431 2.932 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1540899694 XUNBLGIPLBDHBP-UHFFFAOYSA-N 452.964 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540900534 ZACLAMOMVZWJQP-PBHICJAKSA-N 469.405 2.516 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1540903503 FNSXDFLPCISBCM-OAQYLSRUSA-N 475.634 2.921 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540905588 TZISYEHSPFGCLK-HXUWFJFHSA-N 476.553 2.823 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCC(O)CC2)c2ccccc2c1=O 1541111061 DKQFHXSQSLQZAM-LJQANCHMSA-N 492.628 2.679 30 10 JFEE COCCNC(=O)N1CCC2(CC1)C[C@@H](C(=O)N(C)C)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548381897 LWPCDFWUEWXCBH-IBGZPJMESA-N 481.519 2.682 30 10 JFEE C=C(CC)CNC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1557022726 WMPAGAICQCZHJR-UHFFFAOYSA-N 454.552 2.981 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 1568115130 XIZMJYBPCBTVMP-RDJZCZTQSA-N 459.996 2.896 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCN2CCC(O)CC2)c1 1587689125 CAJSSYWFWYWPBJ-UHFFFAOYSA-N 476.581 2.750 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588084310 PSTYTWZWBXPYCZ-LJQANCHMSA-N 457.575 2.642 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCN1CC 1588189573 NGWZSDJRCCCYHB-HXUWFJFHSA-N 451.571 2.918 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)CN1CCOCC1 1588594864 KXVCOHHCOAKFEC-MRXNPFEDSA-N 482.448 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1588913288 GLEUYFZTWHAGHC-HSZRJFAPSA-N 477.588 2.691 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCn2nc(C)cc2C)CC1 1588913592 NYAZGJRECWVWCV-UHFFFAOYSA-N 463.561 2.954 30 10 JFEE C#CCSCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589126243 YAECCTJMJFHRJK-QHCPKHFHSA-N 474.606 2.546 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(S(C)(=O)=O)cc1 1589243161 VHYYJMDKESVDGU-HSZRJFAPSA-N 483.619 2.714 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CC(N)=O)CC1 1589304368 GCIDNUXKERNLAM-UHFFFAOYSA-N 494.390 2.971 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 1589544538 IFYYSKVOTAEPNJ-NRSPTQNISA-N 499.616 2.994 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(O)cc2)CC1 1593763311 GPNLFKHLDNVMKI-UHFFFAOYSA-N 451.575 2.765 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN(C)CCOC)CC1 1594096507 CDVPVYJKLPKANO-FQEVSTJZSA-N 478.638 2.711 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1595530102 STJMFCMOXUSRHN-UHFFFAOYSA-N 477.569 2.559 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1595562057 MMDKLUOWPDIBSJ-INIZCTEOSA-N 475.519 2.725 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1595639862 MRXNYUCEFZGJKE-UHFFFAOYSA-N 480.613 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1595777860 RXEGWVABJTUTBT-UHFFFAOYSA-N 465.583 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1595797080 DKZWSAXOPKTHRK-MJGOQNOKSA-N 489.598 2.537 30 10 JFEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1595861005 ZWZRBUDVXBIIQQ-INIZCTEOSA-N 466.405 2.578 30 10 JFEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1595884770 SKCNEXVNQPNNOX-ZWKOTPCHSA-N 495.646 2.895 30 10 JFEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccccn1 1596902434 FXHUSOYUKJQOPR-ROUUACIJSA-N 468.583 2.624 30 10 JFEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1611625054 DZCBSSJMRSEAGB-AHRSYUTCSA-N 495.584 2.912 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1613436670 HEXBBNQXJJDHTD-IBGZPJMESA-N 464.618 2.909 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1613438804 DWHMIJLNJNOBCO-MAUKXSAKSA-N 491.390 2.653 30 10 JFEE C#CCOCCNC(=O)c1sccc1NC(=O)c1ccccc1I 1623861773 AALYXITZEFRRKX-UHFFFAOYSA-N 454.289 2.985 30 10 JFEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 1623968744 CEYFGCKOELWLPX-AEFFLSMTSA-N 451.445 2.920 30 10 JFEE C#C[C@@H](CO)NC(=O)[C@@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1625165067 DDXVZRFUEXCMIR-GAJHUEQPSA-N 450.535 2.819 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](C)N3CCCCC3)nnc12 1638567746 ZRIZOPVSPGRUOY-KRWDZBQOSA-N 454.600 2.703 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2c2ccccc2)cc1 1640311567 YAOFWLNVEGCRCM-NRFANRHFSA-N 454.548 2.565 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3ccc(Br)cc3)CC2)c1 1642349931 JXBFXGWKIPQVNM-UHFFFAOYSA-N 455.356 2.896 30 10 JFEE C=CCOc1cccc(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1666342313 BOTHEYCEMUOVCW-SFHVURJKSA-N 453.561 2.797 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCN1CC 1689831128 FXGZQIRQLFKINL-MJGOQNOKSA-N 457.648 2.879 30 10 JFEE 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C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2OC)C1 1690313487 VPJMQBLKIQMKBR-OALUTQOASA-N 460.600 2.775 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)CN2CCOCC2)CC1 1690375455 LOBJOHJZUYCWLW-NHCUHLMSSA-N 490.649 2.711 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCC2(F)F)CC1 1690411575 PPPZRFKAOWBLFS-QZTJIDSGSA-N 473.590 2.839 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690532972 ZVECWSWFPWYCEC-MRXNPFEDSA-N 472.537 2.545 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690672065 GOOOEGXVUULJTJ-UHFFFAOYSA-N 458.994 2.708 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690672960 JFHUTBFIGGSSEM-UHFFFAOYSA-N 463.439 2.546 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1CC1(C)Cc2ccccc2C1 1692771603 CNAOXRJVTJZMIL-QGZVFWFLSA-N 456.616 2.823 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(NC(=O)C2CCC2)c1 1692783037 GTZARLMVHVPPDA-QGZVFWFLSA-N 499.641 2.805 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1COC(C)(C)OC1 1705509394 IKSMUOTZBPRAHG-UHFFFAOYSA-N 489.642 2.834 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1705565821 WOQHFFLQFWJTCI-KRWDZBQOSA-N 475.521 2.749 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1705580149 DXKOILOAOLKWLU-WOJBJXKFSA-N 458.566 2.689 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(CN(C)CC)c2)CC1 1705635216 UAUGTKCJBBVPKC-MHZLTWQESA-N 480.657 2.574 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCN2CCCC2)CC1 1705636506 MVYPTLTXTVQJCC-UHFFFAOYSA-N 466.630 2.982 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705642010 CKWBHUVPMUUEKG-URXFXBBRSA-N 481.641 2.961 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1705649084 JUZBENCLUDPNGY-HXUWFJFHSA-N 499.619 2.883 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705655702 PHIQXWQSSSYKSK-UHFFFAOYSA-N 489.667 2.599 30 10 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C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1cc(Br)ccc1F 1722523460 USQMWSXYFZLHAG-CQSZACIVSA-N 487.395 2.657 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1722574455 LWSHUWJRQWICOO-AWEZNQCLSA-N 485.557 2.949 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722699166 CQJZOCSUVFXRRF-OAQYLSRUSA-N 462.602 2.604 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1722709003 HRQQQSSKLMPUKW-VQTJNVASSA-N 466.586 2.843 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722740556 QDZHHEIYXMMCOE-OKZBNKHCSA-N 476.647 2.888 30 10 JFEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CC1 1722840127 ATKLSISBPTXTKO-UHFFFAOYSA-N 488.596 2.591 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1725817595 DVRGUFBNSYCUFM-IBGZPJMESA-N 484.605 2.520 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1726829597 CDPYXVNWTBYHQX-XDHUDOTRSA-N 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461.488 2.680 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1748905611 IGURXVDEWWYOHE-XXBNENTESA-N 457.962 2.659 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1CCOC1 1748962940 UQQLXKVWXZIVER-VQTJNVASSA-N 461.607 2.905 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749020684 ZMYXSPCOQKEQAP-PXNSSMCTSA-N 473.046 2.901 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749042995 CCZLFVCFGJUHQF-APWZRJJASA-N 473.647 2.856 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749044059 NADURBDRXOPDFT-IBGZPJMESA-N 498.682 2.761 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1749053759 LLMKWDNSFQLFMJ-PMAPCBKXSA-N 494.662 2.528 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1749068934 PIMKKTIIMHHGAM-ZYLNGJIFSA-N 472.634 2.920 30 10 JFEE C=C(C)Cn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749207577 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475.508 2.757 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2334266836 AXBDXRWXAVKKOT-DZKIICNBSA-N 484.449 2.581 30 10 JFEE C=C(CCNC(=O)OC(C)(C)C)CNC1(C(=O)O)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 2345134367 PSDVLIAJABIWDR-NHCUHLMSSA-N 459.587 2.649 30 10 JFEE COc1nc(OC[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](C)CO2)ccc1B1OC(C)(C)C(C)(C)O1 2365380856 VRKQICJPJPHUOG-CVEARBPZSA-N 464.368 2.793 30 10 JFEE Cc1cc(Br)ccc1NC(=O)CSc1nnc(N/N=C/c2cccc(O)c2)n1N 20914592 CVPOWFBMXBCSIH-ZVBGSRNCSA-N 476.360 2.945 30 10 JFEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3C)n[nH]2)c([N+](=O)[O-])cc1O 59039932 DBRMTVNFLICODH-AWQFTUOYSA-N 457.472 2.912 30 10 JFEE CC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252677388 YNSVEGFKKUBLIH-QHCPKHFHSA-N 461.543 2.619 30 10 JFEE C=CCNC(=O)[C@@H](C)Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 504012232 YOJCDAPQPLXNIT-FOIQADDNSA-N 495.576 2.966 30 10 JFEE biogenic 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WSOFWGGKGXRQAC-IBGZPJMESA-N 468.627 2.783 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc([C@H]2CCOC2)cn1 1286421119 MZQGAMHELKALMA-FQEVSTJZSA-N 459.510 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=C)Br)CC1 1286491273 LHASIVVAKHTSGG-UHFFFAOYSA-N 472.387 2.752 30 10 JFEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1)c1ccccc1 1286617236 JCYVMOXOCLHAHI-NHCUHLMSSA-N 460.600 2.525 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1286648584 GGKLTDRULKUXON-UHFFFAOYSA-N 477.656 2.701 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(COC(C)(C)C)on2)CC1 1286651862 NOFNNILCGNTKOH-HNNXBMFYSA-N 466.608 2.642 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286795619 KUBHQORXJWIQJG-ICSRJNTNSA-N 489.642 2.633 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286830753 QFEFMILRDWNUSP-MRXNPFEDSA-N 488.639 2.917 30 10 JFEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1286832299 RPPHUHITKRYBAS-KRWDZBQOSA-N 455.636 2.939 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccco1)N(C)C 1288505895 DBSGQPYLBYXSLT-APWZRJJASA-N 456.572 2.983 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccsc1 1288850805 ACYZQPZFFBAXND-SFHVURJKSA-N 499.666 2.582 30 10 JFEE Cc1ccoc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1289239195 GLSPQKFTBLWKPD-UHFFFAOYSA-N 498.609 2.643 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1295347294 HVDNUUWNIBOFOH-UHFFFAOYSA-N 464.618 2.885 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)C1 1299031876 BYAJFWUGKLXUQK-NLFFAJNJSA-N 477.569 2.587 30 10 JFEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300386533 QOFPUWDLOGEXSG-GOSISDBHSA-N 461.385 2.748 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300431494 WVOHIUAOZHDXIO-QAPCUYQASA-N 455.456 2.890 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300491038 DIOAQWZDGHXLSH-FQEVSTJZSA-N 495.605 2.753 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cccc(N2CCOCC2)n1 1300545494 QRZLBWMFKVXPFF-UHFFFAOYSA-N 470.577 2.827 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1300578695 GDQNMFIVSWGTRT-UHFFFAOYSA-N 497.559 2.551 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC[C@@H](F)C1 1300663406 AQSWMAOETJCTLX-ZWKOTPCHSA-N 452.534 2.899 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(O)c2ccco2)CC1 1300690466 BAVGQZKMDXGJFA-VWLOTQADSA-N 465.554 2.608 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(NC(=O)OC)c2)CC1 1300725912 LKPNUVOFBJQZKV-UHFFFAOYSA-N 452.559 2.669 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1300756558 PSZMXXYCSFLEBS-LJQANCHMSA-N 466.611 2.810 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300802239 KPORCSKRGFDPNP-FDDCHVKYSA-N 458.584 2.647 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1300915854 RIWFQGWLWBIEHJ-LJQANCHMSA-N 484.022 2.724 30 10 JFEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300963748 GPMJGTLJDQLLEH-UHFFFAOYSA-N 453.547 2.593 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N2CCCCC2)CC1 1301067180 XKJUMSXBTCEANY-MOPGFXCFSA-N 462.620 2.865 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1301086223 UZFHPFKUWUOCFP-IIBYNOLFSA-N 450.992 2.898 30 10 JFEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301194726 PCNCNEYNNGLGHM-UHFFFAOYSA-N 462.606 2.736 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301529924 OBUSCJPMSLFERA-SFHVURJKSA-N 491.552 2.815 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301585787 BHLMWFOBGKEJRZ-OXJNMPFZSA-N 466.554 2.753 30 10 JFEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301727482 DHJNBQWQLNMLHL-IBGZPJMESA-N 483.617 2.841 30 10 JFEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1314373785 FHUARTGXTKPARQ-UHFFFAOYSA-N 474.631 2.616 30 10 JFEE COc1ccc([C@H](C)CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1315369983 FDQYPUXCBBHAQP-XFQAVAEZSA-N 464.567 2.533 30 10 JFEE N#CCC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN2CCCO)CC1 1316535758 AAZYPOSPARPFIP-OAQYLSRUSA-N 456.566 2.973 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1358961430 ZBAUPYVBYHIVDY-JOCHJYFZSA-N 480.638 2.790 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCCC1 1358994917 ZCXOTHDEPZDJSB-VQTJNVASSA-N 471.652 2.542 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCC1 1359015254 NEQPHNHJNADDFV-MRXNPFEDSA-N 465.620 2.953 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(OCC)CCCC2)CC1 1359046179 HPAZIMGAPXGFIA-UHFFFAOYSA-N 450.587 2.579 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)C)CC1 1359057743 HOLQMRDQROTCQJ-HXUWFJFHSA-N 492.690 2.873 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359079972 BFSXPJYXTZGUFF-QGZVFWFLSA-N 489.374 2.973 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(=O)NC)CC1 1359090145 VKNBEVHXGKTISW-RXVVDRJESA-N 460.623 2.530 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(Cl)cc2)CC1 1359179027 JWJIGNUMIIIORK-FQEVSTJZSA-N 496.033 2.746 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C)c1ccccc1 1359194894 CXFGGGFTRJZAPG-STZQEDGTSA-N 471.627 2.597 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359291747 AZOAUUBLQLWQBA-FPOVZHCZSA-N 468.602 2.690 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359295634 IQKGILDDJUYVRA-SMASLZHESA-N 463.941 2.813 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 1360123184 GTSQKERHFQYPTG-NRFANRHFSA-N 454.596 2.876 30 10 JFEE CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1446500465 CCJUSZPZFOXSQB-VBKZILBWSA-N 450.948 2.637 30 10 JFEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cc1Br 1474953757 DGLYOCKRLPIWHG-AWEZNQCLSA-N 456.268 2.683 30 10 JFEE CCc1cnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)s1 1498149121 IDHRNKDLKIVOIH-INIZCTEOSA-N 465.583 2.657 30 10 JFEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1)CC(F)(F)F 1503606964 BYLPKSKXITVADN-UHFFFAOYSA-N 475.441 2.995 30 10 JFEE COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC 1504277441 IDLLEOKPQQTZOR-GOSISDBHSA-N 476.585 2.919 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1cccc(C(F)(F)F)n1 1507512199 FKYLULDBCNVMJL-AWEZNQCLSA-N 459.432 2.876 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC(C)C)nc1 1507520521 DHSBXJSGGBMFMK-GOSISDBHSA-N 482.610 2.884 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC(C)C 1507521722 PSUSDJJPVPTYGP-CQSZACIVSA-N 484.420 2.502 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1507587883 BGJNBGJWXPXECY-LSDHHAIUSA-N 455.005 2.886 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1507593361 NKBUGBRMPIVNNO-UHFFFAOYSA-N 468.627 2.912 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507621480 AXTMTRZVMYTURJ-UCNVEGJOSA-N 489.617 2.524 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N1CCN(CC)CC1 1507668462 DTJNHOOKVQVRQZ-QFIPXVFZSA-N 455.610 2.982 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCCC1 1507706549 NDFVYEYYISPAKA-UHFFFAOYSA-N 460.376 2.839 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1OC(F)F 1507709812 BAEDHRZGUZBIFX-UHFFFAOYSA-N 459.453 2.742 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507722567 AGXCCOBZFFFUGM-DFBJGRDBSA-N 453.587 2.659 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507789624 GGCVMPGGMIPBHH-UHFFFAOYSA-N 458.364 2.784 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507860092 JOOLLBHUETUEMQ-KRWDZBQOSA-N 454.980 2.736 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507920668 XLYQUFGUWBXJTG-AREMUKBSSA-N 489.661 2.996 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1507930959 MZVWAPSXKMEBEI-KRWDZBQOSA-N 450.543 2.938 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1507982775 WDCPMPSHGBTBNA-HTAPYJJXSA-N 466.652 2.646 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 1508100071 CKGWYRXBSVIXGM-DLBZAZTESA-N 456.572 2.606 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 1508101315 XJDVGFQGIHRQIA-ICSRJNTNSA-N 482.585 2.946 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)C1 1508195377 BQGUUTKIUOBATO-QFIPXVFZSA-N 473.581 2.980 30 10 JFEE CC1CCN(CCCn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1508416226 FHXMMAHZPPWZHN-IBGZPJMESA-N 462.602 2.910 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CCO1 1509839332 CVBLGZSLSWXJAI-HXUWFJFHSA-N 470.574 2.972 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CCN1CCN(Cc2ccccc2)CC1 1509945895 FOOHSKLWWZXRDW-QFIPXVFZSA-N 458.614 2.820 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1515392185 BFVLEGIIOUBUQQ-SIKLNZKXSA-N 470.643 2.951 30 10 JFEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(OC)c(OC)c2OC)CCOC1 1516160368 BXGRNDKWXMRKJH-XMMPIXPASA-N 471.558 2.744 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1539044820 JEKGJWGCJIXTJD-UHFFFAOYSA-N 451.575 2.778 30 10 JFEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1539067745 JZHLIKFCUKUGIQ-SFHVURJKSA-N 461.570 2.741 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539211398 INCFEOVYKNOIPY-LJQANCHMSA-N 492.045 2.718 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1539224924 KILGSGGBQYEUST-XZOQPEGZSA-N 478.622 2.725 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccco1 1539423327 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COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccc(O)c1 526741269 RCBSJOUXQRCGLP-OAQYLSRUSA-N 480.498 2.831 30 10 JFEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1CC 609405843 HFRSHXKYRAPNRY-UHFFFAOYSA-N 461.587 2.507 30 10 JFEE N#Cc1cc(N)ccc1S(=O)(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705684047 GDKDGMUIZYONSK-UHFFFAOYSA-N 462.575 2.890 30 10 JFEE C#CCN(C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)[C@@H]1CCS(=O)(=O)C1 729335192 JMGJMNMWOOTGFR-LJQANCHMSA-N 475.364 2.964 30 10 JFEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 757295771 IUIBIUDSTHSOTO-KBJGYGKASA-N 452.507 2.810 30 10 JFEE C#CC[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cnn(C)c1)C(=O)O 757375992 LXBZIPFCZMHLCK-PKTZIBPZSA-N 472.501 2.593 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(C)c(C(=O)OCC)s3)cc2C1=O 800717178 RKHDTKHPZJCFCO-UHFFFAOYSA-N 456.476 2.811 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1)NC1CC1 1083997997 PIJUVJJMOATZLA-UHFFFAOYSA-N 490.181 2.852 30 10 JFEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccc([N+](=O)[O-])cc3)n2)c1OC 1084214001 XMSDDXXKBLDOON-UHFFFAOYSA-N 485.526 2.975 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)n1 1128570316 LPDIWWLVCIZIDC-HXUWFJFHSA-N 458.481 2.681 30 10 JFEE N#Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 1151827683 IBSNVCNEKKMWJB-UHFFFAOYSA-N 454.371 2.919 30 10 JFEE COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1Br 1261036273 NXZDJDBPVXEREX-GFCCVEGCSA-N 460.350 2.591 30 10 JFEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286317807 JAYICOISNGIJKF-IBGZPJMESA-N 452.559 2.760 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286338912 HCXJTHDGWMKPGM-UHFFFAOYSA-N 480.613 2.510 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286391503 IXYFBSHJUQYJQB-YADHBBJMSA-N 499.662 2.518 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C(CC)CC)N(C)C)CC1 1286481688 WPFGJOSPEKMRSU-XMMPIXPASA-N 493.704 2.574 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CCOCC2)CC1 1286482090 ZTKFVGNNHVHDLI-NRFANRHFSA-N 486.661 2.965 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(S(C)(=O)=O)CC1 1286498278 CXROFGGIGCKWRQ-MRXNPFEDSA-N 479.697 2.579 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286500894 GTRXHHFWDMXTEZ-PGRDOPGGSA-N 487.073 2.954 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1286532049 VDKOSGVPNYJBBQ-ZDUSSCGKSA-N 484.196 2.766 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286601400 URWRQYPYXXZSIU-SJORKVTESA-N 468.649 2.630 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286673044 SZGYZGHELPLLHJ-NNWRFLSQSA-N 458.651 2.763 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1286740806 XBGUSSZZDRMZMV-FQEVSTJZSA-N 483.594 2.833 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1286785665 PBFXTKKNRBIYOF-UHFFFAOYSA-N 457.579 2.801 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1286798222 IMLBCAKGBQOUEP-UHFFFAOYSA-N 452.559 2.709 30 10 JFEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1287152800 HUDBILNKRCPGJG-RUZDIDTESA-N 483.617 2.766 30 10 JFEE CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1291925109 DKVNRZIJIDSSQW-LJQANCHMSA-N 469.565 2.772 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1291961377 HYOCXAOVRNCVCU-XZOQPEGZSA-N 463.586 2.683 30 10 JFEE CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1297705620 FGAVJNFNYBDFMX-OAQYLSRUSA-N 472.615 2.543 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1300336904 PZHVFHYEDIDYKM-UHFFFAOYSA-N 451.531 2.552 30 10 JFEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300391870 UWGPTBAQMYBXDO-UHFFFAOYSA-N 472.540 2.704 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1300411563 UNYRQFYYTUFGKL-IEBWSBKVSA-N 480.537 2.773 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cccnc1N1CCOCC1 1300475354 HJMYAPCJQCERSW-UHFFFAOYSA-N 452.946 2.860 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1300488190 PFSXYHQZLOBKDE-SFHVURJKSA-N 454.552 2.839 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300491094 DQPJJDXJNUKIKO-FQEVSTJZSA-N 471.627 2.872 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1300495466 HZBIVMDODSWMGI-YADHBBJMSA-N 486.638 2.882 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC(C)CC1 1300603985 ZKZYRDFNQSKLKB-UHFFFAOYSA-N 457.648 2.738 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cscc1C 1300664114 OHNXGMPJHZPHOB-UHFFFAOYSA-N 458.613 2.742 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1300720017 ZEIBUVGYFTZSHN-IBGZPJMESA-N 495.628 2.886 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)CC1 1300868875 IBRRVHSSSDOMCI-MAUKXSAKSA-N 463.380 2.685 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(F)c1 1300872668 GTLIVHIORAKKRA-VPWXQRGCSA-N 481.594 2.654 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccccc1 1300885943 UHNANSJMVBCJLS-BDTNDASRSA-N 474.627 2.814 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccccc1 1301165668 IJBXNWLRYWIUPD-NJDAHSKKSA-N 471.627 2.503 30 10 JFEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301179048 YZOOWRCSKJFYID-UHFFFAOYSA-N 450.587 2.881 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1301189634 YSVZZPVLHCUOHM-NRFANRHFSA-N 459.616 2.838 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1301239981 YUMRSOUYSUXAPN-UHFFFAOYSA-N 450.547 2.636 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@@H]2C1)C(C)C 1301366879 IZDLMFDZYXJTJE-DHIUTWEWSA-N 469.678 2.887 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1301436023 HXJRWWBBEDWSCM-QGZVFWFLSA-N 491.434 2.557 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1301536347 UULAABOMUOSHCY-FNZWTVRRSA-N 483.613 2.989 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccc(OC)cc2)C1 1301558050 SRFWWDPHRBCHOH-RXVVDRJESA-N 474.627 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)=O)CC1 1301568430 GSRRPXPCBDWKAH-MRXNPFEDSA-N 496.033 2.777 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@@H]1C 1301575087 BCTHJSGUUMADDP-LBPRGKRZSA-N 460.423 2.578 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1302210529 GPRDSJQFJVCZIJ-UHFFFAOYSA-N 490.616 2.842 30 10 JFEE Cc1ccc(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCC(C)(C)O)cc1 1304417909 HCBAJECSVOEWPJ-IBGZPJMESA-N 476.585 2.703 30 10 JFEE C=CCn1c(COc2ccccc2)nnc1SCCN1C(=O)c2ccccc2S1(=O)=O 1307311713 CBVOITBXGURPQR-UHFFFAOYSA-N 456.549 2.980 30 10 JFEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)c(C#N)cn1CCOC 1310522813 BHRIJZZZNWWDDN-GOSISDBHSA-N 459.547 2.628 30 10 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C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1 1359308419 NOFAGBZELPGJFD-LJQANCHMSA-N 464.574 2.622 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(OC)C2CC2)C1 1359314537 COWLABWRCZEZIT-XXBNENTESA-N 460.600 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359329568 NMVMBLMMTZANSU-UHFFFAOYSA-N 472.640 2.633 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccccc2)CC1 1359331061 MFOYXOSDGRVNBP-UHFFFAOYSA-N 454.600 2.586 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1359331282 UDBONVVWDVKNMX-QGZVFWFLSA-N 484.626 2.665 30 10 JFEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccnc1OCC(F)F 1359717719 DWJXXYYBURHVEO-INIZCTEOSA-N 483.527 2.865 30 10 JFEE CCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1499931044 HBAWPEDSDQZXIW-CPJSRVTESA-N 475.553 2.926 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1503250599 BJSSQCOGCKPUFW-NRFANRHFSA-N 488.658 2.720 30 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459.591 2.768 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1539416386 NDPDWJFAUIIZGU-DNQXCXABSA-N 499.681 2.569 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 1539423726 DNHFQXAZVJYETG-FQEVSTJZSA-N 485.633 2.970 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(N(C)C(C)=O)CC1 1539497771 OGILAGHNQZKENI-UHFFFAOYSA-N 479.448 2.860 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1539526109 DKRRTFMBDRMOHZ-KNQAVFIVSA-N 473.618 2.910 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCCS2(=O)=O)CC1 1539898518 UWBPKEOSHSXFPP-UHFFFAOYSA-N 459.616 2.912 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C)c1ccccc1 1539949528 YWKATQFVLBMOQS-CEWLAPEOSA-N 459.616 2.960 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1539968450 ZNAJCAFKPVHWNI-QFIPXVFZSA-N 489.642 2.929 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCOCC2(CCC2)C1)C(C)C 1540151430 HPZJPQVWTOUCOA-RTWAWAEBSA-N 456.635 2.935 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1540155056 JXHIKLUFDWZPAV-UHFFFAOYSA-N 453.547 2.971 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)N2CCOCC2)C1 1540885024 AAYTWJXVLYVKOD-FQEVSTJZSA-N 456.547 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](CC)O[C@H](C)C1 1540898383 IXGUSSAPBDWQOQ-HIFRSBDPSA-N 472.409 2.640 30 10 JFEE C[C@@H]1C[C@@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCO1 1543624149 IBCZULRKIHZSFZ-DYXWJJEUSA-N 486.642 2.788 30 10 JFEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)(COC)CC2)CC1=O 1555573844 CUIAIOAEZXQBFL-FQEVSTJZSA-N 466.586 2.565 30 10 JFEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)C1 1555800732 GNONICZRXOEDLW-RBUKOAKNSA-N 461.613 2.638 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3ccc(Cl)nc3)nnc12 1558946508 FXOSWMOHGFTEMG-UHFFFAOYSA-N 454.943 2.730 30 10 JFEE C=CC[C@H]1CCCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1559983434 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C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OC(C)C)CC1 1589027324 MEVJQKQADQCFKZ-UHFFFAOYSA-N 452.588 2.681 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589515344 MMBVBBCZGMGZLV-IMSXRSKXSA-N 499.612 2.675 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 1589578100 GCOUEWMIXHWCQJ-FJIDUMEYSA-N 474.524 2.877 30 10 JFEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@H](CCC3)C1 1594783825 JQJQWUDFOZAPAF-FXAWDEMLSA-N 459.616 2.921 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1594788033 DYRXOJLBPLGHBY-IFMALSPDSA-N 489.642 2.793 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCOCC1 1595094744 YCOMABOSCOEIFJ-UHFFFAOYSA-N 457.538 2.572 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC1COC(C)(C)OC1 1595536914 ISXKJPQNNXJBKH-UHFFFAOYSA-N 466.542 2.738 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1595593561 GCUGHUHETAFCLZ-XMMPIXPASA-N 457.575 2.809 30 10 JFEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1607686959 GSDBWIWUVRNESW-HSZRJFAPSA-N 452.603 2.915 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)CCc3cccn3C)nnc12 1610889020 WQHNKIQNIDRXTP-MRXNPFEDSA-N 450.568 2.798 30 10 JFEE Cc1cccc(-c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCC(=O)N(C)C)n1 1612207037 BKLXCMRVCZHVGQ-UHFFFAOYSA-N 458.570 2.715 30 10 JFEE CCCC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1 1614297272 AIOZQRFCQONKKJ-LJQANCHMSA-N 470.599 2.707 30 10 JFEE COc1ncccc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1619475233 HUWOEESRECCCHU-IEBWSBKVSA-N 483.573 2.573 30 10 JFEE C#CCC[C@H](O)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 1622820101 ATFSOVPCBUVBTL-SFHVURJKSA-N 450.605 2.603 30 10 JFEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCn2c(=O)nc(O)c3ccccc32)CC1 1626676807 GZGABZXBPGNNKP-HXUWFJFHSA-N 451.914 2.555 30 10 JFEE C#CC[C@H](CCOC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1634573933 RHIRLDKUEWSKQQ-GOSISDBHSA-N 458.536 2.807 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 1638451630 BEPNVFLGMHSPTK-IBGZPJMESA-N 452.454 2.831 30 10 JFEE Cc1cc(C)cc(N(CCC#N)C(=O)Cn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)c1 1640915124 BAXRTCPUXMAROH-HSZRJFAPSA-N 459.554 2.810 30 10 JFEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1649547588 DNTXPVCYTNHWCL-QGZVFWFLSA-N 491.589 2.627 30 10 JFEE C#C[C@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)C1CCOCC1 1678174622 SFOWSXQSTZNALE-XZOQPEGZSA-N 456.564 2.916 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCC[C@@H]1C 1689965883 FXOVRTNFJLHCLT-PMACEKPBSA-N 460.623 2.920 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)C(C)(C)C 1690088298 HWMLGAGUKSOJGY-RUZDIDTESA-N 471.577 2.871 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)CC1 1690139143 AZFVCUVTLQSIAB-UHFFFAOYSA-N 492.407 2.759 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1690142906 XLNGTMWXGRIYDO-SFHVURJKSA-N 462.529 2.913 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1690420559 OXDLTTQOYRDYLZ-RBUKOAKNSA-N 452.669 2.803 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690506460 ONLMLVCUTFBECH-UHFFFAOYSA-N 455.607 2.746 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1690510687 BTGSGRZYHKFURR-UHFFFAOYSA-N 487.004 2.609 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1690609512 QYPVNRPXFDMFAY-SIKLNZKXSA-N 495.671 2.725 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690663019 JMVQCNROWKTKOI-JKSUJKDBSA-N 490.402 2.881 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC2CC2)CC1 1690663508 YYLFNLWQYXSHDP-UHFFFAOYSA-N 459.392 2.542 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1690712349 UCBBWIVYHTYXFQ-HXUWFJFHSA-N 462.558 2.905 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1694257614 DHWJSHIBOUENIG-YTFSRNRJSA-N 452.603 2.906 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705560984 MLIBDJTVMRBBDG-APWZRJJASA-N 493.427 2.761 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570071 MEWAAUOHBXTUOD-ZDXQCDESSA-N 498.697 2.649 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705570282 NVFJKCUZSMEBIL-QHCPKHFHSA-N 463.607 2.750 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(CC)(CC)OC 1705583020 OSRCAJHAMBIYKJ-IBGZPJMESA-N 459.591 2.865 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ncccc1F 1705612746 OHFVJFRDTNRQLG-UHFFFAOYSA-N 450.522 2.525 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCN2CCC[C@H](C)C2)CC1 1705635222 UHLZBCZNQFNPCY-OZXSUGGESA-N 472.678 2.586 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705702206 FOPLNAGQMBSQHT-CTNGQTDRSA-N 455.607 2.743 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1705717470 KVWOGRCEEPQZLI-LJQANCHMSA-N 457.600 2.758 30 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PIPHUDUBJTXYMH-SFTDATJTSA-N 490.626 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705937470 UTOJOIVAUMSDNR-HKUYNNGSSA-N 481.663 2.961 30 10 JFEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc(N2CCCC2)n1 1707291777 CHNUNQPVXCZMCJ-DEOSSOPVSA-N 450.591 2.898 30 10 JFEE CCN1CCN(CCCn2c(CCc3ccc(OC)cc3)nnc2N2CCC(C#N)CC2)CC1 1710301403 CLTQDDLFUANOLJ-UHFFFAOYSA-N 465.646 2.839 30 10 JFEE CCS(=O)(=O)NCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1710896798 DOVCUOWZZZEHKE-HRAATJIYSA-N 464.567 2.627 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1OC 1711774215 BFYXNWIKDUGZMI-FUHWJXTLSA-N 486.573 2.946 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722294389 GWVXDOBRVGOFCW-QFBILLFUSA-N 469.542 2.542 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722364583 LXCAHIGSZDFHTP-LAUBAEHRSA-N 457.600 2.619 30 10 JFEE 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2.931 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1722690509 JOUZHDJIGQRESZ-IBGZPJMESA-N 491.552 2.586 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1722706984 CMBYAHUTQOOODU-ICSRJNTNSA-N 460.600 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)=O)C3(CCCCC3)C2)nnc1C(C)(C)C 1722731236 HLXMGVQFWZCNPH-UHFFFAOYSA-N 451.637 2.548 30 10 JFEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1723069827 AEOYPUOMCKSEAN-UNMCSNQZSA-N 479.629 2.526 30 10 JFEE C[C@@H]1CN(CCCn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1726732574 HHKKCENKTGEWGX-MBOZVWFJSA-N 489.418 2.936 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1740617494 SEKJJPLJRJDTLI-HSALFYBXSA-N 478.565 2.871 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740620121 NSQFGGLZWBHLLN-HXUWFJFHSA-N 491.061 2.742 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(COC)CCOCC1 1740647720 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C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(OCC(=O)N(C)C)c1 1300819139 MZPITXXDBCXYOE-AMZDPNTKSA-N 481.597 2.510 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1300823630 IBNBQFMOWZUYNY-HHHXNRCGSA-N 454.394 2.699 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300871587 YZFMIIINWRYVHC-DEYYWGMASA-N 463.380 2.684 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300905999 IFQFOTBKDQRJRE-HSZRJFAPSA-N 478.615 2.693 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301003215 HGYLVSRLFDWENX-PMACEKPBSA-N 482.647 2.533 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CCCC)CC1 1301126636 XFFIPAAUHRNXFG-VXKWHMMOSA-N 494.706 2.668 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(C)C 1301367822 UCWTWNZNFKZXPK-LFAGZIFBSA-N 467.618 2.818 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nc(C)cs2)CC1 1301491146 FBQBYEGBJVBRLI-UHFFFAOYSA-N 457.991 2.992 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301577550 LEDHSASJYNKSHK-IRXDYDNUSA-N 494.459 2.981 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2ccc(O)cc2)nnc1[C@@]1(OCC)CCOC1 1301596481 QFAVNQSTXZTNOG-NZQKXSOJSA-N 476.599 2.578 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2Cc2ccc(C)n(C)c2=O)n1 1304744827 APJGOZSDNFKJKW-UHFFFAOYSA-N 450.591 2.961 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)CC(F)(F)F 1358886168 ZCKGUELFPQQEFU-HNNXBMFYSA-N 471.553 2.580 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1358933717 CDTYSPJSXSRZGG-UHFFFAOYSA-N 466.630 2.913 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358966374 NNAXXIWZERQADA-DEOSSOPVSA-N 483.682 2.956 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)CC1CC1 1358989199 SVSMAEQPJBPCHW-UHFFFAOYSA-N 460.987 2.895 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Br 1359056353 CZHRASNLVBASQM-INIZCTEOSA-N 483.457 2.946 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359087284 ZSRBDEXPRPAVQO-HUUCEWRRSA-N 465.421 2.851 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359104900 HGTSCXFUCXSKOH-QSAZIKIQSA-N 458.559 2.867 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1359132406 WUQYEQMDQLTPPR-RBBKRZOGSA-N 457.550 2.911 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359198193 KSYRYVJXWICZOJ-HZPDHXFCSA-N 454.622 2.587 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359210441 SXHDEKSDUFABSV-WZONZLPQSA-N 475.615 2.546 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1(C(N)=O)CCOCC1 1359254001 AYFKDLTUEYIMIP-UHFFFAOYSA-N 462.554 2.823 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC1(C(N)=O)CCOCC1 1359255182 QYEAEODTVDTQJW-HXUWFJFHSA-N 455.559 2.613 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1359259821 JKBPADBVGBMXID-UHFFFAOYSA-N 459.547 2.545 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1359295806 OERGTGOICRPIGQ-UHFFFAOYSA-N 478.944 2.971 30 10 JFEE CC(C)(C)OC(=O)N1CC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)C1 1360780168 DWNWQWSSFXPMDE-XMMPIXPASA-N 480.573 2.922 30 10 JFEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 1463933075 AILIWEXFPNBYPW-CYBMUJFWSA-N 452.458 2.999 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)[C@H](C#N)C1 1469727722 BHORCLKGPVGDFC-BMFZPTHFSA-N 453.337 2.541 30 10 JFEE CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1470032242 GJMBXXXCCNZSLL-IIBYNOLFSA-N 454.552 2.513 30 10 JFEE C=CCn1c(SCC(=O)N2C[C@@H](CO)[C@@H](CO)C2)nnc1-c1ccc(Cl)cc1Cl 1471319805 LCNQJEDIXOLILG-BETUJISGSA-N 457.383 2.589 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1501566466 GHVNVNDPTAXYHI-RDPSFJRHSA-N 483.594 2.948 30 10 JFEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1503829746 DFIFZYCQICQSHP-UHFFFAOYSA-N 484.607 2.527 30 10 JFEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)CCO1 1504733681 CULSHMSPHGDBQE-PKTZIBPZSA-N 468.602 2.701 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507624796 DMBQMPJZTWOBHB-GOSISDBHSA-N 479.393 2.775 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507628097 NDQAKOBRZCLBQL-PKOBYXMFSA-N 490.651 2.875 30 10 JFEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507632722 AGZCAPCBMUHJHX-SIKLNZKXSA-N 488.610 2.623 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1507633520 GXOIBRLQHVAWLT-NRFANRHFSA-N 458.628 2.867 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507640044 OAXVRBQEXIORMA-ZVDOUQERSA-N 490.601 2.828 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCN(c2ccncc2)CC1 1507644992 SUQGLGDEGSZMNS-UHFFFAOYSA-N 475.000 2.674 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1507717385 AITFHCGLNHGKDQ-UHFFFAOYSA-N 496.413 2.589 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCCN2CC)CC1 1507733997 FALHZPNCQUMDAC-JOCHJYFZSA-N 464.614 2.794 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1507748906 VLLHSMRHAZCVDE-SBUREZEXSA-N 458.584 2.713 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1507810774 MADYMHGPLZPRRG-PIBIMKELSA-N 458.559 2.697 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1507824517 BCLGQAQISUOXSF-SFHVURJKSA-N 485.614 2.922 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1507865389 QATAGOHENGEMII-IBGZPJMESA-N 466.007 2.577 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1508072522 QSMWEKMQOLFBOG-NRFANRHFSA-N 476.585 2.796 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508075184 OYWRRKQZBJFVFG-RTBURBONSA-N 486.592 2.549 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)C1 1508109309 QFOSVPFQSJQWDX-LEWJYISDSA-N 469.586 2.722 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)[C@@H]1C 1508135282 ZUZIHIPKSYQGIF-INIZCTEOSA-N 477.656 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1508136891 ITVKPPWJSPFMIO-NQIIRXRSSA-N 455.584 2.851 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)[C@H](C)C1=O 1509429256 CGUSUSAFTCKCKO-LJQANCHMSA-N 495.628 2.727 30 10 JFEE CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)s1 1513704078 CWUUNXMTHOCBET-UHFFFAOYSA-N 461.555 2.625 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nccc(C(F)F)n1 1538976819 PTYCGWGMQVSRTG-ZDUSSCGKSA-N 474.541 2.780 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCNC(=O)c2cccs2)c1 1539045351 CJQLZAGOVJGAEK-UHFFFAOYSA-N 499.600 2.812 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539204762 DBHIFWDDMWORCF-ZVZYQTTQSA-N 463.401 2.990 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1CCS(=O)(=O)CC1 1539320492 VCDGDGWXFSLCSE-UHFFFAOYSA-N 475.412 2.995 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCN2CC)CC1 1539459350 FOCPWLSEOJCYGM-FQEVSTJZSA-N 487.446 2.859 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1539526078 JECGWNYVEASIIZ-UHFFFAOYSA-N 473.046 2.743 30 10 JFEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H](C)C1CCC1 1539599567 HSYMTOWKTNHNEK-ZBFHGGJFSA-N 476.441 2.535 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)(=O)CC1 1539620681 MMJCWWVTEZDHKE-SJLPKXTDSA-N 468.526 2.763 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539683485 SFDQLRRSWJKQJQ-HXUWFJFHSA-N 458.994 2.739 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539752787 ZSLOEMGHCGPDNH-JOCHJYFZSA-N 452.559 2.782 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1539903362 XRKMLYCPVBHZMU-MRXNPFEDSA-N 452.519 2.797 30 10 JFEE C=CC[C@@H](Cn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccccc1 1539940582 SNKDLYQGIQPDIB-QHCPKHFHSA-N 464.614 2.887 30 10 JFEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1539953797 VJFGUPIHPPGPOS-JOCHJYFZSA-N 459.620 2.605 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1539982809 RQMPGRMSJHEGOT-JTDSTZFVSA-N 451.568 2.960 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1540879191 VZCJGJVIGOVMMM-NRFANRHFSA-N 467.595 2.890 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1540897695 PQECNMORGPUZBM-YLJYHZDGSA-N 475.615 2.613 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCC 1540905749 VTANJNQZEBGKRM-ZWKOTPCHSA-N 485.651 2.812 30 10 JFEE C[C@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1cccc(Cl)c1 1541954186 DRNBABKXGYLWSW-FCHUYYIVSA-N 469.908 2.928 30 10 JFEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCCC2)cc1 1554978783 FUXHSBPGNIWYPT-FGZHOGPDSA-N 454.575 2.715 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)OC(C)(C)C 1587574436 HRDGXGRKWDHYCE-OAHLLOKOSA-N 475.619 2.529 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCN(C(C)C)CC1 1587984608 GSWQGOIZVAKEQT-UHFFFAOYSA-N 474.650 2.697 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1588053587 FXWKLMRJFAEQEM-INIZCTEOSA-N 482.532 2.614 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1nnc(C)s1 1588138292 BXGLUAWAFKCDFD-UHFFFAOYSA-N 469.615 2.868 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1OC 1588233220 DMOBSSQDMUPNJH-ACRUOGEOSA-N 471.602 2.865 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1588751393 KGSPYBVLBFWYJB-RPBOFIJWSA-N 491.684 2.518 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCN(C)C(C)C)CC1 1588811132 APIKXTCAFCBSKE-JOCHJYFZSA-N 487.693 2.878 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2scnc2C)CC1 1588899648 UEUMKVNXHYJZED-UHFFFAOYSA-N 459.579 2.790 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1588975202 FFQXMZBHPCRXES-UHFFFAOYSA-N 468.627 2.525 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1589088739 HCTLKDALELQUFM-QHCPKHFHSA-N 454.575 2.860 30 10 JFEE C=C(C)Cn1c(N2CCCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1593684029 RCOMZSJIZFMECA-XMMPIXPASA-N 457.550 2.998 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1594013582 IHJWOYFBWCGEOJ-IRXDYDNUSA-N 470.640 2.594 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1594202894 VAIPZNONWRLEQY-HXUWFJFHSA-N 486.686 2.777 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1594895649 LZTGFLKSOVZOPC-IBGZPJMESA-N 469.615 2.900 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1595576941 CSMHDJCNSPVHQZ-FQEVSTJZSA-N 452.603 2.778 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2ccccn2)C1 1595688097 FLVHAKLOROAPHM-OAQYLSRUSA-N 482.610 2.614 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1617561792 ABLVFSGUQZOGHW-LJQANCHMSA-N 463.546 2.554 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1619909533 AHMKLTZKJSRAKW-IBGZPJMESA-N 482.610 2.993 30 10 JFEE COc1cc([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1OCCO 1660438307 AVIYRDXWOKFLNC-LBPRGKRZSA-N 455.330 2.740 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1666585774 MEFDZZHBIYOBEC-UHFFFAOYSA-N 450.582 2.857 30 10 JFEE C=CCN(CCc1ccccc1)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1666878397 IKCOBZKYDUMPEC-UHFFFAOYSA-N 451.346 2.920 30 10 JFEE C=CCSCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1680017709 RQSXHYKVQBOVSD-QZTJIDSGSA-N 454.637 2.843 30 10 JFEE C=C(C)COCCNC(=O)N1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1680423997 IDLATVRSDMFGRI-DEOSSOPVSA-N 450.583 2.964 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCCN2CCOC2=O)c1 1689873492 LCWONFXXTVICOM-UHFFFAOYSA-N 478.578 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2.829 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@@H](C3CCC3)C2)cc1 1740966596 UQMAXBJEKDWBTJ-RXVVDRJESA-N 489.642 2.754 30 10 JFEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccco1 1741950519 BTGKBTHTDQOZKL-CVDCTZTESA-N 469.567 2.721 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1748664956 LJJOMVCQAQRWGD-QGZVFWFLSA-N 471.565 2.578 30 10 JFEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748724280 QLJBDLXBZGMFLE-BWKNWUBXSA-N 489.624 2.521 30 10 JFEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1748745991 WYVPGSPRPOPTOH-LJQANCHMSA-N 469.611 2.880 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748804475 IIFIUKBFKCYHBT-PMACEKPBSA-N 497.587 2.941 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1748810206 TUIIAZYMKSIMPH-NLFFAJNJSA-N 482.606 2.998 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1conc1COC 1748869125 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OFPZZGVFNXKYOW-UHFFFAOYSA-N 452.603 2.593 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1749456949 NPIHNMUJMISHFC-OTWHNJEPSA-N 474.606 2.658 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](COCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681524 CZYHGYNBCWDERO-QRVBRYPASA-N 476.622 2.604 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749690631 ZPNXHTKDHRRUCV-FQEVSTJZSA-N 453.568 2.500 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)N1CCC(C)CC1 1750751477 DUOWWEBDCJIBSP-RTWAWAEBSA-N 465.650 2.974 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1C 1751318294 AXVJWPOSYSLPPZ-SELNLUPBSA-N 490.605 2.758 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1760147145 IQUPLIITUSFVFD-GOSISDBHSA-N 457.600 2.614 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1760155027 NYLSSDSSZDFMPP-UNMCSNQZSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760187217 UHMAGFMJVRGWEX-SIKLNZKXSA-N 490.073 2.881 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760224286 DVNDLPMCASACHS-UHFFFAOYSA-N 491.596 2.861 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2Cc2cnn(C)c2C)n1 1760251998 JFJVFQDIKVPBAH-UHFFFAOYSA-N 462.533 2.657 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)s2)CC1 1760264701 CNBJHBSWBNIVDS-UHFFFAOYSA-N 498.012 2.849 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314714 RJCHHLHGILKPHE-CJNGLKHVSA-N 469.302 2.995 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760352527 ZINJQWMTMDYIAE-QGZVFWFLSA-N 469.405 2.924 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760517995 DXJDEWNJTNDESF-QGZVFWFLSA-N 489.020 2.898 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1 1760529716 KCZLFRMXRPIEPS-SFHLNBCPSA-N 473.643 2.712 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760557792 WJEVFTZRQUDVDE-OAQYLSRUSA-N 476.643 2.924 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1760559641 JKDMXCHDGPTYHW-MRXNPFEDSA-N 465.645 2.687 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760561733 KOAISLWLFVQFFV-INIZCTEOSA-N 453.971 2.998 30 10 JFEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760563305 MWWQCTIUFCTROU-UHFFFAOYSA-N 453.609 2.912 30 10 JFEE CCCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCC(=O)NC(C)C)c2ccccc2c1=O 1764492593 AFJYMICORWHWGQ-UHFFFAOYSA-N 476.585 2.720 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1766698783 CLEVODWPGMCZJH-OAQYLSRUSA-N 484.582 2.659 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)N3CCN(CC)CC3)cc21 1858830230 VITQYIDUKLIDKW-SFHVURJKSA-N 493.564 2.813 30 10 JFEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C1CCN(Cc2cccc(F)c2)CC1 1861184505 MAIUQGXQOXCBBQ-RUZDIDTESA-N 481.568 2.993 30 10 JFEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(c2c(CC)cccc2CC)C1 1861622393 TVNIYHWGYKRYRQ-GMAHTHKFSA-N 463.578 2.900 30 10 JFEE CCOc1cc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862461692 LLWGWIYDPDMJIT-FQEVSTJZSA-N 478.423 2.923 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862484139 LXBLUIPPNOOUJS-HXUWFJFHSA-N 454.435 2.899 30 10 JFEE COc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862528486 XKAODOQTGSLXIH-IBGZPJMESA-N 489.322 2.878 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1O 1862755184 YPRZKSLFYRKADW-HXUWFJFHSA-N 464.434 2.853 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCN(CC)CC)=C(N)Oc2c1c(C)nn2C 1864315976 CLEXFWPJOFKARE-OAQYLSRUSA-N 453.587 2.836 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1cc(Br)ccc1O 1864431771 WOPFZYVJWRBQFG-NSHDSACASA-N 473.249 2.904 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1864765615 FLYJRNKQPIITBC-SFHVURJKSA-N 467.913 2.940 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(CO)CC2)=C(N)Oc2c1c(C(F)(F)F)nn2C 1865224716 AOUYBBCHNJXEMW-KRWDZBQOSA-N 492.498 2.929 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C(C)=O)CC2)=C(N)Oc2c1c(C)nn2CC(C)C 1865225660 XNCTZJKSFLHRQS-QHCPKHFHSA-N 493.608 2.798 30 10 JFEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(Br)cc2)cc1 1870095840 VWXONZVFPBTVNP-UHFFFAOYSA-N 461.301 2.661 30 10 JFEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc(OC(F)(F)F)cc1)N1C(=O)c2ccccc2C1=O 1870142978 PYKCOZBIWNICCQ-NSHDSACASA-N 470.367 2.661 30 10 JFEE COc1ccc2c(c1)/C(=C/C(=O)Nc1c(C#N)nnn1-c1ccc(N3CCN(C)CC3)cc1)CC2 1870150818 TYWRXTNRSXMSCJ-XDJHFCHBSA-N 469.549 2.868 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC)cn1C[C@@H](c1ccc(O)cc1)N(C)C 1870450629 ZHPFEOVRDGCEIT-QFIPXVFZSA-N 455.555 2.583 30 10 JFEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1cc(OC)cc(OC)c1 1873711172 JVYHSBJCWWFZMC-UHFFFAOYSA-N 453.520 2.943 30 10 JFEE COC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874297166 NJRJGTWPCBYQKD-KEBDBYFISA-N 472.439 2.538 30 10 JFEE CCOc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c1 1874436094 LXAWCZPSGXVWBW-VULFUBBASA-N 466.567 2.604 30 10 JFEE COc1cc(/C=N/n2c(S)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1O 1874570108 MLZBFAJALSHUDE-IMQYADFFSA-N 453.524 2.688 30 10 JFEE CN(C)CC#CC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1891007280 SMUKMXDYPZKLSH-NRFANRHFSA-N 452.020 2.687 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2180969316 WCAXZCYAAAVCJD-UHFFFAOYSA-N 459.396 2.791 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](C(=O)Nc1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2180970915 SXWPVOZHLROHSQ-YQQAZPJKSA-N 458.368 2.607 30 10 JFEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194121707 BFRRERUZYMNRAK-PEBXRYMYSA-N 461.372 2.538 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255745488 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ZAFGFIKRDYFNCN-FQEVSTJZSA-N 455.584 2.549 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1540916620 ZLSHFURBUCVDLH-LJQANCHMSA-N 472.590 2.640 30 10 JFEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)N1CCCCC1 1541239031 BNFIPZUMSVVHQU-UHFFFAOYSA-N 485.658 2.599 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 1542647616 DHNRELVDEMWLTP-LJQANCHMSA-N 459.978 2.939 30 10 JFEE CCS(=O)(=O)N1CCC2(CC1)C[C@@H](C(=O)NC1CC1)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548381750 FZDSZEXBEDJCOF-IBGZPJMESA-N 484.544 2.866 30 10 JFEE CCNC(=O)N1C[C@@H](C(=O)NC)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548393531 WQSZXWKFWBIPPG-ZWKOTPCHSA-N 451.493 2.817 30 10 JFEE Cc1cnn(CC(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]3CO)c1 1548411650 CPYYDIVUXSZLBR-GOSISDBHSA-N 461.488 2.820 30 10 JFEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1552667115 FLPAMDOFPNHNMC-UHFFFAOYSA-N 465.602 2.816 30 10 JFEE COc1cc(Cl)ccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1554776936 DYOUOWDNPULXRR-INIZCTEOSA-N 472.958 2.709 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 1564417585 ZZCBRPNWDJBGQZ-UHFFFAOYSA-N 458.422 2.656 30 10 JFEE N#Cc1cn(CCC(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c(=O)nc1O 1570080132 GARTUHHHYYNAFK-HXUWFJFHSA-N 452.898 2.938 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccc(C)s1 1587599416 MYKWQRHJZQVXST-ZDUSSCGKSA-N 465.004 2.800 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1588035949 ZYWUTPQKIGFSBL-FUHWJXTLSA-N 466.991 2.735 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(COC)CCOCC1 1588133355 DTTIKOQZORMQOP-NRFANRHFSA-N 485.629 2.909 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nncn2CC)CC1 1588865120 PULKUONHUMWPOH-UHFFFAOYSA-N 462.602 2.704 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CC2)CC1 1588967968 CPIJHNSVHRGDPM-UHFFFAOYSA-N 460.003 2.715 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1589294827 BCMQVPPWJCTGDY-RDJZCZTQSA-N 484.420 2.683 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1589484914 WAMJBLDLPFIBSK-IRLDBZIGSA-N 495.628 2.956 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1595239179 GEKZSRAYKHMZQW-HYBUGGRVSA-N 454.644 2.902 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1595330054 INYFEIFRQXVXIC-LBPRGKRZSA-N 458.357 2.503 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1595648353 BRRLLNRJNBPCII-UHFFFAOYSA-N 496.015 2.817 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1595723376 VOIYNLUVKOLWJW-CTNGQTDRSA-N 460.600 2.947 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2nc(C)no2)CC1 1595772566 CKFQTMZTEXEFJS-UHFFFAOYSA-N 477.978 2.670 30 10 JFEE Cc1cc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC[S@@](=O)C(C)(C)C)CC2)on1 1612648026 DHTVLPCNHZFZGT-UUWRZZSWSA-N 481.626 2.983 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1616004332 HEOMZDFYAJNJQZ-SFTDATJTSA-N 470.574 2.829 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1619544518 ICCKYFJEUOQFME-IEBWSBKVSA-N 495.502 2.674 30 10 JFEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCCC1 1619784886 ATERUJOZUAPSHZ-QFIPXVFZSA-N 466.586 2.755 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 1626364539 QDQVQDPAHMBVFA-VBKZILBWSA-N 456.524 2.780 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c1 1633455671 NPKBDFRXPRPAFO-MRXNPFEDSA-N 451.495 2.761 30 10 JFEE C=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1CC)C(=O)OCC 1643353273 ISCFJNLJPWZGRX-UHFFFAOYSA-N 450.586 2.961 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(C(=O)NCc4ccccc4)c3)CC2)c1C#N 1668508340 HVJGTGNWUMCUAV-UHFFFAOYSA-N 457.538 2.884 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCO1 1684365445 APAIYRWLULKDAQ-LAUBAEHRSA-N 457.575 2.851 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCN2CCCCC2=O)c1 1689872356 WJUDEERQAXFVGQ-OAQYLSRUSA-N 478.597 2.631 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689881280 LVTVHFSJSYOAIQ-OAQYLSRUSA-N 480.569 2.532 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689987894 DYHGXQIQSSJDSA-QGZVFWFLSA-N 488.664 2.914 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689988716 UWPMAVFPXSWYOG-MRXNPFEDSA-N 494.543 2.547 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1689993466 FAXXTPHQTZNBKX-HXUWFJFHSA-N 499.618 2.784 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2CC2CCN(C(=O)OC)CC2)n1 1690109081 GEEODNMFDBNCSP-UHFFFAOYSA-N 483.617 2.897 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C(C)C)N2CCCC2)CC1 1690133644 OKDIIYJETBUDKC-JOCHJYFZSA-N 466.630 2.741 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690171052 VSGSLFDJWWBMCD-KRWDZBQOSA-N 479.610 2.845 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690182953 IIWWFWGKPWZXGR-IBGZPJMESA-N 473.647 3.000 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1690184934 QXWAZAVUQRRQRQ-UHFFFAOYSA-N 463.007 2.728 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1690238491 KDRNWBXLWOKEOA-GCJKJVERSA-N 469.586 2.906 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1690262869 RJWHQHVOALLFRC-UHFFFAOYSA-N 451.575 2.850 30 10 JFEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690474019 OQEHNJRLITYZMC-UHFFFAOYSA-N 455.531 2.984 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1690508963 TXNRYUPGFMUYHN-GOSISDBHSA-N 494.637 2.530 30 10 JFEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690655014 DMUFLQBADADBNC-SJLPKXTDSA-N 480.660 2.659 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)S[C@@H](C)C1 1690720335 GAAQYUVYSYNDSC-GJZGRUSLSA-N 450.586 2.605 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690731669 PRUFMLWELBBAGJ-IXFSTUDKSA-N 497.662 2.655 30 10 JFEE Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(CCC#N)CC2CC2)c(=O)n1C 1693088496 HOYNBAOIWUPNDZ-UHFFFAOYSA-N 480.594 2.534 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)CC1 1694223554 CHHFCUXOSBNTOH-WIYYLYMNSA-N 467.643 2.749 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(C#N)C1 1696489212 GIQWLOOICGHSCT-HSZRJFAPSA-N 488.614 2.518 30 10 JFEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705525286 CVMRQQWATQDQOS-FQEVSTJZSA-N 485.430 2.864 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705560489 LAXLCELXWHKXGK-AZUAARDMSA-N 492.045 2.794 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1705562663 HOJKVDIVLJLWGM-JOCHJYFZSA-N 496.637 2.790 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCCC2)CC1 1705646623 KHSUBEVMIJADDL-UHFFFAOYSA-N 460.582 2.868 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705652183 RTLGAQXQBMGYQR-UHFFFAOYSA-N 464.551 2.699 30 10 JFEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1705690757 GXVRWNJWRBHIOK-UHFFFAOYSA-N 475.434 2.968 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705731496 ZELIELPVDYYKCU-GOSISDBHSA-N 475.391 2.856 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 1705733240 QSAISGYLEQYJJN-UHFFFAOYSA-N 455.378 2.535 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705754229 STHIJWBLSURYPW-ZACQAIPSSA-N 464.998 2.860 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)CC1 1705764765 MPIPJIVTKXIOHC-GOSISDBHSA-N 457.575 2.848 30 10 JFEE C=CC[C@H](Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1705797808 CUKWUVACTJHJSX-LGVFNWMJSA-N 474.627 2.913 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705800224 RIONEYHIQAMCOH-OAHLLOKOSA-N 465.480 2.787 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1705810743 GVSWLWZXXYQPOY-UHFFFAOYSA-N 458.950 2.907 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1705819177 FLDKOIRRFPKLIH-OALUTQOASA-N 479.672 2.718 30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1)C1CC1 1705854273 JOOPQOAEZVKKAD-HNNXBMFYSA-N 471.505 2.719 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1705860033 ABCOMVQDRLIDDA-OAQYLSRUSA-N 454.600 2.719 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1705885579 XETHWWRPUHUXOF-IBGZPJMESA-N 488.589 2.677 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1705895254 ZOZIIIUSJIXXSH-UHFFFAOYSA-N 476.585 2.999 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)Cc2ccccc2)C1 1705929837 YUMJGTNCBQYFHH-JOCHJYFZSA-N 463.586 2.580 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705937045 GUAJCGITHNXUNX-OKILXGFUSA-N 459.588 2.962 30 10 JFEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1706499995 GUUQSHWJLMUKAO-QHCPKHFHSA-N 465.646 2.953 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1N(C)CCCC1(C)C 1722278748 FGGDDSIDGWFUHZ-GHTZIAJQSA-N 472.659 2.774 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(CC)S(C)(=O)=O 1722282161 XHLDGLHCNVTRDT-GOSISDBHSA-N 454.600 2.931 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1722306678 NADPAFDBXNFFQN-UHFFFAOYSA-N 468.989 2.933 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC(=O)NCc2ccco2)c1 1722308889 HNVULYIKKKARLQ-UHFFFAOYSA-N 460.538 2.901 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1722354452 FSDZMUNJHBUEQP-WOJBJXKFSA-N 460.623 2.776 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722366086 PBJQXICBXCXANT-GCJKJVERSA-N 467.570 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(CCC)CC1 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C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)CC1 1722583379 UIXIAEWMMGTFTR-YADARESESA-N 460.623 2.819 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1722594474 MJXRDLLAHFYGSI-NRFANRHFSA-N 480.613 2.605 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1722596775 NHIAIJOFTDYIGU-NNWRFLSQSA-N 473.643 2.908 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722695751 OPOAIMSYPFGDLN-LJQANCHMSA-N 465.558 2.894 30 10 JFEE C[C@H]1CC[C@H](C)N1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1723821862 FCSFDUWDVWZJSJ-FDFHNCONSA-N 464.662 2.762 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740556869 GODMZFXQOYEHBT-OFNKIYASSA-N 461.614 2.682 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCN1CC 1740560827 QCWSMJKOZRNMPK-NOZRDPDXSA-N 463.674 2.975 30 10 JFEE C#CCCCCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740579001 NXWAGECGOQJLJJ-AREMUKBSSA-N 472.678 2.729 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCS(C)(=O)=O 1740592047 YRFHXOWSCMQCOQ-GOSISDBHSA-N 467.636 2.677 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740595960 OBQCQXBASBSJNI-BWKNWUBXSA-N 494.640 2.658 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740597631 RBKKGIWGQDYGRD-HXUWFJFHSA-N 452.515 2.939 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1740617731 WLGNOROABCAYSE-SFTDATJTSA-N 487.029 2.997 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740624386 GBWMRVOZFIEVLR-XZOQPEGZSA-N 469.655 2.678 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740625302 NBHLSZFVZGKRBJ-RTBURBONSA-N 461.657 2.668 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740645532 OZTPDYFPAFZKGK-KRWDZBQOSA-N 478.043 2.578 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1740696845 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2.784 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)n1 1286470878 DJKWMBUQJOSWNF-UHFFFAOYSA-N 470.512 2.882 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(OC)nc2OC)CC1 1286476066 MWXLDRPJEAXGNV-UHFFFAOYSA-N 497.397 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2cc(C)ccc2OC)CC1 1286489910 HRJIJNRBZKRMKJ-UHFFFAOYSA-N 460.582 2.809 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1286521554 AEOWFVUNSIYNPC-MGPUTAFESA-N 483.516 2.665 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286607100 BDJMMGSPWZQGMR-IBGZPJMESA-N 460.600 2.653 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1286632158 HGDPPCHBVQFRQZ-IBGZPJMESA-N 465.023 2.847 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1286746339 VYTYIPDVYFXHPS-OAQYLSRUSA-N 489.642 2.620 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/CC 1286748978 HMUBKAAKTNVTDY-IPLHWJFFSA-N 451.618 2.831 30 10 JFEE 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30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300766068 QTTBOYGXZCGGAB-INIZCTEOSA-N 460.554 2.554 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1300777440 VWUOYGXOGPLYKG-RBBKRZOGSA-N 469.655 2.943 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2cc(C)cn2)CC1 1300778674 DBCQXWSGYCJBTH-SFTDATJTSA-N 458.632 2.790 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1300789638 SFANAHJQLVQMQZ-FGZHOGPDSA-N 474.403 2.775 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1CCNS(C)(=O)=O 1300814011 YMOBDJCWCDDAPB-JOCHJYFZSA-N 480.034 2.793 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCCCC2=O)CC1 1300871242 XSWQPROYQZIOJC-QTEQDKRBSA-N 475.634 2.965 30 10 JFEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNC(C)=O)CC1 1300989365 AFUGFYCQYSZIJS-JOCHJYFZSA-N 455.559 2.736 30 10 JFEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2nnc(C)o2)C1)c1ccccc1 1301003947 RJJNKAFDMPOFDJ-PXNSSMCTSA-N 454.531 2.985 30 10 JFEE 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2282089617 COEQTGADGNVPQD-HOCLYGCPSA-N 454.298 2.966 30 10 JFEE CN(Cc1n[nH]c(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1)C(=O)OC(C)(C)C 2282181641 IUGWCCIEHGJSCD-UHFFFAOYSA-N 457.340 2.723 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@H]2C1 2282334228 YXPQXVGPIBLDBT-QLPKVWCKSA-N 498.476 2.971 30 10 JFEE C[C@@H](C[S@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2282547179 PWBNXTHJFYRHPU-KMWOBCOYSA-N 485.387 2.671 30 10 JFEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282566244 VWYNCJAPPZNOQK-RBUKOAKNSA-N 452.408 2.702 30 10 JFEE Cc1nn(C)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282574620 QYDMBMGKSGCYCH-YLJYHZDGSA-N 452.408 2.526 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C 2282575528 DMXGWQIAVJDPBC-JKOKRWQUSA-N 475.342 2.668 30 10 JFEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2282600154 SLBZNGBJVUMFDQ-YLJYHZDGSA-N 452.408 2.526 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2282686109 OFKDBSVAAIXFAB-IAGOWNOFSA-N 457.380 2.710 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2282835174 QEKHKCUEAVKRAC-ZWKOTPCHSA-N 478.420 2.677 30 10 JFEE CC(C)(C)OC(=O)NCc1nocc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283985615 LLDLTANXOGBPHX-UHFFFAOYSA-N 462.287 2.785 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2284054800 JILUFCISVZWSMZ-IRXDYDNUSA-N 478.420 2.590 30 10 JFEE CCOC1(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2284061514 XJOJKEQSANXSPC-UHFFFAOYSA-N 481.786 2.999 30 10 JFEE COC[C@@H](CC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21)NC(=O)OC(C)(C)C 2284069107 MEEVLAAPRIUOSJ-MRXNPFEDSA-N 460.380 2.805 30 10 JFEE Cc1csc(CNC(=O)[C@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2284131202 YZBFBUYILRRPGL-JKSUJKDBSA-N 480.436 2.732 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2285213879 ZXHVWRIUIXMCSB-FYSMJZIKSA-N 457.380 2.819 30 10 JFEE CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2286418834 CCDMTAMGLVMTME-XMMPIXPASA-N 471.432 2.541 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315696402 YAPFPZQPRYUXBM-KBPBESRZSA-N 451.398 2.866 30 10 JFEE COc1cc([N+](=O)[O-])cc(C=NNc2nc(O)c3c(n2)CCN(Cc2ccccc2)C3)c1O 2323261886 XFGPIEICZLOOPI-UHFFFAOYSA-N 450.455 2.809 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337402503 ZUMYAYRLYJCAFL-PEBXRYMYSA-N 463.409 2.962 30 10 JFEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343823484 MZLYRLRPFNDKMW-UHFFFAOYSA-N 487.859 2.773 30 10 JFEE CC1(C)OB(c2sncc2C(=O)N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2362503868 VZOYBUCNOPKZHZ-PMACEKPBSA-N 469.416 2.558 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364929278 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NDUFAAYTBORRMR-RJHNZLOYSA-N 475.545 2.591 30 10 JFEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCN(C)C)Cc1ccc(C#N)cc1 586152276 FTSXHXURUAVFPD-UHFFFAOYSA-N 470.595 2.836 30 10 JFEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCOC 726178989 RRNDQENLPKZDQN-UHFFFAOYSA-N 463.943 2.626 30 10 JFEE Cc1c(Cl)cccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729668558 NFMFQHWUPFVZHC-UHFFFAOYSA-N 477.977 2.536 30 10 JFEE O=C(O)CC1(NC(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 757470198 CUVUYAZTYMUTMT-UHFFFAOYSA-N 462.502 2.669 30 10 JFEE COc1ccc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1S(=O)(=O)N1CCCC1 852367608 CFXDJCRUYOHYEU-RKDDFOCISA-N 491.610 2.956 30 10 JFEE CCOc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084028486 BNFXZTUKCPODKX-UHFFFAOYSA-N 472.575 2.576 30 10 JFEE COc1cc(NC(=O)CCSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)ccc1Cl 1084575132 VGPKXNNVUCELRJ-UHFFFAOYSA-N 477.982 2.998 30 10 JFEE CCC(C)=NNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)n[nH]1 1084576271 PECIBMSJLTZFBL-CYBMUJFWSA-N 453.594 2.810 30 10 JFEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)c(C#N)n2)c(OC)c1 1130036312 HXMUYQAAYQNZEZ-MRXNPFEDSA-N 459.300 2.976 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(OC)c(OC)cc1I 1130824494 MQBYPDFBIRGTAK-UHFFFAOYSA-N 459.280 2.726 30 10 JFEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)CC(N)=O)ccc1Cl 1272902948 NAXDDQHZUXQERN-ZDUSSCGKSA-N 453.923 2.854 30 10 JFEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1286377825 IAGNHGXXFUHXOP-UHFFFAOYSA-N 453.587 2.505 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1286386332 YRBQSGBYEHVBTF-BVYCBKJFSA-N 499.637 2.584 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)N(C)C 1286425396 YQMYKGOUDGRFDR-JOCHJYFZSA-N 471.594 2.748 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1286483789 YYSYTPOTFOISHH-DHIUTWEWSA-N 464.658 2.706 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2nccc(C(F)F)n2)CC1 1286484315 LUZUEEAVGFTHJI-UHFFFAOYSA-N 483.523 2.787 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc(CC)n2)CC1 1286492875 QMKJUGZFYOEZLG-UHFFFAOYSA-N 489.605 2.762 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286518063 PKFYYJISPOYPGN-DNQXCXABSA-N 456.612 2.784 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286567131 PJTMNMJZWZGVCY-HMFYCAOWSA-N 478.590 2.991 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286588334 BSWBOJHSJUAQIL-UHFFFAOYSA-N 493.381 2.997 30 10 JFEE C=C(C)Cn1c(N2CCN(Cc3ccc(OC)c(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1286599528 WPDNBEGJAZBIIX-DEOSSOPVSA-N 459.566 2.976 30 10 JFEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1286677913 MFMPGMRBGHWTHV-LJQANCHMSA-N 466.567 2.520 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286707746 ILNBDDKFUWKIBC-LJQANCHMSA-N 470.599 2.669 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)c1ccccc1 1286723791 AEXSUMUGMUJTNX-UHFFFAOYSA-N 467.599 2.548 30 10 JFEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286771318 JBFMZCLNXWFMQW-INIZCTEOSA-N 491.434 2.939 30 10 JFEE C=CCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777627 JFCKKVPHMNAFJH-HDICACEKSA-N 473.622 2.961 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286779319 GKDXSDROUSNTBG-UHFFFAOYSA-N 460.966 2.815 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccc(Cl)nc2C1 1286780259 SEMPZEVNOACJHH-UHFFFAOYSA-N 490.793 2.959 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(F)c(Cl)c2)nnc1[C@]1(OCC)CCOC1 1286792773 HMMHNJFEBDDSHO-NRFANRHFSA-N 451.930 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 1286817760 YNYGRTCLWOFHHA-IBGZPJMESA-N 489.642 2.628 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286832608 LXRLOGVKKBOKTI-PKOBYXMFSA-N 454.604 2.816 30 10 JFEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 1286886268 BQTUIPTXBYUNNP-WMZHIEFXSA-N 479.629 2.621 30 10 JFEE C=CC[S@](=O)(=NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 1289586552 KNGGWESJEYRSTM-MUUNZHRXSA-N 454.595 2.551 30 10 JFEE CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1293816420 DKNZCPHVTFDSOF-RDPSFJRHSA-N 452.559 2.700 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)s1 1299359919 GFBPTMVVORZJSM-HNNXBMFYSA-N 457.618 2.659 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H](C)C2)c1 1300333052 TZRXIEGUTYQJEV-NFBKMPQASA-N 491.640 2.798 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300488610 FOMKUZCPAIMMII-KRWDZBQOSA-N 451.474 2.786 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(=O)NCC)CCC1 1300597293 BSPCMLSTXBSZDH-UHFFFAOYSA-N 456.978 2.627 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)CC1 1300707216 BPHHPGQRWCJHEA-UHFFFAOYSA-N 459.579 2.649 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1300718919 IMESNBLMVLCPPN-PGRDOPGGSA-N 453.587 2.981 30 10 JFEE C=C(Br)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861419 IKVNCRNSFAHFMO-OAQYLSRUSA-N 489.374 2.762 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C 1301481508 MGFQJGZJLSQYBV-ZDUSSCGKSA-N 458.975 2.782 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1301483969 YULGYWKLQXZKAC-IAGOWNOFSA-N 491.434 2.991 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS[C@@H](CC)C1 1301496525 BWYSKQLRDDYRKN-KRWDZBQOSA-N 481.626 2.870 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1301496865 JDFBMMAAXFVVAJ-UHFFFAOYSA-N 458.526 2.626 30 10 JFEE CCC(O)(CC)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1305852508 AARIDFMOCSFRJX-UHFFFAOYSA-N 450.522 2.624 30 10 JFEE N#Cc1ccc(CN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C2CC2)cc1 1310157682 DJDGZRBWULLOOB-UHFFFAOYSA-N 458.515 2.915 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)n1 1310781634 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C#C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1450838790 CIFMTTYXFWRSFH-QRQLOZEOSA-N 453.347 2.608 30 10 JFEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 1459931639 SNAPSBQPEZYTDD-GOSISDBHSA-N 459.524 2.877 30 10 JFEE C#C[C@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C(C)(C)C 1470054205 YQPCNPVSAIUTCL-WBVHZDCISA-N 456.406 2.949 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1492720072 DTLSYKFUKZVAHY-UHFFFAOYSA-N 455.526 2.832 30 10 JFEE Cc1noc(C)c1[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1492997113 HBLUEDQKOXZQSF-HNNXBMFYSA-N 454.556 2.706 30 10 JFEE C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)N1CCC[C@@H](C)C1 1493689444 HRUUQDRSWXRVRY-HLLBOEOZSA-N 462.396 2.885 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCO[C@H](C)C2)cc1OC 1504184017 DONSIJWQDUZHJK-HOYKHHGWSA-N 472.565 2.905 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1507632559 NFQGZWPDYJHGON-PKOBYXMFSA-N 480.993 2.834 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1507634338 JVEFKNLHQQIPLW-INIZCTEOSA-N 490.680 2.754 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507637402 KCKNPLRBNGGLNL-QZTJIDSGSA-N 463.629 2.544 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCN(C(C)=O)CC1 1507643669 XZNOBRBIJCZEID-NRFANRHFSA-N 497.043 2.925 30 10 JFEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507698520 OAMKDULOPDTQNS-SFHVURJKSA-N 464.549 2.956 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507714884 ZBDRMTUPIVMMBL-VNTMZGSJSA-N 459.591 2.719 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2c(C)nn(C)c2C)CC1 1507736084 LHTJTEKGTISHMR-LJQANCHMSA-N 493.587 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nccs2)CC1 1507739851 GFZIYCJINOWUGE-UHFFFAOYSA-N 489.605 2.784 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1507750736 CZDVAZADHHCPRM-SXLOBPIMSA-N 460.625 2.513 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NC)CC1 1507786508 ATTFHCZSEAYQRK-UHFFFAOYSA-N 455.307 2.517 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(C)(C)CN1CCOCC1 1507789393 CMRYIOHBEVYGCT-UHFFFAOYSA-N 480.455 2.843 30 10 JFEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507789593 FKIZARQPSZVXQL-LJQANCHMSA-N 474.403 2.800 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507795286 KMLDTSPRLQHNBP-LAUBAEHRSA-N 477.606 2.974 30 10 JFEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507927355 QXWXQPYLNTXXHX-UHFFFAOYSA-N 469.546 2.784 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1507959569 QYSCEFCOBZTUJF-KRWDZBQOSA-N 454.358 2.796 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508075506 XDUOLYXRNWYZDA-KXBFYZLASA-N 479.412 2.711 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1508111763 IMXSTTFZIJUZCW-XUZZJYLKSA-N 463.630 2.872 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1508134337 RPHCNBFHCOBDNB-HXUWFJFHSA-N 480.034 2.500 30 10 JFEE CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508449763 CKKQKZCFRJVFLB-UXHICEINSA-N 498.653 2.630 30 10 JFEE C=CCN(CC1CCCCC1)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1521557173 UWNCCLQZLUNWGE-UHFFFAOYSA-N 450.601 2.854 30 10 JFEE COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc2c(c1)CCO2 1524188368 FVFAUTOAIXDSJN-HRAATJIYSA-N 453.882 2.530 30 10 JFEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)c1ccc(F)cc1 1528462864 RECCJFMRAUEFDH-HXUWFJFHSA-N 459.499 2.934 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(N2CCOCC2)n1 1539037811 ILHCPRBKUSWXKT-SBHAEUEKSA-N 495.628 2.787 30 10 JFEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1539066265 SJJCBZCUDQPFRZ-RBUKOAKNSA-N 453.522 2.572 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1539102115 TVYALQPNEJVYAD-UHFFFAOYSA-N 497.543 2.657 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539119527 KSMPRZUIJQSELK-IBGZPJMESA-N 479.647 2.819 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539204667 BCIWIUUZWYTQNP-MJGOQNOKSA-N 493.580 2.515 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1539219946 GEURQDWXVVXLIM-MOPGFXCFSA-N 497.543 2.803 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539230232 DYZAXXPQKKSDCR-DOIPELPJSA-N 478.659 2.783 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1539232452 CTBCODVOZLJECT-LJQANCHMSA-N 470.618 2.916 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(F)ccc1F 1539238004 PQCQAGOIDKIUBE-UHFFFAOYSA-N 468.533 2.946 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)cc1 1539409191 QXXDJEVBHMJQHJ-UHFFFAOYSA-N 452.584 2.681 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)NC)CC1 1539500674 ZNFMPWSPZNEGFQ-INIZCTEOSA-N 458.657 2.959 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](OC)C1 1539511570 YVTKQANVWQSPFE-FXAWDEMLSA-N 466.611 2.903 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCCC1 1539557041 KNTRGWUTIDQBLR-NFBKMPQASA-N 493.674 2.590 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539596962 RQTKVLGKYYOKMW-KRWDZBQOSA-N 458.364 2.674 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC(C(N)=O)CC1 1539640191 FTSNTRIJUVQXEA-GCJKJVERSA-N 455.559 2.549 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1540136014 FLLQZULFPHSZSL-UYAOXDASSA-N 461.607 2.996 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1)C(C)C 1540147436 LMWXHMJRQWQLBK-OALUTQOASA-N 484.567 2.980 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1540147555 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C#CCN(CC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C(=O)OC(C)(C)C 1633304232 POSFYVMHOKYXRI-QZTJIDSGSA-N 467.488 2.920 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc1 1633767443 VXRQMSMOHLORKI-JOCHJYFZSA-N 451.589 2.657 30 10 JFEE C[C@H](CCc1ccc(Br)cc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1650730796 BPUAOMRIKUCCLY-CQSZACIVSA-N 450.358 2.737 30 10 JFEE C#CCCN(CCOC)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1668744166 AABWHHOUCGEWMH-UHFFFAOYSA-N 451.545 2.943 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)N[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)C1 1669659856 LRZVCSXFXSEAHM-NFBKMPQASA-N 455.580 2.585 30 10 JFEE COCCN(CCOc1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1686081923 DZUPWEZYSCCDNG-QFIPXVFZSA-N 454.502 2.930 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1689860500 BBMHOYOSHJETEH-XUZZJYLKSA-N 461.614 2.889 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1689910746 PCAXJPXPVFVTCZ-UHFFFAOYSA-N 456.978 2.580 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1689926404 OXABTCFYKPANQN-SFHVURJKSA-N 484.626 2.909 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(N(C)C(C)=O)CC1 1689935548 JXQSPXKJHPCKOS-UHFFFAOYSA-N 477.657 2.503 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689985777 BDEBCSMHWNQRIN-NJDAHSKKSA-N 484.670 2.723 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1689987893 DYHGXQIQSSJDSA-KRWDZBQOSA-N 488.664 2.914 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1scnc1C 1690064020 XIYJUEJFSQFIIG-UHFFFAOYSA-N 458.613 2.663 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)cc2C)CC1 1690113918 XXESDYSUISCTJZ-VWLOTQADSA-N 455.578 2.764 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)CC1 1690117844 XUKRZFWXPIGYRX-UHFFFAOYSA-N 453.465 2.644 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)N2CCCCC2)CC1 1690135223 SDFHUJPLXZNRDX-NRFANRHFSA-N 499.660 2.508 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690230354 ZXTPVAUZNPXLPX-HXUWFJFHSA-N 481.416 2.801 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1690311215 FSYJWRLRJJHKAE-ZLNRFVROSA-N 488.677 2.739 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1690560240 RCOXJWJEDKEKJS-SFHVURJKSA-N 487.536 2.884 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690637748 KAKWZFIWQMOGIG-UHFFFAOYSA-N 459.392 2.638 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(C)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1690676675 AGPMUSDGDUYIMP-VWLOTQADSA-N 469.586 2.501 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1690677183 QHWOGNNQCANOPZ-UHFFFAOYSA-N 484.047 2.539 30 10 JFEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)N(C)C(=O)OC(C)(C)C 1692719855 CBOUZADBPYXTMC-NSYGIPOTSA-N 497.600 2.686 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1696904564 HRHQUBQLSUIQFO-KRWDZBQOSA-N 483.580 2.881 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(CN2CCOCC2)CCCCC1 1705475366 RFRCDLOUEWGVLT-FQEVSTJZSA-N 465.602 2.666 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1705494897 HXJCXVXJYDYGGQ-WOCWXWTJSA-N 478.018 2.841 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705508631 QLHIEHSFLNXHQL-UHFFFAOYSA-N 489.584 2.553 30 10 JFEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705520730 DOEGHSZODIBSNP-HXUWFJFHSA-N 464.570 2.696 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705561143 NPUXRDRXPFGYES-QGZVFWFLSA-N 478.521 2.990 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1705562357 AQTLCEHFBCDOAZ-KRWDZBQOSA-N 481.416 2.679 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1705562411 BNWVZPBWLUIGKE-KRWDZBQOSA-N 462.000 2.924 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1705632642 XELHWLHUZXELKH-IAGOWNOFSA-N 461.492 2.974 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1705917038 QHNTYQPFRMAMBK-UXHICEINSA-N 481.519 2.998 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1705930224 IRTFGQYISYZOHG-UHFFFAOYSA-N 491.017 2.592 30 10 JFEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1706147636 CIEYRRACLSPPEL-UHFFFAOYSA-N 459.545 2.756 30 10 JFEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1706753398 BZRUMYIKHBALBW-VQIMIIECSA-N 467.574 2.916 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)C1 1706932358 HQFYDYLJGRVHRB-FGZHOGPDSA-N 475.018 2.860 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1722283272 HQWUEYZJGNDJEW-RBBKRZOGSA-N 457.582 2.948 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCOCC1 1722290847 BODFJAYFLIDBGB-MRXNPFEDSA-N 452.584 2.562 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H](C(C)C)N2CCOCC2)c1 1722306106 XQOJUEWBXHLVEQ-QFIPXVFZSA-N 452.603 2.815 30 10 JFEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722325182 GMONUVDEDLWZHZ-UHFFFAOYSA-N 480.432 2.981 30 10 JFEE C#CCCCn1c(N2CCN(Cc3csc(CC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1722341012 PJHAOZPCZBYTMG-HSZRJFAPSA-N 458.632 2.685 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722360552 ANUFSYJDHLIBQV-FQEVSTJZSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722371552 KBWNYLONOWCSPZ-NRFANRHFSA-N 456.612 2.889 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1722431864 SXUYXPYVKZBFBL-NLFFAJNJSA-N 471.577 2.681 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1722432787 DZDRNPLBZUPCTL-UHFFFAOYSA-N 496.413 2.541 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCOC)CC1 1722450528 LOQMOABWJAXTQB-UHFFFAOYSA-N 466.369 2.776 30 10 JFEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722457180 SHLFBFMEEWJTPZ-FQEVSTJZSA-N 466.655 2.881 30 10 JFEE 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1722624411 CMYCUILCTDYYTO-JOCHJYFZSA-N 457.604 2.961 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1722665905 OUCIAMCHQNDIPT-YPAWHYETSA-N 471.650 2.774 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722694814 JQNVUZIYFXJUSD-GOSISDBHSA-N 498.628 2.643 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1722700724 RXNHWXKARNXWLM-SFHVURJKSA-N 483.617 2.696 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccs2)CC1 1722727770 QUABDHHGRYRDSN-LJQANCHMSA-N 465.645 2.504 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CC1 1722770049 GVSPSMUUOZBVOX-UHFFFAOYSA-N 452.469 2.651 30 10 JFEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)N1CCCC1 1723109196 CXUROVPPOVVIOL-RXVVDRJESA-N 458.632 2.806 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCCC1 1727222217 APGIRGFOWWCEQG-UHFFFAOYSA-N 450.591 2.980 30 10 JFEE 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COC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(=O)O)cc1 2327484800 AGJBAYXSFIBRGH-UHFFFAOYSA-N 462.434 2.981 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc(Br)c1 2330749887 YKUZISCUOHDCAK-UHFFFAOYSA-N 494.400 2.746 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](CO)CNc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2339600186 LQVKFVYEUJTTNK-CYBMUJFWSA-N 461.290 2.697 30 10 JFEE C[C@H]1CO[C@@H](COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CN1C(=O)OC(C)(C)C 2345689996 IJESFJSHIYNGCP-LSDHHAIUSA-N 452.332 2.923 30 10 JFEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361641149 LZRLUDRFCITTBY-KRWDZBQOSA-N 478.420 2.568 30 10 JFEE Cc1cc(CN=c2nc(CN(C)C(=O)OC(C)(C)C)[nH][nH]2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677347 LHXRGFAERILAHX-UHFFFAOYSA-N 457.384 2.813 30 10 JFEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)CCC(=O)OCCC)cc1 13997241 AGZDKCDZHAUPKV-UHFFFAOYSA-N 453.586 2.596 30 10 JFEE COc1ccc(/C=N/Nc2nnc(SCC(=O)c3ccc(Br)cc3)n2N)cc1O 21316614 CUMMBSNGYSFKEE-ZVBGSRNCSA-N 477.344 2.890 30 10 JFEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c2ccccc21 21728050 VSRFUSCLJRQQQB-UHFFFAOYSA-N 498.539 2.589 30 10 JFEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N/N=C/c3ccc([N+](=O)[O-])cc3)n1)CC2 58993609 AVGRGOGVXUVSAB-FOKLQQMPSA-N 497.537 2.853 30 10 JFEE COc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)cc1O 59814932 BXKUXIIAYNGWOW-UFFVCSGVSA-N 455.500 2.654 30 10 JFEE CCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1 59890324 HVRAWKVUIDIQHD-HYARGMPZSA-N 465.605 2.908 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 70929427 NTYKXAYOLTTWKT-UHFFFAOYSA-N 455.584 2.630 30 10 JFEE C=CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1cccs1 95951070 QBYQKJOGKDQSPC-NHFXJNLRSA-N 491.594 2.763 30 10 JFEE C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)nnc1-c1cccc(Cl)c1 253578783 YTWAEVIMDXSLDK-UHFFFAOYSA-N 477.034 2.545 30 10 JFEE CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2)c(=O)n1Cc1cc(Cl)cc2c1OCOC2 254490467 SWBLLFWVWNMDPC-UHFFFAOYSA-N 482.945 2.522 30 10 JFEE 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486.638 2.587 30 10 JFEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286395102 YZKBDHAOFQJGQA-FQEVSTJZSA-N 468.627 2.826 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(OC)cc1 1286414546 ZCMHHIUUXPWMCP-UHFFFAOYSA-N 455.566 2.776 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN(C(C)=O)C1 1286419031 VSBKPHBFUKXREZ-KRWDZBQOSA-N 457.376 2.757 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccnc2)c(F)c1 1286421646 ZCCBDABPVDKREJ-SFHVURJKSA-N 496.568 2.726 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1286424134 ZPVVCBTXLAULHI-DHLKQENFSA-N 453.562 2.835 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286459462 MCUSICOPHCEDFA-FHAGJXEFSA-N 491.633 2.662 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccccc2)CC1 1286489728 AADKEZQIOZARLL-AREMUKBSSA-N 458.566 2.522 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1286495740 DDCFHCSKLBFDPE-UHFFFAOYSA-N 496.666 2.633 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1286521553 AEOWFVUNSIYNPC-FOIQADDNSA-N 483.516 2.665 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286623284 FHOSDTLMACKRIE-KSFYIVLOSA-N 489.020 2.704 30 10 JFEE C=C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1286647924 FKTAWCIHEYOHCN-UHFFFAOYSA-N 452.584 2.719 30 10 JFEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286696820 RPXJOCHBHOQVRG-UHFFFAOYSA-N 461.588 2.591 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CCN1CCN(C(C)=O)CC1 1286744770 MCLAVRNIUXSRIM-UHFFFAOYSA-N 477.588 2.760 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCC[C@H](C)C1 1286778869 FMAHIZBINXQDBK-WMZOPIPTSA-N 473.647 2.864 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCCCC2)CC1 1286792113 MNQPLPXBRGIBCZ-UHFFFAOYSA-N 452.603 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)C)C1 1286824517 DDEQJMFCPNYGHM-OALUTQOASA-N 497.662 2.812 30 10 JFEE CC(C)SCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1288430472 FYTQRYUXDSUWNG-UHFFFAOYSA-N 471.606 2.879 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1299278236 GCQOSLQWQYREOL-CLOONOSVSA-N 464.618 2.789 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCN(CCN(C)C)CC1 1300276760 QSKSKEQUCVVZER-MRXNPFEDSA-N 462.440 2.767 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300489886 VATWRGXCPFBLGJ-MOPGFXCFSA-N 450.992 2.896 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300494963 AONPTQYNMGQHHN-PCCBWWKXSA-N 476.574 2.673 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300497790 DPJDCWKWANKORU-QHCPKHFHSA-N 487.645 2.757 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300499567 VCPRTXNQDKCVEF-QHCPKHFHSA-N 463.607 2.914 30 10 JFEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300504978 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1689986006 GVIAYQWMUOOCFY-FQEVSTJZSA-N 479.606 2.953 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1689993381 BUVOYQIWPUDAMB-DOTOQJQBSA-N 469.583 2.696 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCOC[C@H]1OC 1690039787 SDXVNABPTQCBAZ-NFBKMPQASA-N 452.555 2.867 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccnc2OCC(F)(F)F)CC1 1690129460 XVRNYFSYMYHATL-UHFFFAOYSA-N 491.543 2.773 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690247821 GVPIFCNJXYJGPV-URXFXBBRSA-N 458.651 2.592 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690328257 ICQJUYSKBVHXHF-HZPDHXFCSA-N 491.058 2.724 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690334351 LYWVZCBFVBUREU-SFHVURJKSA-N 495.049 2.689 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCCC2)CC1 1690364528 SHMHPJQKDGOXQD-IBGZPJMESA-N 482.720 2.796 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1690585999 CNGCBMNPLMPJDC-UHFFFAOYSA-N 459.616 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690717539 JFGYAVJPZRTLIT-NRFANRHFSA-N 486.598 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1690724206 KBXKIEBQJDYCAK-PMACEKPBSA-N 460.600 2.775 30 10 JFEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)C1 1690904029 DHBOSTNLUAHQCI-QFIPXVFZSA-N 463.586 2.714 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1695063735 DCPUMTNDHQCLCK-UNMCSNQZSA-N 479.629 2.923 30 10 JFEE CCNC(=O)c1cccc(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@H](C)C#N)c1 1695931462 HWJRHHCQAAODGY-QGZVFWFLSA-N 494.625 2.632 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CC(C)C)NC(=O)OCC 1705489220 LMXHKETWJLZEIU-MSOLQXFVSA-N 489.646 2.857 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705531047 WSXKMMNNGCISEI-GOSISDBHSA-N 477.573 2.685 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705561432 QGVGTZLGBWLOHB-FUHWJXTLSA-N 480.537 2.600 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1705587812 JZCIADVJNZOHKT-IBGZPJMESA-N 456.591 2.526 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1705603609 ROSWOEHHHDHTIV-FGZHOGPDSA-N 455.647 2.895 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1csc([C@H](C)OC)n1 1705624649 JRBGLESQLYMMHP-HNNXBMFYSA-N 455.540 2.972 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1705635425 YNUJEAOMRXFNQS-JYFHCDHNSA-N 484.620 2.516 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1705639783 WGUGGKLZKGGTEN-LJQANCHMSA-N 478.519 2.506 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1705647518 FYWPMLXXWUWGDO-RQNQAMLKSA-N 470.662 2.648 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705786232 JITKEQQABLMLQX-CYBMUJFWSA-N 475.541 2.726 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(C)C)CC1 1705896741 WTJQYLUXTUOUMT-UHFFFAOYSA-N 467.437 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1705931914 FSNXVWHMYUYRAY-RBBKRZOGSA-N 482.610 2.940 30 10 JFEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1705943907 NQKGEUJVRRFKAG-IBGZPJMESA-N 481.626 2.870 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705947895 BFLQWWCNNSSNSC-UHFFFAOYSA-N 483.690 2.731 30 10 JFEE CC(C)(C)c1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)s1 1706102243 DYJKSAKSCOSGNR-MRXNPFEDSA-N 471.612 2.637 30 10 JFEE Cc1ccc(C(=O)NCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)cc1F 1707316507 AFTYIAHMAIYKBE-MRXNPFEDSA-N 483.573 2.886 30 10 JFEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)C1 1711347772 GIVAZODBEUZPDF-HOYKHHGWSA-N 480.594 2.660 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722278695 MYYBVMKURGIUNT-MSOLQXFVSA-N 452.584 2.541 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2C[C@H]2C)c1 1722307445 OCJSHTZFDSDWHG-SJLPKXTDSA-N 462.579 2.982 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722349685 XJCURUKDLOAWDO-KRWDZBQOSA-N 462.558 2.532 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC[C@@H]1CC 1722356154 LBMYJIHUEFUMEA-DEOSSOPVSA-N 463.674 2.977 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722364454 ZZKLQEGNAVGDPZ-NRFANRHFSA-N 455.628 2.836 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCCCC1 1722375971 IBHCOEGDKBNJCV-HXUWFJFHSA-N 481.670 2.741 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1722398089 XEOXMUODAYCHDS-JOCHJYFZSA-N 465.623 2.682 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1722399284 MKXRIOVSQZBGER-HSZRJFAPSA-N 468.605 2.996 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722401531 BGUKDPMIQUOHTO-DNVJHFABSA-N 482.673 2.602 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1722427953 VKCDVLYZXFJEDF-RXVVDRJESA-N 485.633 2.871 30 10 JFEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1722524352 DQHVVQLSJDTUGL-SFHVURJKSA-N 452.563 2.643 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1722527084 YLADRCXYKIZLQO-PMERELPUSA-N 450.634 2.552 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722537398 NRNXIDWWKGZXPM-GOSISDBHSA-N 497.662 2.609 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1722551927 IHXAVPFGXKNPGW-ULQDDVLXSA-N 471.986 2.579 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1722676474 BBKUKEQTGJSEPG-IBGZPJMESA-N 461.632 2.883 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN2CCCO)C1 1722713334 DNFMDECPHQAZKY-MSOLQXFVSA-N 479.423 2.664 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740674165 WRDWWNLFPNNPQS-LJQANCHMSA-N 482.610 2.704 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(N(C)C)CCC2)CC1 1740708078 ZXBCPVBEQWPHHY-UHFFFAOYSA-N 464.614 2.616 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740718669 TZMGHPZIKGCASW-FSSWDIPSSA-N 488.702 2.703 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccco2)C1 1740721495 LBCYQDGVKYYGOV-KRWDZBQOSA-N 457.581 2.807 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740748392 FJCKJOBKYOGATC-HZPDHXFCSA-N 465.304 2.888 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1740761009 LTSSZHXTJLYKOU-HKBOAZHASA-N 479.691 2.720 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1740822734 OJZRUADMNYLVRS-GOSISDBHSA-N 495.024 2.788 30 10 JFEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1740856161 QVYXPEXTMUDUTP-DEOSSOPVSA-N 490.656 2.710 30 10 JFEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740878759 UZMBVUKJJQIPNL-PGRDOPGGSA-N 471.675 2.979 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740880392 GYVMWGMXUQVMMD-JOCHJYFZSA-N 496.612 2.568 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1740932090 GXPKZWNQODPEHD-XZOQPEGZSA-N 485.654 2.650 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCO[C@H]1C 1740939722 FUTLRIYGJLJACP-MGPUTAFESA-N 451.365 2.886 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccccc2F)CC1 1740953817 RURFGSXVQYNFCH-UHFFFAOYSA-N 488.365 2.804 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@@H](C)C1 1740986631 CJPUMKJZSTYYLJ-QGZVFWFLSA-N 494.687 2.774 30 10 JFEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740998708 QEVINOABVZGWCA-MRXNPFEDSA-N 493.563 2.913 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1741801870 DGLZPTRMKXKIPI-RYUDHWBXSA-N 458.407 2.791 30 10 JFEE CCOCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1746997665 GBUYJVLEZKUYHB-UXHICEINSA-N 452.559 2.741 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CC2(CCOCC2)C1 1748789198 ISTDKLHBNVRPMP-LJQANCHMSA-N 459.591 2.863 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748811043 AMMWAFSKLQYDBN-INIZCTEOSA-N 495.527 2.990 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748812047 PASKYMFZMBUOIX-HSALFYBXSA-N 472.659 2.656 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1748816004 VNXJGCZRPDYSJF-IRLDBZIGSA-N 470.595 2.760 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748820738 IFZTUDMAEVSXLK-RBBKRZOGSA-N 497.621 2.688 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749022070 DLTFMJREPYDQIM-QGZVFWFLSA-N 477.656 2.647 30 10 JFEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)COC)CC1 1749085594 BYKXVUIKQFTHMT-UHFFFAOYSA-N 499.207 2.911 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1749214057 UASHJHIPIVWHNF-APWZRJJASA-N 463.966 2.615 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1749330971 SWMYUTSDSRJYTQ-QFIPXVFZSA-N 452.621 2.546 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749354171 KMSUGQLBBQCTKM-WOJBJXKFSA-N 480.613 2.784 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749444443 AURISMWQWHZWQU-MRXNPFEDSA-N 486.436 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1749738766 WZWRLQMEZGFKNC-KRWDZBQOSA-N 493.033 2.735 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 1749746021 PIIVZDPKWWFGDQ-UHFFFAOYSA-N 465.645 2.619 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1750077247 FHKKBLXMHJWKFF-JPYJTQIMSA-N 458.607 2.812 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1750792603 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JFEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690503716 LYGAKBGQXCJZOD-HOYKHHGWSA-N 458.559 2.939 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1690510679 BQWABKIFDWXPRV-UHFFFAOYSA-N 463.586 2.582 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1690664327 PBZLYDBWCMYYJG-GOSISDBHSA-N 478.601 2.638 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1690675182 RDCUBDOWIYMBCL-UHFFFAOYSA-N 462.602 2.831 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1690676019 MZWMDJMJRLTUHU-UHFFFAOYSA-N 465.602 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1690717989 XQCJUFOHXZUWLO-AEFFLSMTSA-N 476.599 2.951 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1690731832 RFJBXPYOAANACX-HXUWFJFHSA-N 476.574 2.969 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Nc2cccnn2)CC1 1690749996 WJEUUGWEDKWGIW-UHFFFAOYSA-N 453.620 2.930 30 10 JFEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)COCC)CC1 1695943949 IBTKELGNXHWUJE-UHFFFAOYSA-N 469.590 2.643 30 10 JFEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1696954272 FYSLQZVFDAMXAT-UHFFFAOYSA-N 499.501 2.700 30 10 JFEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1697664505 CBTFGGHWRQOFEP-NRFANRHFSA-N 452.559 2.747 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1705501914 AGBHYWIABRKBBG-KRWDZBQOSA-N 473.624 2.972 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)N2CCOCC2)c1 1705508156 QREAKCORXIHWTB-DHIUTWEWSA-N 480.613 2.543 30 10 JFEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705512599 IMRPNIUMQQCHAR-YKSBVNFPSA-N 459.598 2.609 30 10 JFEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705540101 NCTUJRHJMVGFID-VAMGGRTRSA-N 465.664 2.718 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2cc(C)nn2C)CC1 1705634001 FNANUUVHTKGDDC-UHFFFAOYSA-N 484.402 2.562 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(OCCC)nc2)CC1 1705634041 HJUSOEVQDOWCJY-UHFFFAOYSA-N 461.526 2.841 30 10 JFEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705825859 FUMUHRICSWEIQL-YJBOKZPZSA-N 478.479 2.670 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO)C1CC1 1705854684 YPADUBXMCROCFL-LEWJYISDSA-N 490.649 2.588 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705893125 KKIJFALPKLGPLZ-IBGZPJMESA-N 456.572 2.532 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705904952 DKMXKEUXSGJEEO-SFHVURJKSA-N 474.993 2.928 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705913875 ZZPMOJKRIHGHOX-OAQYLSRUSA-N 468.602 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSC(C)(C)C1 1705934855 YYGKWTYYIYKCCS-UHFFFAOYSA-N 474.612 2.527 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1705935388 PNDKFKWYPDLISE-SFHVURJKSA-N 453.568 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1705936980 DUJVRCYJPFQUKZ-JOCHJYFZSA-N 467.595 2.833 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1705937781 FASDWMWKRLJXIK-NRFANRHFSA-N 485.610 2.582 30 10 JFEE Cc1csc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CCO2)n1 1707722378 GPGVMQBEBRIEIJ-SFHVURJKSA-N 451.556 2.638 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1707800040 ICVLJFQKYWTNPG-HXUWFJFHSA-N 467.599 2.619 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1708339057 BETNULATDRUSIR-UUOWRZLLSA-N 488.658 2.864 30 10 JFEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1)C(=O)OC(C)(C)C 1710147957 ACFAIFDDEIJFRG-UHFFFAOYSA-N 477.573 2.994 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1Br 1712451830 HJMZXOCGVAGLNQ-UHFFFAOYSA-N 461.364 2.691 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722325704 NJAVEKLWMCTVOD-FQEVSTJZSA-N 496.612 2.967 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1722361758 OYKUNAMSSCRZRG-KRWDZBQOSA-N 485.635 2.842 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722361974 LGYRBQAMVJWIMW-MRXNPFEDSA-N 486.516 2.932 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722364826 MOXKJOHFDWFXSQ-FXAWDEMLSA-N 474.558 2.531 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1722365253 DHCFZEWPJMYXOO-IEBWSBKVSA-N 477.656 2.621 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnnn1CC1CC1 1722392080 GARRASYQCYYKRP-UHFFFAOYSA-N 495.385 2.624 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1OCCC1(C)C 1722394413 SZGDHUDTSVELNM-NRFANRHFSA-N 458.566 2.953 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nccc(C(F)(F)F)n2)CC1 1722439057 NDOGGNWBEVGCQC-UHFFFAOYSA-N 491.468 2.954 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722446300 RFLSXQXEQYUPGG-OAQYLSRUSA-N 463.630 2.735 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722529884 GNOIVEGAVDJNJE-QFIPXVFZSA-N 468.558 2.866 30 10 JFEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1722532104 BUMMUCCQLJUVKO-UHFFFAOYSA-N 493.612 2.572 30 10 JFEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722618930 PGVGBFWURGPYMH-INIZCTEOSA-N 461.492 2.988 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1722625136 LQTFORIJABJALU-UHFFFAOYSA-N 457.531 2.634 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@H](SC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722732426 ZAZBRRXOTRDOSZ-GHTZIAJQSA-N 472.677 2.641 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2cccn2)CC1 1722752170 XORSZAWWVCPWMB-UHFFFAOYSA-N 485.570 2.567 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1724000885 AWSDVHZFULFJQY-FPOVZHCZSA-N 485.608 2.560 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1727927375 DXOOKUUYUHCTHR-MHPIHPPYSA-N 466.586 2.753 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccnc(C(F)(F)F)c2)c1 1740561324 BDZWMXHDCADLLF-UHFFFAOYSA-N 499.497 2.935 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740620606 QWIITQVBCUQZTO-ASPBEGMCSA-N 499.662 2.667 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1740626322 WTNMEIDJZXRIOF-GOSISDBHSA-N 492.443 2.843 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1cccc(C)n1 1740637321 YACKIGXVOKQKRR-UHFFFAOYSA-N 461.595 2.647 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cn2ccc(C)cc2n1 1740640615 RGBDHIPMBNNZAK-OAQYLSRUSA-N 489.580 2.664 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1740646628 GLGUWOUQKGLMJP-YWEHKCAJSA-N 490.652 2.604 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1CC 1740650931 TUMAIKYDFOLVOQ-UHFFFAOYSA-N 468.359 2.839 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCO[C@H]1C(=C)C 1740655444 BVTWRVAEIGJNPW-PKTZIBPZSA-N 459.598 2.896 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCCOC 1740730989 MQUDUCNOSMUMBR-PXDATVDWSA-N 486.638 2.944 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1740731744 ZRTZHVNHWQWUAJ-UZUQRXQVSA-N 454.579 2.562 30 10 JFEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740745567 YOOUYPNUHOALFH-MAUKXSAKSA-N 467.456 2.764 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1740763168 ZCBYFHNQUPUPGV-ZCNNSNEGSA-N 477.606 2.794 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(C)=O)CC1 1740788070 NUMVBMPEQKNLHO-UHFFFAOYSA-N 478.391 2.977 30 10 JFEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCS(C)(=O)=O)CC1 1740837419 MJYVGGTUODRNIX-UHFFFAOYSA-N 470.599 2.512 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740882241 FPBYTIQRAKGWEK-LJQANCHMSA-N 472.977 2.958 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1740961995 ORQBIDVZGJEQHW-UXHICEINSA-N 483.617 2.696 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740966584 UIKOXAQLQLRMQG-IFMALSPDSA-N 498.603 2.600 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1740968601 LKOHXRUWSWVSQY-UHFFFAOYSA-N 482.629 2.578 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 1740970562 NVHHPFOMZQOYCT-AUSIDOKSSA-N 459.978 2.857 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740990825 GESATCHFIAAVKN-WIYYLYMNSA-N 477.606 2.975 30 10 JFEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740998432 MEOSVGLPQWAQGF-UHFFFAOYSA-N 467.599 2.921 30 10 JFEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CCO1 1741103611 BYXIGTNXULEEPW-DNVJHFABSA-N 480.613 2.999 30 10 JFEE C[C@H]1CCCN(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1743064616 FJKYQYIMGRGBCW-SBUREZEXSA-N 454.554 2.878 30 10 JFEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1743382263 FVMKCVOVBCCOGS-PTAUBWNISA-N 482.766 2.630 30 10 JFEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1747623122 FAKZWNURYRDHNX-FQEVSTJZSA-N 456.616 2.705 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2C[C@H](C)O[C@@H](C)C2)c1 1748694970 WEWDUWNFBGTASN-OALUTQOASA-N 478.597 2.660 30 10 JFEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748780446 YBFCTGHXABSRTA-QFBILLFUSA-N 492.443 2.981 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1748808205 BFSCOHYQJKZRAT-JLAWEPINSA-N 460.575 2.916 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1748809401 MMXLKCJXGBCMAN-KRWDZBQOSA-N 460.625 2.866 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NC 1748944676 BJINYJHEKKGRME-UHFFFAOYSA-N 466.517 2.557 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1749136376 MJDPGZYJFTYXOY-BEFAXECRSA-N 481.523 2.770 30 10 JFEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 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2.528 30 10 JFEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690220108 RRLDHOONNZGDIR-INIZCTEOSA-N 453.429 2.879 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1690227138 XLLIRGFBXYVRKN-UHFFFAOYSA-N 471.319 2.879 30 10 JFEE C=C(Br)Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1690234327 AHCIFFVBHLYHOC-NRFANRHFSA-N 492.422 2.572 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1690266813 KGHGFWISZWPDSN-LJQANCHMSA-N 484.022 2.746 30 10 JFEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690277478 XYFMKKIUIMQRPF-AWEZNQCLSA-N 472.384 2.941 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690287611 KEDGREWXYFDLNS-QZTJIDSGSA-N 499.620 2.501 30 10 JFEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1690325545 ALZWNXVMFJNERR-LJQANCHMSA-N 485.635 2.996 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1690394747 KWUYJGAQGRRCJU-HXUWFJFHSA-N 466.634 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C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722460820 JKTGRBDTSKHEKU-SFHVURJKSA-N 461.582 2.815 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1722469106 UJSMCGNWXFCYEO-JWQCQUIFSA-N 459.635 2.812 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722537156 LHKQOBXINYYACW-ZCNNSNEGSA-N 488.633 2.700 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ncc(C)s2)CC1 1722537787 QUCLOOYUJJAQJU-GOSISDBHSA-N 465.645 2.922 30 10 JFEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722607705 HJRQKJAMEPBQCE-QGZVFWFLSA-N 451.579 2.539 30 10 JFEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722616439 UDMNBOQHCXSHME-UHFFFAOYSA-N 467.524 2.934 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1722658209 GTJMRAYWLIDDCK-QHCPKHFHSA-N 452.603 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1722724904 IYCDMXGZXQVBEY-QGZVFWFLSA-N 458.588 2.543 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722743570 DTEJHTAZGXKWLL-RCCFBDPRSA-N 471.693 2.586 30 10 JFEE Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC[S@@](=O)C(C)(C)C)CCO2)o1 1726242405 BNOFBSYUZNDHLM-RTHCMUBDSA-N 469.571 2.633 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC(C)(C)C1 1726722286 GIECLWYBXSUQFZ-SFHVURJKSA-N 464.574 2.775 30 10 JFEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 1728219908 AFHKMHVNEBULIR-FQEVSTJZSA-N 466.567 2.672 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740548887 ATVXSPKPQNPCDP-HOJAQTOUSA-N 453.541 2.812 30 10 JFEE C#CCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740596626 IWQVQZOLHDHRBB-NSHGMRRFSA-N 453.591 2.639 30 10 JFEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccccc1OC)N1CCCC1 1740615870 MUILWGCHMDTTTL-WPYKKVEZSA-N 453.587 2.917 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1740620937 IILXDJHZMVIXOX-OALUTQOASA-N 453.568 2.676 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1740627285 ZQPCHQVSEQAYOC-HSZRJFAPSA-N 493.633 2.974 30 10 JFEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740745566 YOOUYPNUHOALFH-CRAIPNDOSA-N 467.456 2.764 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1 1740757534 WHXBFULEQPLZOA-BEFAXECRSA-N 466.991 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740757874 SDJCCAVFXYOUPO-URVUXULASA-N 488.658 2.738 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740784967 FICDAFLTPDOGBH-UHFFFAOYSA-N 453.572 2.742 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740818324 HCYXUPRQAWZZNP-IBGZPJMESA-N 487.004 2.513 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(I)cc2)CC1 1740825642 QKSDGDFPBCQMPY-INIZCTEOSA-N 498.390 2.990 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)C2CC2)CC1 1740840318 VQWBJHNMUJUYQE-LJQANCHMSA-N 451.637 2.840 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740879295 JLPBTUZYMZAVFO-LJQANCHMSA-N 458.632 2.784 30 10 JFEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 1740887266 FWHIWMJREKMJBN-RTBURBONSA-N 481.644 2.607 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1740922989 AYHSYBMSPSYJIE-MRXNPFEDSA-N 451.618 2.697 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1740942150 DHQHUCIRXMDDGJ-IUKKYPGJSA-N 465.595 2.529 30 10 JFEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740945510 UDTWCLFDSVIPLB-VQTJNVASSA-N 452.603 2.957 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1740967341 DJEDZDYYYMQODM-JOCHJYFZSA-N 484.626 2.766 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1740984476 CIFNOZONSPAXMQ-LEWJYISDSA-N 476.599 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1740990617 XMNGOMIKXPGZGI-UHFFFAOYSA-N 473.574 2.587 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCSCC2)C1 1741983642 CRXPEBINVLSIEQ-JOCHJYFZSA-N 474.656 2.527 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1746052134 BUANABHWGYSHHI-UHFFFAOYSA-N 464.618 2.886 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)c(F)c1 1748684580 MHMMGZVJOHMRDG-MRXNPFEDSA-N 468.558 2.605 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748798645 FBVNRCVMCIMQES-FXAWDEMLSA-N 478.018 2.784 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COc2ccccc2O1 1748802874 LTCWTRDDPBSGOV-FGTMMUONSA-N 453.543 2.958 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1748805159 PAWTYNUZVVHDRR-AKFKNWHVSA-N 498.697 2.629 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748809214 KTMGZCNYLKWXTA-IEBWSBKVSA-N 492.045 2.718 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748809744 POOMIXONEQDRAY-ICSRJNTNSA-N 491.061 2.741 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1748812012 OHRZMDYUNJATPF-HNNXBMFYSA-N 464.016 2.868 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC(C)C)nc1 1748887225 YCBWRBIPRKVZMX-UHFFFAOYSA-N 491.621 2.932 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1748945593 VIBOVUROTMCKGK-PMACEKPBSA-N 460.575 2.776 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1748979281 XGQVLGASNFADFD-APWZRJJASA-N 461.408 2.852 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1749034054 VGEKZDSRUHUDHS-LJQANCHMSA-N 485.589 2.525 30 10 JFEE COC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1749332662 DNXWHTUSPOQRDS-HSZRJFAPSA-N 475.597 2.894 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749682454 UKZGEUWZNZWRCC-AOMKIAJQSA-N 478.018 2.910 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1750075316 CYHRKTIJSMNZGR-WMZOPIPTSA-N 458.588 2.541 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN1CCCC1 1760103041 XHOHFIPAMBXYLA-IBGZPJMESA-N 472.659 2.775 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1cccc(N2CCOCC2)n1 1760124256 QNDTWOYFRLVASB-IBGZPJMESA-N 462.554 2.604 30 10 JFEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1760152562 PWPGGXHDSYGYTE-JOCHJYFZSA-N 460.582 2.624 30 10 JFEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760154687 XYVHRUIXPIKBCQ-UHFFFAOYSA-N 454.594 2.802 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760182926 KWEIDXRMHZPKLS-FXAWDEMLSA-N 464.035 2.956 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1760190384 PXBQMQYUGUVOSE-FQEVSTJZSA-N 487.988 2.926 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CCC1 1760204012 ZDIBEOFPXZEVSE-FQEVSTJZSA-N 471.602 2.866 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCCC1 1760216732 YRKVWBTVMZHPIV-UHFFFAOYSA-N 457.582 2.624 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)n1 1760253169 WTNXLNWGCQTPKL-UHFFFAOYSA-N 459.554 2.605 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760274584 QCAUEZMVKSLUAV-UHFFFAOYSA-N 484.626 2.667 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760320414 VAPUTUGEIAWQAT-WFXMLNOXSA-N 460.600 2.948 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1760412418 KVGYEAMXHPKSTF-IRXDYDNUSA-N 482.676 2.910 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760436067 GUIAPAKPVPODJB-KRWDZBQOSA-N 480.660 2.608 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1760505909 RUGJFVFQLSKIJM-KDURUIRLSA-N 497.662 2.512 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760515036 ADVXOUCJNOLKRU-SIBVEZHUSA-N 499.612 2.893 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760533034 ALIFGYAMIGVNNK-AREMUKBSSA-N 483.613 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558208 JBQVQDXBWRNQKX-QFIPXVFZSA-N 452.621 2.690 30 10 JFEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760858140 CAROFMRZBPOSFZ-HXUWFJFHSA-N 476.585 2.618 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 1761132471 AUMAIXLCJWGXRW-XUZZJYLKSA-N 493.656 2.867 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N1CCCC1 1766919480 GAZWFQNMGPKPFK-NRFANRHFSA-N 458.632 2.808 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1767388978 CGSZPVNBHARRJU-FQEVSTJZSA-N 472.615 2.684 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1csc(C)n1 1767633523 ARIMNPRCHMBFBM-GOSISDBHSA-N 454.556 2.992 30 10 JFEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CCCC2)cc1 1768722029 BVVQZXKQIKWUOS-QGZVFWFLSA-N 461.588 2.819 30 10 JFEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1769566019 AHUPCYSWTOMCFO-HSZRJFAPSA-N 455.559 2.523 30 10 JFEE C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)ON1C(=O)c2ccccc2C1=O 1772790316 ASJAVIOSYNXMSN-VIFPVBQESA-N 476.816 2.780 30 10 JFEE CCN(CC)CCNC(=O)c1ccc(NC(=O)C(=O)/C=C/c2cccc(OC)c2OC)cc1 1860727730 CPNBXHCNGCNMBD-NTCAYCPXSA-N 453.539 2.996 30 10 JFEE C=CCNC(=O)[C@H](CCC)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861512686 GGDRXABMHRNFEH-QFIPXVFZSA-N 463.534 2.735 30 10 JFEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862415513 ZCJNZASZIZXYMV-OAQYLSRUSA-N 486.471 2.964 30 10 JFEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862574180 HDBKLKLLBLUVIY-QFIPXVFZSA-N 468.506 2.817 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 1862735312 IAKIUBNRCFRKRC-NRFANRHFSA-N 467.478 2.601 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864892458 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C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN1CCCS1(=O)=O 1286280845 FSUMEHYRKOBKES-CYBMUJFWSA-N 486.823 2.854 30 10 JFEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286315924 HIYHUYRDVPOLFF-SJLPKXTDSA-N 461.360 2.871 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286336876 PXOSMVGZGLFEMH-UHFFFAOYSA-N 456.616 2.957 30 10 JFEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc2cccnc12 1286468797 KBFQXKFEDZOICI-UHFFFAOYSA-N 460.563 2.952 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2c(C)nn(C)c2C)CC1 1286474948 OWLOXHZPNNDYQO-UHFFFAOYSA-N 468.403 2.861 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC(F)F)CC1 1286488619 PDVBVMDIOWGEAH-UHFFFAOYSA-N 499.360 2.673 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](CC)OC)CC1 1286491757 AJCNMDKEKONNTJ-NRFANRHFSA-N 453.587 2.865 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286559553 XKXIIPWVWKINQE-WIYYLYMNSA-N 494.687 2.734 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1286606992 ILDDQKJRQJJOFP-UHFFFAOYSA-N 458.570 2.912 30 10 JFEE C=C(C)COCCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1286613903 IFIFUACMPSNKBK-SANMLTNESA-N 483.613 2.875 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1286677912 MFMPGMRBGHWTHV-IBGZPJMESA-N 466.567 2.520 30 10 JFEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1286711229 JLFUALKIHXTOAH-OAQYLSRUSA-N 471.577 2.795 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1286785777 IMINHRGBVVRDQW-YLJYHZDGSA-N 468.558 2.976 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286792448 YAVDSAWXSJTOKX-HXUWFJFHSA-N 495.584 2.726 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C)n(C)c2=O)C1 1286802188 PRGBCBHONLCNPW-HXUWFJFHSA-N 450.499 2.690 30 10 JFEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)CC(F)(F)F 1286976717 GBWNZWWWZBXSCI-HOTGVXAUSA-N 486.564 2.959 30 10 JFEE CC#CC[C@@H](CO)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 1300299872 CXSJZVDFJUZFPK-SFHVURJKSA-N 451.552 2.711 30 10 JFEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300419826 UMJJVSNHGGLTPK-QFIPXVFZSA-N 455.628 2.871 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1300494153 ZFRGSAZIGSTDCB-FQEVSTJZSA-N 470.643 2.893 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(COC)cc1 1300512781 MVHYKIZLLYLAAY-UHFFFAOYSA-N 476.606 2.814 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1300711879 JKZIBLAJZNWVBF-PKTZIBPZSA-N 491.684 2.968 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)c(Cl)c2)CC1 1300725424 HILRJDWYVTWCKA-GOSISDBHSA-N 459.953 2.979 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(CSC)c2)CC1 1300727149 UKSTWIJUNHOQRV-OAQYLSRUSA-N 453.612 2.659 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)CC1 1300728751 FLFMEYZJRZVTKO-UHFFFAOYSA-N 490.633 2.635 30 10 JFEE 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464.339 2.766 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301520480 YANVISQXQQBLGC-QGZVFWFLSA-N 489.989 2.795 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301577415 JCYJYEVRWNJKCY-KKSFZXQISA-N 466.991 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1301578126 YMNHBIYFEVMYFC-FQEVSTJZSA-N 460.600 2.807 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1301579540 VHKLPMMXTODWGZ-UHFFFAOYSA-N 482.610 2.941 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(C2CC2)C1 1301802706 CRROWKJQKCSLBH-OAHLLOKOSA-N 462.396 2.886 30 10 JFEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCSC1 1301808442 DMJPTRUWSPZYIB-GOSISDBHSA-N 456.620 2.572 30 10 JFEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1302087368 GLPZICYNKFOVIC-QGZVFWFLSA-N 474.606 2.880 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1302223192 CQKBYHYKADOSOS-RBUKOAKNSA-N 465.558 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C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCCS2(=O)=O)C1 1359317705 OKQTUNMHZRYORR-RTBURBONSA-N 476.599 2.711 30 10 JFEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOC[C@H]1C 1359345626 LGANXNSKHLAAET-OAQYLSRUSA-N 456.660 2.787 30 10 JFEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)n2)CC1 1472523196 IAKVLWPDZMKHOF-UHFFFAOYSA-N 455.494 2.543 30 10 JFEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1499328296 FLGJYUJSPZSDBV-SFHVURJKSA-N 485.470 2.906 30 10 JFEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1500711044 BPLBZNDCFAXUNN-HXUWFJFHSA-N 470.643 2.952 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccnc(C(F)(F)F)c2)c1 1505120814 BDGJMTUALOQIQT-INIZCTEOSA-N 492.483 2.539 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(C(=O)NCC)CCC2)c1 1507550910 RZPXVPFBTPQQPG-HXUWFJFHSA-N 478.597 2.535 30 10 JFEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1507589955 SZOLVQOLPDRENC-UHFFFAOYSA-N 462.579 2.970 30 10 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2.874 30 10 JFEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1507750206 MDDDYIMRNDSBKF-GOSISDBHSA-N 450.568 2.887 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507756541 WCVXIRPGQAUBSH-UHFFFAOYSA-N 470.599 2.993 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1507797468 DIHQVHLULRQEAJ-ZJOUEHCJSA-N 474.606 2.515 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1507828453 FZDGEBMRSYPEDN-UHFFFAOYSA-N 451.531 2.664 30 10 JFEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(N)=O)c2)CC1 1507908662 AIESZUVHVVWYML-UHFFFAOYSA-N 450.568 2.819 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)C(C)C 1508013793 RCCKDPYIOPDWES-NIRIFSCTSA-N 469.634 2.761 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCC(NC(C)=O)CC1 1508071197 BWVYOQQPKONBEY-UHFFFAOYSA-N 450.543 2.877 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508106615 YXYYMJDXDQFVAM-VQTJNVASSA-N 480.613 2.973 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1508117339 TWESSQXNQJFDGE-CTUHWIOQSA-N 460.575 2.829 30 10 JFEE C=CCC1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCCCC1 1532896486 CKRJNFOLGPYUBH-UHFFFAOYSA-N 459.568 2.970 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539211752 KTGHDCLQHHNUPW-INIZCTEOSA-N 479.484 2.935 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539211829 PMRCAKULQFSDEP-YADHBBJMSA-N 464.595 2.802 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1539396973 VTBOPMMEWJZQKQ-UYAOXDASSA-N 458.632 2.647 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(OC)c1 1539416142 KIAQFCJZSCXVIQ-UHFFFAOYSA-N 461.570 2.595 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1cccs1 1539416343 MDYNLYQFMAXLIT-XMMPIXPASA-N 481.626 2.507 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cc(C)ccc2OC)CC1 1539428699 VXMPUFUGNJCEJR-UHFFFAOYSA-N 452.603 2.511 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(CN(CC)CC)c2)CC1 1539490511 WQEHRQRNAWHWST-XMMPIXPASA-N 478.641 2.986 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1539521101 YAGSSWYENWABMK-UHFFFAOYSA-N 461.570 2.968 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](C(=O)NCCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539609810 SDUCHRUQQCBOHE-UWJYYQICSA-N 484.439 2.970 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1539903385 YFCQAPAKEQWEKP-GOSISDBHSA-N 480.679 2.720 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539929352 UDQFCRDAEKOJOY-DQEYMECFSA-N 488.633 2.736 30 10 JFEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1539931585 MPHQTYVFIGHNNM-OAQYLSRUSA-N 489.580 2.580 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\CC 1540128689 ONSPSZQMDWFNCQ-NGXITPROSA-N 470.599 2.641 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540854804 FCMPZEKMSCFQDH-PKOBYXMFSA-N 457.575 2.704 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540855047 VVTBVGKXIHXJRR-IBGZPJMESA-N 489.418 2.645 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1540867067 JPBMPFHBILZYBT-XMMPIXPASA-N 457.575 2.906 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1540899281 JETRNQICGJLTGJ-UHFFFAOYSA-N 479.603 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](N2CCCC2)C1 1540901292 ZBCKCNUSNPOTND-IBGZPJMESA-N 459.616 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540907057 KONKJFNORDOOSJ-HXUWFJFHSA-N 484.626 2.884 30 10 JFEE CCC(C)(C)C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NCCOC 1548372602 NRCGVBKGTSLFTR-GOSISDBHSA-N 454.493 2.793 30 10 JFEE C=CCO[C@@H]1CCN(C(=O)NCc2cccc(-n3cc(CNC(=O)OC(C)(C)C)nn3)c2)C1 1565148453 HRPJDKGESQBSLC-HXUWFJFHSA-N 456.547 2.779 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1587946178 WJBGCSKSDLXOOA-IBGZPJMESA-N 467.492 2.685 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588035283 QQABYLSIOGYVAE-PWHSHALESA-N 498.715 2.723 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1ccc2c(c1)OCO2 1588093676 MILYTVZZOVOGCY-UHFFFAOYSA-N 468.311 2.916 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588310269 XDHWPDJJDMJPJB-OALUTQOASA-N 487.674 2.586 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(F)ccc1F 1588645704 BQKSIPAURQJZQG-FQEVSTJZSA-N 491.539 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2oc(CC)nc2C)CC1 1588947352 PCIBOXFGYVLLCU-UHFFFAOYSA-N 476.581 2.750 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589027408 NWNAAOBPZINISY-AWEZNQCLSA-N 472.011 2.574 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1589047630 CXYAUIJFEGVZNM-UHFFFAOYSA-N 493.406 2.946 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1589088575 ASUOIYVEEPTBSY-IBGZPJMESA-N 465.627 2.626 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1594732745 HLEJOFBHDJRIKX-QFIPXVFZSA-N 488.658 2.967 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C 1595100129 MZLAIXMOXSGFOS-QFIPXVFZSA-N 479.610 2.909 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O 1595120698 ZIPJCRZQSRERPO-UHFFFAOYSA-N 450.568 2.754 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCO[C@@H]1C 1595141332 FFZIIOHSNHQNCL-OEEWACLQSA-N 460.550 2.874 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1595497057 OQHWOOOCMYNKIH-GOSISDBHSA-N 481.488 2.737 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)(C)C)C1 1595804888 HNRYKGRNKONBOM-UXHICEINSA-N 476.599 2.643 30 10 JFEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCn1cc(Br)cn1 1602849151 GDZOGGOKPHWBKI-INIZCTEOSA-N 499.421 2.828 30 10 JFEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1611108777 ARWARSPETSICOK-GMAHTHKFSA-N 452.603 2.915 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCNc3ncccn3)C[C@@H]1C)C2=O 1615244881 INMZUYYFDOQDMA-YTEVENLXSA-N 458.902 2.656 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1615999346 CSMOXLSOWAEHCY-KOSHJBKYSA-N 468.558 2.558 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cc1 1622176451 RYERNHDCSHMABI-ZDUSSCGKSA-N 453.333 2.861 30 10 JFEE C#CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccc(F)cc2)c1 1628850170 WHGNIRWCGLTJKM-QGZVFWFLSA-N 450.919 2.974 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1 1629059306 NVCAGQJPMOYCMX-QGZVFWFLSA-N 451.470 2.626 30 10 JFEE C=CC1(CC(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CN(C(=O)OC(C)(C)C)C1 1630012971 GALTWJOLMCKYNH-MRXNPFEDSA-N 452.577 2.611 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 1631679276 GHWKANOZYLFVEB-CVDCTZTESA-N 459.543 2.543 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1 1644597352 XRPKZJOITJOTPW-HXUWFJFHSA-N 455.580 2.890 30 10 JFEE CCOC(=O)c1csc(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)n1 1655902291 GQICZPYRHUSPDT-INIZCTEOSA-N 459.547 2.916 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)n1 1667915863 OFPWOMZUGSPCKY-UHFFFAOYSA-N 451.449 2.797 30 10 JFEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)nn1CCC#N 1675916834 CLNALKBNYZVLSG-UHFFFAOYSA-N 458.588 2.941 30 10 JFEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 1678673924 DRHGWLCHQNEMKN-LJQANCHMSA-N 456.524 2.596 30 10 JFEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1683814350 LTHOPIDMSVVIML-WBVHZDCISA-N 455.602 2.686 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCCC1(C)C 1689830886 DHSMJNZGTJGYKV-MWTRTKDXSA-N 458.632 2.946 30 10 JFEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1689888511 KYCVIMQFIBFEAU-LJQANCHMSA-N 472.952 2.788 30 10 JFEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1689916113 AAINHNJNBLBWJM-UHFFFAOYSA-N 450.587 2.502 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1689994452 YOYOSDSCYBEOPU-QFIPXVFZSA-N 499.681 2.573 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2=CCCOC2)CC1 1690139145 BCLKEMLUXQFBIE-UHFFFAOYSA-N 469.973 2.920 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCc2ccc(OC)cc2)CC1 1690148468 IGQABMZKJGOVJR-UHFFFAOYSA-N 472.593 2.871 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)OC(C)(C)C 1690202774 DQNRXYZLRWPSCA-HSZRJFAPSA-N 456.547 2.913 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 1690238484 KCVNZIUVGCMMGG-RXVVDRJESA-N 489.642 2.681 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690302416 DNCRZJLGTVWAFG-KRWDZBQOSA-N 479.423 2.991 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690330442 HBOAXOSFANQEKR-MRXNPFEDSA-N 483.798 2.626 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1690465363 YOHNJKCMZKTZHN-LJQANCHMSA-N 451.568 2.743 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690507688 TYUJNIUADGDKMY-JKSUJKDBSA-N 467.496 2.879 30 10 JFEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690520994 LWXPZDGHKCFCBK-GOSISDBHSA-N 453.465 2.602 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690675817 GMZGJVGPMGTNBH-FQEVSTJZSA-N 482.629 2.853 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1690684930 RQRBOLPDYNIQLD-ZWKOTPCHSA-N 485.589 2.962 30 10 JFEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1693744006 GEFIISRYOQWJOY-PMACEKPBSA-N 466.634 2.883 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705526656 NFSRVJMQFCAIQZ-UHFFFAOYSA-N 463.542 2.501 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1705562660 HJQDMLNGZYRTEQ-LJQANCHMSA-N 478.578 2.777 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1705564802 QHPWDYZHYVQKGL-FQEVSTJZSA-N 467.595 2.937 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705568037 GAICOPCKVQPYFX-VXKWHMMOSA-N 485.654 2.531 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705590757 VQXNZLYRNVKQDO-CPJSRVTESA-N 471.602 2.793 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1705602062 HKVQRWHQCFYZHH-VXKWHMMOSA-N 484.645 2.660 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1705603403 OPFQJVQECPSZMQ-QFIPXVFZSA-N 484.645 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1705649284 RTNGILFCPYNKQI-UHFFFAOYSA-N 498.534 2.908 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705653863 RJCAKHDVBNPRNI-WAOWUJCRSA-N 469.611 2.898 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1705671704 UFXVSJGZIIHVGD-JOCHJYFZSA-N 498.385 2.861 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1705686532 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C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722358573 DGJNGPNYZFFEHH-SQJMNOBHSA-N 486.638 2.675 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1722365728 NTRDIKSPFGDONE-SFHVURJKSA-N 475.665 2.873 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1722368640 SJTYOQQEZCHXOH-PXNSSMCTSA-N 477.581 2.753 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](c1cccs1)N(C)C 1722376297 LTHYAFVAOHDSSE-IBGZPJMESA-N 495.678 2.984 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722385247 BFMQQBKKSVMOBC-ISKFKSNPSA-N 495.649 2.751 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722461578 RZTACYFXPUKVIT-UHFFFAOYSA-N 479.647 2.625 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1722467002 KBXDFOXMBXTYBM-KGVIQGDOSA-N 476.672 2.779 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722494636 RBBKFABYXJJPLE-NCOADZHNSA-N 457.497 2.651 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1722637130 FJBKWHAXMJSOLP-SFHVURJKSA-N 451.575 2.579 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1722725047 KXRCBDCHZRMYIV-IYBDPMFKSA-N 498.074 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H]1CCCCO1 1722730432 RHFVTRMGCFFGCF-HXUWFJFHSA-N 457.600 2.887 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1722730586 WVKRUETXVIXSPB-FPOVZHCZSA-N 460.600 2.772 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)c3ccc(O)cc3)CC2)nnc1C(C)(C)C 1722731173 FVWOVPWTAVAUPM-UHFFFAOYSA-N 460.600 2.981 30 10 JFEE CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1723240824 HVDKGAKCMZVJHA-JOCHJYFZSA-N 478.645 2.689 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1OCC(F)(F)F 1723923758 AQOIXXFOTLBFFX-CQSZACIVSA-N 486.520 2.618 30 10 JFEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 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Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)Nc2nccs2)[nH]1 253562205 DAHTXVQRZOQLOD-SSDVNMTOSA-N 482.599 2.998 30 10 JFEE COc1ccc(Oc2ccc(C=NNC(=S)NCCN3CCOCC3)cc2[N+](=O)[O-])cc1 254633350 RWUFYZPOYWCDMO-UHFFFAOYSA-N 459.528 2.526 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccc(O)c2)cc1 526769818 WUAJKSZAHFUOQL-OAQYLSRUSA-N 480.498 2.831 30 10 JFEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc(Cl)c3)n2N)c1 1084108635 IWFARQRWERGNTB-UHFFFAOYSA-N 458.935 2.781 30 10 JFEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)Nc1nc2ccccc2s1 1084428195 QNGNZHJYXNMGDB-UHFFFAOYSA-N 454.541 2.874 30 10 JFEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CC2=O)cc1Cl 1124089352 FZBLYWPPAIEHIB-FPOVZHCZSA-N 452.942 2.582 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC(O)(COC)C2)c1 1159441272 DLGKMVJFYFDARB-UHFFFAOYSA-N 450.944 2.555 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C2CC2)c1 1177795837 QAPSLJBMJIXLFW-HSZRJFAPSA-N 454.548 2.765 30 10 JFEE C=CCCc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OC)cc1 1190070716 QNMWBYOLIMRYTA-LJQANCHMSA-N 452.573 2.978 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1286296438 OPPIJPBVIUONIT-ZWKOTPCHSA-N 492.621 2.911 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1OCCN(C)C 1286376246 IGBBIVXPUABEEC-NRFANRHFSA-N 498.628 2.645 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1286395213 RQHFVOKVMRDRSK-PMACEKPBSA-N 476.693 2.653 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1cccc(C(F)(F)F)n1 1286462375 IYDKFWAXMWKARQ-UHFFFAOYSA-N 492.458 2.585 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)c1cccs1 1286463466 GWIYSKGFJTYDJA-QHCPKHFHSA-N 454.552 2.772 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)SC)CC1 1286491835 DAHMICIIHYCUBO-UHFFFAOYSA-N 466.611 2.836 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1286505432 ZRTDDNBHCWROCW-OAHLLOKOSA-N 467.521 2.652 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286672873 RESJNSJSCMLQJI-IRXDYDNUSA-N 467.636 2.886 30 10 JFEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccccc1 1286681830 USSKCYVTUQRXHB-CPJSRVTESA-N 450.587 2.723 30 10 JFEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286708398 PJVQHDBTKKKPJW-KRWDZBQOSA-N 469.405 2.924 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CC 1286766790 WMQSCFPIOKZFAW-WOJBJXKFSA-N 461.632 2.883 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)Cc1cccs1 1286778784 JAUAVHSRUUWHJE-UHFFFAOYSA-N 454.556 2.678 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCOC2)C1 1286806308 WOTCKGMBTFDPKB-FOIQADDNSA-N 467.339 2.779 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)OC)CC1 1286826114 WWCADSGKWDPUQH-UHFFFAOYSA-N 469.409 2.854 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 1286925738 DMCFBQDNNYQLGA-IFMALSPDSA-N 452.559 2.650 30 10 JFEE Cc1nc(CCn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 1290461645 BKXPOVRXDZPAOW-UHFFFAOYSA-N 453.620 2.724 30 10 JFEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1297998581 HRFPBJOLMGEQGL-IBGZPJMESA-N 481.601 2.988 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3cncc(Cl)c3)CC2)s1 1298696649 GZVACOCRWNQYEI-UHFFFAOYSA-N 455.989 2.873 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnnn1CC1CC1 1300281303 BXRXQMMMGCIQFB-ZDUSSCGKSA-N 471.363 2.619 30 10 JFEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1300372683 JZYVNBKLGBZLAD-UHFFFAOYSA-N 465.533 2.925 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC2CCOCC2)CC1 1300394151 MOHHEUYSAXYTSX-UHFFFAOYSA-N 453.587 2.924 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300497249 ADBMPJHAKVMBOZ-RBUKOAKNSA-N 491.608 2.506 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCCCC1=O 1300511561 ABWFIAXAABFFRX-UHFFFAOYSA-N 457.376 2.522 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(NC(C)=O)c1 1300586691 IMJYJSIDTLDBOR-UHFFFAOYSA-N 451.534 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCN1CCN(c2ccccc2)CC1 1300587154 PPOWSSZIOFLWBA-UHFFFAOYSA-N 467.621 2.939 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NCC)c1 1300631305 PLPVOBSCCHYECC-OAQYLSRUSA-N 496.612 2.844 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCS2)CC1 1300716701 OVSXVPVJUSSRRH-MRXNPFEDSA-N 477.432 2.897 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300884611 LBAGCCKEKRDRID-DYXWJJEUSA-N 467.680 2.956 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1300936391 AMHZTMRIZVMRNW-UHFFFAOYSA-N 483.642 2.597 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC(C)CC2)CC1 1301123187 ABFCTLBERRQRLE-JOCHJYFZSA-N 494.706 2.526 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)C1CCCCC1 1301411566 ZHEAEDQRIVMYPR-FQEVSTJZSA-N 454.575 2.848 30 10 JFEE COCCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301429611 GKRGEOPYKHUKMD-UHFFFAOYSA-N 460.586 2.920 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1301454092 JDUVZZVMFIHRHK-UHFFFAOYSA-N 463.586 2.992 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(F)(F)CC2)cc1 1301519765 XYIYPYAGPQHVNI-HNNXBMFYSA-N 455.531 2.737 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1301541999 HRSBALWSLFRSGS-PZJWPPBQSA-N 459.616 2.570 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301615937 YVIPTWIPINMLOA-UHFFFAOYSA-N 463.611 2.609 30 10 JFEE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1301711085 GAXBKAMKQLRXIT-QGZVFWFLSA-N 461.526 2.717 30 10 JFEE CC(C)c1nc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CCO2)no1 1302544986 FFQOLYNUPIUQBF-QFBILLFUSA-N 450.547 2.851 30 10 JFEE Cc1cc(C)cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1304162846 AFZJJVVZHNHXDG-QPPBQGQZSA-N 486.642 2.601 30 10 JFEE CCCC(O)(CCC)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1306595123 BNNXDBGBODMFQL-HSZRJFAPSA-N 467.549 2.965 30 10 JFEE CN(C)CCN1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1314669307 APMOIQUWXLNLAD-QHCPKHFHSA-N 451.619 2.564 30 10 JFEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1314943662 AOZTVJAYIYKUES-GOSISDBHSA-N 497.600 2.604 30 10 JFEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1315163612 BQGMHORHNQSIAA-ICSRJNTNSA-N 454.575 2.752 30 10 JFEE COCCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1315956296 AVVDQKMMBPBZSE-UHFFFAOYSA-N 474.631 2.740 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1358965525 WUFFAALYKBPTQA-HXUWFJFHSA-N 485.997 2.601 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358966055 HDNSXHASIWDHIS-OAQYLSRUSA-N 458.632 2.623 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1358966341 MVHOLKUEVKGLFA-RTBURBONSA-N 485.635 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C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)cc2)C1 1359321512 HJZXGKURTUNEOD-CTNGQTDRSA-N 460.600 2.799 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1359324128 DBRPPQLNPFVOHS-FQEVSTJZSA-N 460.600 2.914 30 10 JFEE Cc1ccc(C(=O)NCCn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)cc1 1361122219 FWMNOYQDIONRSC-IBGZPJMESA-N 456.554 2.851 30 10 JFEE N#C[C@@H](c1ccc(F)cc1)N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 1473374703 GGUVWLOXEXQNDG-SFHVURJKSA-N 455.559 2.686 30 10 JFEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C(C)C 1503969271 AWLPQVQPQWVNHS-PZJWPPBQSA-N 474.631 2.596 30 10 JFEE N#CCCN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1505324145 AEAUVZBDEPDHBI-GOSISDBHSA-N 461.563 2.951 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507621462 AOWFNVVLESCMKH-BWKNWUBXSA-N 499.637 2.589 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1507629978 SDTTXIRWABZJNF-GOSISDBHSA-N 473.599 2.820 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507630409 YHPJRHYUZPYXRQ-QGZVFWFLSA-N 493.511 2.857 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCN(CC)S(C)(=O)=O 1507682027 GMJXUMRLRSLNOC-UHFFFAOYSA-N 468.421 2.839 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507688340 ZUZNZVRNAPYEEU-MRXNPFEDSA-N 465.558 2.565 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1507718314 OCERCYZHQWPJRC-JOCHJYFZSA-N 464.570 2.613 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCCNC(=O)OC(C)(C)C)CC1 1507724485 QTDUIERZGFDGDJ-UHFFFAOYSA-N 482.629 2.938 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN(CC)CCC(F)(F)F)CC1 1507728208 PNESRBBOQQPSLQ-UHFFFAOYSA-N 454.566 2.960 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OC 1507765121 YLIFVVPGEPDTDE-HSZRJFAPSA-N 451.552 2.793 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507787829 HRJCSBAKFHPRHQ-QGZVFWFLSA-N 452.422 2.998 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1507956517 ASXYRADAGOZLKH-UHFFFAOYSA-N 475.540 2.873 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br)C1CC1 1507987457 CJSSWJTWGZDQFX-ZDUSSCGKSA-N 454.394 2.854 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508092463 QAJLLIZTKADGRP-ZYLNGJIFSA-N 469.586 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1508131875 RNZDHHKSTQFJPL-PKOBYXMFSA-N 478.018 2.841 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1ccco1)N1CCCCC1 1510192823 DANSPWCBGKIIRU-YCRNBWNJSA-N 489.646 2.839 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCN(C(C)C)CC2)n1 1511702068 CQAAFWVBEIOECQ-QHCPKHFHSA-N 454.623 2.505 30 10 JFEE C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1512145281 DWGMXCWUOSVURJ-FQEVSTJZSA-N 479.629 2.501 30 10 JFEE CCC[C@@](C)(O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1514271267 CIFWLGVTEOCHSF-JWQCQUIFSA-N 486.592 2.819 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2=CCCOC2)c1 1539040150 NOHQXULQZPUITJ-AREMUKBSSA-N 479.581 2.722 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1539205036 FNXDKCQMRXAUHH-MRXNPFEDSA-N 492.399 2.623 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1539222413 VWKATGJFPXQTEJ-SFHVURJKSA-N 479.553 2.650 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1csc([C@@H](C)OC)n1 1539246078 NUMHHEUSFPVPPN-MRXNPFEDSA-N 469.592 2.634 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCC)CC1 1539246964 ZSWRVMBLXSQNII-UHFFFAOYSA-N 453.612 2.543 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCOCC2)nc1 1539383935 PPKNNMMSIUKCPU-IFMALSPDSA-N 452.603 2.936 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccs1 1539385037 VDPXPFDLPCMFKC-INIZCTEOSA-N 461.588 2.971 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1539395245 AXMQTAUZSWZVGJ-JOCHJYFZSA-N 490.612 2.636 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCS(C)(=O)=O 1539399427 LARYTFVVJCVKMS-UHFFFAOYSA-N 489.823 2.882 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1539424543 SJEXHXNEPSGUEP-HSZRJFAPSA-N 489.624 2.995 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC[S@](=O)CC)CC1 1539436714 ZOXKRBNPKFXTIE-MGBGTMOVSA-N 467.595 2.641 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC[C@@H](C)N2CCCCC2)CC1 1539459942 SMUIRCORZNCPOW-HSZRJFAPSA-N 450.631 2.919 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1539474040 HXGFAFGQYTZGBI-UHFFFAOYSA-N 487.551 2.742 30 10 JFEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1539527547 HVVUUSFQFXXFCG-QAPCUYQASA-N 452.486 2.844 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1539686456 WUUAWIXRQSLILS-UHFFFAOYSA-N 480.660 2.526 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539729916 UEZAZYTYBVBXMJ-QGZVFWFLSA-N 462.348 2.941 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1540129123 SAABMHYIWIWMAF-OAQYLSRUSA-N 479.610 2.643 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1540186854 HTDOFOFKKMTLKS-MJGOQNOKSA-N 499.584 2.875 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(C)C2CC2)C1 1540892544 NLOCRCWWECHCBP-CEWLAPEOSA-N 490.649 2.851 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 1546212854 AMHYROCSHUPIGI-QGZVFWFLSA-N 456.597 2.640 30 10 JFEE CCc1nsc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@](C)(O)C(C)C)CC2)n1 1546571773 CHTULLAIXHXZHF-QHCPKHFHSA-N 466.615 2.964 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2sccc2C)C1 1547785933 BXRWGCKWQWLOLL-LJQANCHMSA-N 486.623 2.665 30 10 JFEE CNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1554377590 HEYUVRDPIOILCC-UHFFFAOYSA-N 460.586 2.953 30 10 JFEE COCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555217629 CEYPUXDKISAHCD-SFHVURJKSA-N 461.574 2.698 30 10 JFEE C#CCN1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1 1565815119 WDYBGAPDDLIYRX-UHFFFAOYSA-N 457.983 2.873 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1587706793 SVIINJDRKMFKIX-FQEVSTJZSA-N 484.576 2.935 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1588049159 AYBULVZCSQQEOY-LJQANCHMSA-N 485.997 2.986 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588055765 ZAOSCDSLJLILIB-ZWKOTPCHSA-N 482.528 2.670 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588069235 JVFPBPUNSGEVIQ-IRMYBRCSSA-N 470.639 2.894 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1sc(C)nc1C 1588193441 CXWLCVRCWFXMCA-UHFFFAOYSA-N 453.593 2.933 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588205196 GHJUQZVPCZFGCL-VWLOTQADSA-N 483.620 2.899 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588276069 HFPWVEBNYDEDQM-UHFFFAOYSA-N 488.390 2.750 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588413238 QYKUKOBMRBEKME-PMACEKPBSA-N 453.541 2.814 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(CCOC)CC2)CC1 1588812150 PTVQPDXGEVMLOM-OAQYLSRUSA-N 486.661 2.965 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1594192479 JBCSJUNXSQCMPU-UWJYYQICSA-N 476.647 2.602 30 10 JFEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1594615305 HEHPBIWAZYYHQC-FGZHOGPDSA-N 452.603 2.877 30 10 JFEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)O[C@H](C)C1 1594788392 MAFDUCZMLSHGAH-CALCHBBNSA-N 462.620 2.753 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1)C1CC1 1595058958 YFZHWJVYTGNZJU-UXHICEINSA-N 477.606 2.937 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1595108772 KLNDNAPXONDLFJ-IBGZPJMESA-N 480.535 2.872 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@H]1C 1595297541 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C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 1705645455 UYIQUQQBOMKBDC-AEFFLSMTSA-N 491.514 2.947 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(F)F)CC1 1705652077 PBNFWRGHSIKEBW-UHFFFAOYSA-N 482.988 2.615 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cnccn2)CC1 1705666645 XIGCXXQWAXYBIW-UHFFFAOYSA-N 470.002 2.994 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1705699589 IWYFRLCRNZKTLA-WEYGHZABSA-N 455.559 2.864 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)s2)CC1 1705781819 IPZNQLLGIVGTBT-KRWDZBQOSA-N 486.063 2.971 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1705800052 NJEAGSJLJKQPTA-FDDCHVKYSA-N 459.616 2.923 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705897574 OYWRRKQZBJFVFG-RBUKOAKNSA-N 486.592 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@]1(OCC)CCOC1 1705938973 OFLHZMVCZQOZHN-HXOBKFHXSA-N 478.590 2.794 30 10 JFEE CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cn1 1711005901 COULONIVFSDLEL-UHFFFAOYSA-N 459.602 2.969 30 10 JFEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722367919 YATXUKDDYSOGPB-VPAQAXSESA-N 478.659 2.943 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1sc(C)nc1C 1722446714 JLTRBQPSJHXUKQ-UHFFFAOYSA-N 477.594 2.594 30 10 JFEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722455906 NYFZDGFDLILZIG-UHFFFAOYSA-N 451.552 2.881 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722497243 TWGNVXZCNCORMS-KNQAVFIVSA-N 473.021 2.838 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccccc2F)C1 1722723063 VMLGFENEDHJOJI-IBGZPJMESA-N 450.518 2.614 30 10 JFEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 1730062943 FNRMAPHEGHKPOP-JOCHJYFZSA-N 465.602 2.636 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncccc1N(C)C 1740531030 DDJRCXDBTCBODM-INIZCTEOSA-N 451.962 2.829 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)cc1 1740640298 KBOJTQBGSBKMEH-OAQYLSRUSA-N 465.554 2.716 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1cccnc1N1CCOCC1 1740645771 SKARMHLDOJRQHZ-UHFFFAOYSA-N 488.617 2.932 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1740665777 PMVKQYLWEBUGAC-KRWDZBQOSA-N 465.562 2.636 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1740685708 LFCLSWQGLIJFEC-PCCBWWKXSA-N 489.617 2.654 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1740707059 NASBKLJZGREBSQ-AREMUKBSSA-N 493.011 2.791 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1740710288 VQQNJSBVLZMLPI-HXUWFJFHSA-N 452.628 2.591 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1740731170 QMPYYINMEUFXQP-AFMDSPMNSA-N 493.612 2.927 30 10 JFEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740813715 GQTICXSURKPXIS-UHFFFAOYSA-N 472.037 2.930 30 10 JFEE 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30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749046611 CTWSMXMBMLHBOY-GLDPYIMESA-N 467.595 2.868 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1749069136 UXMCWOHCIZCPGG-KHCICDEESA-N 457.575 2.924 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749096137 HIZXEYXZKHYMFY-UHFFFAOYSA-N 470.375 2.986 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749105544 KDOJTNKELLKOFI-KRWDZBQOSA-N 473.375 2.559 30 10 JFEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)cs1 1749451064 CKRQRJHVWCNAKT-UHFFFAOYSA-N 465.583 2.950 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC 1749532740 XGDRNXDIVFZDRU-UHFFFAOYSA-N 454.538 2.717 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@H]1C 1749541530 QYCZLIZOYRHQFI-BXKMTCNYSA-N 466.517 2.797 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749651194 PIXPFWQNGTZXHZ-AABGKKOBSA-N 468.602 2.792 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1749679771 ASJZOIOYKAFKSQ-UHFFFAOYSA-N 498.584 2.759 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749697136 HUOFSEWRVIZJGX-FCEUIQTBSA-N 473.643 2.883 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C)CC1 1749729691 OLZYBPPUDHFVLL-UHFFFAOYSA-N 488.017 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1749738208 ITTHFQKWABTYKJ-UHFFFAOYSA-N 488.614 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N(C)C1CC1 1749740227 SILOMSGWZFEDEC-UHFFFAOYSA-N 455.378 2.819 30 10 JFEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1750193833 CHSFMUMIAUJCKJ-IEBWSBKVSA-N 496.559 2.714 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1760099810 MABSRSYMYSEIQD-RCSBWOJUSA-N 481.641 2.782 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(-n2cncn2)nc1 1760112983 OKFXBCKATAVZBK-AZUAARDMSA-N 491.600 2.875 30 10 JFEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760156221 ZQNFAJZLMQLJFB-UHFFFAOYSA-N 459.616 2.541 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)CN1CCN(CC)CC1 1760201956 OMOYUYBWSZIGOI-JOCHJYFZSA-N 471.609 2.947 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@@](C)=O)cc1 1760224002 UJZGBHFQNWBMBD-MGBGTMOVSA-N 479.631 2.659 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1760225327 NGZYNCLMLDUVLC-QGZVFWFLSA-N 490.630 2.938 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)n1 1760253275 XPSUURAEPHMCNR-REWPJTCUSA-N 473.581 2.972 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)C)CC1 1760265521 CXJTXODOFVZEFP-OAQYLSRUSA-N 494.640 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1760266981 QDMIFBYOWDWLQE-RBBKRZOGSA-N 451.571 2.735 30 10 JFEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1760280922 NQXPHLYATNCZFU-UHFFFAOYSA-N 463.604 2.562 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1760284943 VHXDBBDKXYMUBT-UHFFFAOYSA-N 498.653 2.501 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cnnn1C 1760292067 OBVJSQBTRSIYHF-HXUWFJFHSA-N 456.348 2.885 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1760296783 YEADMOHLGRTJPX-OPAMFIHVSA-N 463.554 2.563 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1760315203 BFIFUYAOAGGTSL-ORVPSHMPSA-N 489.642 2.622 30 10 JFEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760347486 DABDLDFSGPAAAY-UHFFFAOYSA-N 486.598 2.690 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1760373470 SRFMLYDNSVHTES-GOSISDBHSA-N 458.950 2.687 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760417140 WPMLJMUSNHNTNG-SFTDATJTSA-N 475.634 2.680 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1760478245 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2.649 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCS(C)(=O)=O 1705592356 IIPDUQKVMPCJMR-UHFFFAOYSA-N 463.401 2.914 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(C2CC2)C1 1705603733 UBZKBERDTGENEH-PCCBWWKXSA-N 466.630 2.996 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705609640 KXYLBJIRCRAEJQ-WIYYLYMNSA-N 487.626 2.626 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(=O)NC(C)C)CC1 1705633025 HNHSERFOBKESQQ-SFHVURJKSA-N 458.994 2.741 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1705641087 POGISRZFWOTOCM-UHFFFAOYSA-N 492.653 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCN2CC)CC1 1705650738 XKSOBIXYNKYHDE-OAQYLSRUSA-N 454.644 2.771 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705656974 OWKSDYSUIAMJNT-UHFFFAOYSA-N 479.654 2.564 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705722377 IYKVTYLFGCAOCG-NHCUHLMSSA-N 486.686 2.920 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705724338 GRDBLWBDRNQSTA-KRWDZBQOSA-N 465.558 2.918 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705745590 DLHOSUPFCLRDQT-UHFFFAOYSA-N 451.358 2.925 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705789105 YUJSCCICIHTCMI-LJQANCHMSA-N 459.558 2.951 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCO[C@H]1C 1705858437 XSIANVQRHTVLML-LZYPDUGYSA-N 481.597 2.923 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1C(C)(C)C)C(C)C 1705868764 ARIYPWHMKNKODL-NRFANRHFSA-N 453.635 2.931 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705876457 YKUOYOHYYOQHMH-QZTJIDSGSA-N 465.620 2.758 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1705878148 ISMXVAPQMBBTQH-IBGZPJMESA-N 472.640 2.818 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](F)(C#N)C1 1705902000 CFIISULZICYSQA-HSZRJFAPSA-N 450.474 2.861 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1705909613 BISWMEDZAUCFNL-UHFFFAOYSA-N 462.554 2.685 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 1705909868 KFFSXLQAXHCADP-LJQANCHMSA-N 476.537 2.928 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C1 1705925138 LMYFZXSEQJOKHN-WOJBJXKFSA-N 486.621 2.856 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCO[C@@H](C)C1 1705930076 DVCWFDPWXRHESO-DLBZAZTESA-N 452.552 2.773 30 10 JFEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705942335 PDBRAVRDLYIVMU-UHFFFAOYSA-N 458.632 2.900 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1706743510 CEDGHUCBVJREQM-SFHVURJKSA-N 487.052 2.626 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722291532 QZWJYPZAJSQMML-UTKZUKDTSA-N 458.557 2.548 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722359382 LZGKEBQAFARBQR-SFHVURJKSA-N 486.941 2.577 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1722364010 IZYJFLSPVDYYGL-INIZCTEOSA-N 498.447 2.725 30 10 JFEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722365442 DNGWWKJXGXFBCA-YZGWKJHDSA-N 491.658 2.675 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369080 VJJPQVOUUOOWRD-BZSNNMDCSA-N 454.662 2.924 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2c(F)cc(F)c(F)c2F)n1 1722429837 TWUATKGBUYUIPQ-HNNXBMFYSA-N 492.477 2.869 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1722439395 AEQWGCLAWYHELL-UHFFFAOYSA-N 460.582 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@H](F)COC)CC1 1722444000 SABMQEPUZXFJJC-LJQANCHMSA-N 464.545 2.752 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(N(C)C)CCCC2)CC1 1722446741 ABNCRTHVRLECTI-UHFFFAOYSA-N 484.595 2.987 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C(C)C)CC1 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C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1cc(C)oc1C 1740547432 UVCNSBYOIQAZOP-NPMXOYFQSA-N 470.599 2.814 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740616932 JDVJKHMRRYJAMN-LEWJYISDSA-N 495.653 2.842 30 10 JFEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1740617936 ZDUIKVBSBUSVIW-WMZHIEFXSA-N 494.564 2.543 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1740623624 XWSRKFKIBKGZHA-OAQYLSRUSA-N 472.611 2.636 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1740626752 CFXBDEQDKWGUKJ-DLBZAZTESA-N 477.656 2.753 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(N2CCCCC2)c1 1740646488 AWRNHTASFSXILO-SANMLTNESA-N 462.598 2.827 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1740653207 DQVKKHOSMLGABG-UHFFFAOYSA-N 458.566 2.833 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)c2ccco2)CC1 1740697515 HINLZKGLJXCVER-QFIPXVFZSA-N 470.371 2.964 30 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C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1286797003 ZGTLCAOQTSMVGY-JPYJTQIMSA-N 475.615 2.508 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCS(C)(=O)=O)C1 1286805123 QZEFQOXQGLSZPG-SFHVURJKSA-N 456.572 2.551 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1287605073 DRINQUVKXZERCX-HXUWFJFHSA-N 478.663 2.739 30 10 JFEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1289302679 AOPWZAZRWWCYJS-GXTWGEPZSA-N 458.510 2.860 30 10 JFEE COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 1300215769 HFNKUWRFXGLQCI-UHFFFAOYSA-N 478.601 2.782 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2Cc2cnn(CC)c2)c1 1300333625 BBBOSUIFFZOMGR-UHFFFAOYSA-N 474.594 2.955 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300504776 RWXRHLILWKKHBT-NRFANRHFSA-N 486.638 2.741 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)N1CCOCC1 1300654711 FCNQPJXTDRLGQU-MRXNPFEDSA-N 480.382 2.653 30 10 JFEE 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C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301246237 NPSJLFQSDUIKIW-UHFFFAOYSA-N 464.549 2.917 30 10 JFEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301252302 MYMLOYKSSUCUNO-OAQYLSRUSA-N 454.575 2.538 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301444684 XGEDYYMLKYSLJS-OAHLLOKOSA-N 453.996 2.901 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1301481229 JRVYGWYCAZGKMY-OAQYLSRUSA-N 463.561 2.983 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC(N)=O)CC1 1301484756 MRQNXSRMCWTSII-HNNXBMFYSA-N 456.616 2.525 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301484954 PCYMOCFBMNBYPW-IBGZPJMESA-N 465.558 2.814 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3cccc(F)c3)C2)C1 1301539690 VTOSOGRSILCJNQ-QOJCHSLYSA-N 463.579 2.927 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(C)c2)CC1 1301589681 WEJJNGRCFALIKJ-OAQYLSRUSA-N 459.616 2.756 30 10 JFEE 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C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1 1359255749 JFRIHZNRBIRGDX-LPHOPBHVSA-N 460.629 2.706 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1359304631 DPMNCBWRFHHUGZ-KRWDZBQOSA-N 473.006 2.959 30 10 JFEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](SCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359305785 MTCNRMFLIZRUKE-GCJKJVERSA-N 451.637 2.733 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCSC1 1359332516 ZKLYVEHKINKFHN-MSOLQXFVSA-N 499.703 2.935 30 10 JFEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359340388 LMJFNBVPAWTWJE-UHFFFAOYSA-N 457.648 2.763 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1359552831 DHIXITVPUIBMLT-VWLOTQADSA-N 477.569 2.948 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cnc(O)c(Br)c2)n1 1442961811 BMEGEYFJZMCFSY-UHFFFAOYSA-N 453.347 2.916 30 10 JFEE C=CC[C@@]1(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)CCCN1C(=O)OC(C)(C)C 1464317170 NTYVALSQYZMCSE-NRFANRHFSA-N 450.561 2.537 30 10 JFEE 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2.865 30 10 JFEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508167516 MLPBTPVRGFXBET-OAQYLSRUSA-N 466.604 2.930 30 10 JFEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn(C)c1)N1CCOCC1 1508871800 GDWQTHZTXVWKKU-NRFANRHFSA-N 450.547 2.563 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC2(C)C)CC1 1513201237 GPHDWQOCBSBIPD-CTNGQTDRSA-N 479.629 2.812 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCSC1 1519161684 AITYZIKWBQUIOW-JOCHJYFZSA-N 454.556 2.835 30 10 JFEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NCC(F)(F)F)CCO1 1521136595 GULWZGGFXYTTGP-LBPRGKRZSA-N 493.273 2.571 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1539071881 GPDWQGVRKGZZDL-RBBKRZOGSA-N 485.654 2.876 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1539150055 ZCKZNLPWLXVULC-WZONZLPQSA-N 459.591 2.835 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539206017 LRRADAGPRDLUNM-FHWLQOOXSA-N 488.601 2.844 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC(C)(C)C1 1539245983 MNESSGMZCXMWGK-UHFFFAOYSA-N 453.612 2.543 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCCC1(C)C 1539312292 NTAGHYKYNGYLTE-LJQANCHMSA-N 454.600 2.516 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(=O)NCC)CCC1 1539337347 HKPQKQRSASERND-BGYRXZFFSA-N 482.629 2.818 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)CN2CCCC2)CC1 1539461300 DMBXSVHTUZVIOR-UHFFFAOYSA-N 466.630 2.743 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)CC1 1539462876 NTLFYCRKRFSTIB-UHFFFAOYSA-N 461.035 2.894 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)Oc2ccccc2OC)CC1 1539483501 ZNMXECKMTCAXNY-LJQANCHMSA-N 453.587 2.919 30 10 JFEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](C)C1 1539595093 AELQBMMSPVMNPK-IYBDPMFKSA-N 462.396 2.974 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539631573 MNMHPJUUYIRUGW-SJBKTWHCSA-N 458.651 2.591 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2.779 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1740962313 AJXGZUZGSLNTEY-UHFFFAOYSA-N 493.656 2.691 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(F)(F)CC1 1740988204 WVQZITRXFAFBBP-UHFFFAOYSA-N 456.515 2.799 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1741000733 FMYXWDZASCOLIQ-VQTJNVASSA-N 462.664 2.572 30 10 JFEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1741005521 YGSRSMRQDIXBSL-QHCPKHFHSA-N 488.589 2.730 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1745762037 GEFYVUFTHYKFCO-ZEQRLZLVSA-N 493.656 2.916 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1746034796 BRNPSOMNVAMRJF-UHFFFAOYSA-N 451.575 2.524 30 10 JFEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(C)(=O)=O 1748714583 JHAFHTNBVFBXEI-SFHVURJKSA-N 467.636 2.677 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1748730853 WBHMQSURLGVCNY-NRFANRHFSA-N 488.596 2.958 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491.017 2.935 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1760566446 UHXKGPGPYHPTGP-KZNAEPCWSA-N 454.662 2.883 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1760804305 BDXOEKDZSKCPJC-XIFFEERXSA-N 468.627 2.955 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C(C)C)N1CCCC1 1761234958 IBJNWJQOUVFFAW-HSZRJFAPSA-N 478.645 2.735 30 10 JFEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1763006102 IFZYFCUBZOKQTK-DENIHFKCSA-N 465.602 2.518 30 10 JFEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1763006104 IFZYFCUBZOKQTK-SIKLNZKXSA-N 465.602 2.518 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)Nc1c(C)cccc1C 1764127253 GDNXRVKHOOQWEZ-QHCPKHFHSA-N 455.538 2.894 30 10 JFEE CCOc1cc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)ccc1OC(F)F 1765962026 AQCGLFFWOQVXQZ-OAHLLOKOSA-N 457.441 2.512 30 10 JFEE CCN(CC)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1766683318 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JFEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)C(C)C)C1 1540884224 MAJSWCPPEVADLV-RBUKOAKNSA-N 476.647 2.999 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1CC 1540901336 ADWGQSXHYOWBCA-CRAIPNDOSA-N 456.572 2.820 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1540904697 OVHILIZVEGVTMY-UHFFFAOYSA-N 499.662 2.555 30 10 JFEE CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1OC 1547952680 HVVVVGABBVYJJT-ZEQRLZLVSA-N 454.575 2.549 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)COc2cccc(C)c2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367830 QIFBVXIYIMOYTN-FQEVSTJZSA-N 460.456 2.728 30 10 JFEE CN(C)C(=O)[C@H]1CN(C(=O)c2cn(C)cn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376715 GCJWDGJEKBJQDU-LJQANCHMSA-N 488.514 2.758 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1sc(C)nc1C 1554393707 BLSRHUDFIQOMRE-HNNXBMFYSA-N 467.599 2.863 30 10 JFEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@](C)(O)c1ccccc1Br 1556372466 FPHQNCAMERVPEG-NRFANRHFSA-N 456.344 2.937 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1568890203 QFXJYGYEAVDGDV-QGZVFWFLSA-N 450.532 2.917 30 10 JFEE Cc1nsc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccccc4)n3)CC2)c1C#N 1584061322 BGVISXAJGLIOLP-UHFFFAOYSA-N 452.565 2.923 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1587783141 KWBPWLNLDFRAIT-LJQANCHMSA-N 483.642 2.655 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1588029308 FYAPMXDSQDWESN-IEBWSBKVSA-N 460.600 2.874 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588030443 VNUJXZYGINVCAE-FQEVSTJZSA-N 457.600 2.820 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1588064833 QBDFQZXGGSVVLO-KRWDZBQOSA-N 476.027 2.848 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588069647 RXOQOLAMGYOWQO-FQEVSTJZSA-N 469.636 2.779 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cc(Cl)c2c(c1)OCCO2 1588659136 DNCOGCNMPFEOSU-UHFFFAOYSA-N 453.930 2.823 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1588812528 RVCIXOHHUKPLKY-NFBKMPQASA-N 453.587 2.712 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1588812542 RVCIXOHHUKPLKY-REWPJTCUSA-N 453.587 2.712 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1588865262 RCVYVAFKKOQJEI-GMAHTHKFSA-N 453.635 2.736 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1589048017 QSTORDKQRYWWHB-UHFFFAOYSA-N 453.547 2.576 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N(C)C)CCSC1 1589242834 LNBBJTZNCKTLSX-YADHBBJMSA-N 458.657 2.699 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCS(C)(=O)=O 1589556209 AXFAXQNHQYOVDP-SIKLNZKXSA-N 457.600 2.743 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1589663755 QHSVAYYMKOQQGB-FQEVSTJZSA-N 469.652 2.753 30 10 JFEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1593672032 YVOKNIHYTREYIE-IBGZPJMESA-N 452.603 2.785 30 10 JFEE 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2.837 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1689985919 FJVXZFUPHIKZRM-MRXNPFEDSA-N 450.992 2.898 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1689992864 QEMYKJJIUOYVGK-QFIPXVFZSA-N 484.601 2.538 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC[S@](=O)C(C)(C)C 1690004694 CEBZUBPMHLGDKA-MHZLTWQESA-N 450.406 2.666 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1690072861 XBXCYZZCKSTSEF-UHFFFAOYSA-N 475.597 2.783 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCN(C)C(C)(C)C1 1690075297 HFAMJMBLKDGYKW-UHFFFAOYSA-N 487.693 2.878 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690115640 NQLLMFNFKZLTBV-HOTGVXAUSA-N 480.432 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)C(=O)NCC)CC1 1690139453 NJZNOHMYKDBUMY-UHFFFAOYSA-N 464.614 2.636 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCSC2)CC1 1690150451 IESLGXRICLXAEI-KRWDZBQOSA-N 458.657 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1690154675 WGOKLDABZHEUQE-WMZHIEFXSA-N 495.624 2.991 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(O)cc2)CC1 1690219903 NKJZIYYRJGEFQK-MRXNPFEDSA-N 466.380 2.943 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1690226936 QTYUIKMKBKHTKW-IRXDYDNUSA-N 477.407 2.925 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1690240046 AVUCHYIVUNPQRH-FYYLOGMGSA-N 483.613 2.914 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1CCOCC1 1690255124 OHQXCVIWFOBSPS-DXBBTUNJSA-N 461.651 2.946 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690273241 JFABOLDLBAHOHA-LJQANCHMSA-N 458.994 2.596 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(CCO)CCOCC(F)(F)F 1690275975 BDIYSZOXDWTMEV-UHFFFAOYSA-N 466.302 3.000 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690339207 XGGCUEOYIWBVKR-UHFFFAOYSA-N 451.358 2.524 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCNC(=O)OC(C)(C)C)CC1 1690411785 UTVGNXRREBSFAF-SFHVURJKSA-N 467.636 2.888 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690461394 ZRJLIETWCCVHKX-SFHVURJKSA-N 484.626 2.952 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1COCCO1 1690615983 ZFXUMWDSEJJKJO-MRXNPFEDSA-N 467.364 2.770 30 10 JFEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690629355 SQDHAGUBLJLIAA-INIZCTEOSA-N 492.989 2.898 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690660505 ITAVHLFLUXRCBG-KRWDZBQOSA-N 488.564 2.917 30 10 JFEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690674666 APPRQXYXRSWESJ-HXUWFJFHSA-N 477.613 2.572 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1690724661 UAXXMNFFXQOCBH-QRVBRYPASA-N 452.621 2.557 30 10 JFEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)CC1 1691012734 HVUGHRDGKNZICE-MRXNPFEDSA-N 457.529 2.651 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCCCN2C2CC2)c1 1705507471 CFKOTFAMBZBOAY-JOCHJYFZSA-N 450.587 2.888 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705564660 DMVVEHFYAHWPEV-HKUYNNGSSA-N 479.647 2.723 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCCC1 1705576073 FCQACFJKCKMISU-QFIPXVFZSA-N 453.612 2.542 30 10 JFEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1ccc(-n2ccnc2C)nc1 1705585655 XVLAQYVDTGIIAQ-UHFFFAOYSA-N 451.534 2.910 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1705595113 GMPODJIBQFBFNA-UHFFFAOYSA-N 452.584 2.561 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCN(CC)CC1 1705601567 NKYGPMCJCFERJA-XMMPIXPASA-N 462.642 2.963 30 10 JFEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705616866 HXHAYPZCLUJUOJ-GGAORHGYSA-N 485.654 2.736 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2OCC[C@H]2C)n1 1705632163 WNKKECHPIRUBJE-YLJYHZDGSA-N 469.977 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1705646159 SXEIWMSWHXUCPG-QPPBQGQZSA-N 493.608 2.909 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705661226 WDLGQORRGRKENZ-NRFANRHFSA-N 477.638 2.941 30 10 JFEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705722438 LGHZLRXYAUBCFD-GOSISDBHSA-N 450.503 2.827 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ncccc2F)CC1 1705730791 OFIZLUSFKMRRAR-UHFFFAOYSA-N 480.548 2.769 30 10 JFEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705828184 FUKZKJKRZGGNMJ-UHFFFAOYSA-N 453.635 2.928 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ncccc2F)CC1 1705897443 MLDKQXRQCMQGET-QGZVFWFLSA-N 483.523 2.720 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)OC)C1 1705925166 LUCOQWQIVRHDSY-ZWKOTPCHSA-N 465.595 2.793 30 10 JFEE CCO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCC1 1710406905 GLECWDCQLBHNCH-OPYAIIAOSA-N 453.584 2.608 30 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1722369556 AWOWHACXHANQGG-GUDVDZBRSA-N 466.648 2.639 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(Cn2cccn2)c1 1722386851 NGFKJDMTZPATIP-UHFFFAOYSA-N 469.574 2.636 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722629479 SBRXVUWXLBAZPD-UHFFFAOYSA-N 476.622 2.829 30 10 JFEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1722631456 NNWRZVHPLKEXJH-NSHDSACASA-N 458.375 2.513 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1722705385 BXMNTZVAVMKFKX-HXUWFJFHSA-N 489.642 2.645 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)C1 1722715631 UQOYFEZECFTZSF-IRXDYDNUSA-N 498.575 2.555 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722743462 YWWBNLNMYVCUBT-UHFFFAOYSA-N 476.672 2.884 30 10 JFEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1723806214 BMFPSOPEMKZJCG-AEFFLSMTSA-N 484.557 2.906 30 10 JFEE CCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1727347125 GDUCGYBHPMLWJG-QHCPKHFHSA-N 490.605 2.844 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCc2cnn(C)c2)c2ccccc2c1=O 1728639909 HTFVXTMXMZPMBV-QGZVFWFLSA-N 459.558 2.780 30 10 JFEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1729297615 BMBFJASXYNXMPS-QHCPKHFHSA-N 492.672 2.717 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCN2CC)c1 1740564836 ZHHPMBLOXJTVND-IFMALSPDSA-N 450.587 2.713 30 10 JFEE C#CCCCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740578667 LHQZTXMBJVEMHA-QRVBRYPASA-N 458.607 2.815 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740617995 AIOLOESFKDFKSZ-LJQANCHMSA-N 493.427 2.927 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21 1740671199 AYIVQLOUYIDSQC-RLWLMLJZSA-N 481.597 2.880 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740720084 WJYQUEYONFRVBT-QGZVFWFLSA-N 481.544 2.749 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1740734570 JASJOVQTMXNGFM-JOCHJYFZSA-N 453.934 2.656 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740752321 VQUBVJZCINQLNP-FPOVZHCZSA-N 487.649 2.516 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1740795090 NULXCRJFOBZJFA-HBMCJLEFSA-N 455.584 2.516 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCCC1(C)C 1740938813 MSGMCUWVLVWVJI-HSZRJFAPSA-N 452.563 2.501 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1740958540 DGFODDAGFMINFX-DLBZAZTESA-N 491.687 2.651 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740971273 MBMVRIMEHUCBEE-OAQYLSRUSA-N 482.610 2.588 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 1743254122 HMJYOTLXDMCFRN-FXAWDEMLSA-N 491.562 2.999 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Br)cn2)CCO1 1743319045 AXNVKRKLMAOUEI-OAHLLOKOSA-N 472.347 2.613 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1745146265 GOPAXKRMUFWERG-UHFFFAOYSA-N 495.628 2.919 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748824172 KMTFAPMFNOASFA-INIZCTEOSA-N 486.516 2.835 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCn1c(C)nc2ccccc21 1748855576 CWNHDROXDYUXRF-UHFFFAOYSA-N 457.563 2.701 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSCC#C)CC1 1749003611 OZDWJZRYCMIFGP-UHFFFAOYSA-N 473.606 2.667 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCSC1 1749032556 LMQAMRDYIWSIMU-HNNXBMFYSA-N 450.659 2.546 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1749054232 QGKGLILVJPNSCX-NSXLHWASSA-N 472.659 2.746 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1749091587 AALBJZUKASXYEK-UHFFFAOYSA-N 461.364 2.856 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1749156029 PUFJBVHQRHOPEK-UHFFFAOYSA-N 476.622 2.654 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCN(C(C)=O)CC1 1749592696 USQJNWCMLCJDBH-UHFFFAOYSA-N 477.613 2.605 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1749599759 KJMNWVSIRQYFCU-CQSZACIVSA-N 489.461 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749723727 BYUVNLFQZFCLEI-SFHVURJKSA-N 494.061 2.889 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1749731730 JFGDDOIZGFQQOW-JOCHJYFZSA-N 487.670 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)OC2CCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749740593 WNHMPSPLKWDTEZ-CALCHBBNSA-N 483.635 2.960 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749754267 IVHVDRHBLAVXJX-HXUWFJFHSA-N 456.616 2.864 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@](C)(O)c1ccco1 1749829906 AVILQKNCJHWCJY-WMZHIEFXSA-N 453.499 2.658 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(C(N)=O)c1 1760113313 STZHNWKMIPEXJE-XLIONFOSSA-N 466.586 2.998 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(OC)c(OC)c1OC 1760175782 RBUAKVCPAWTSSG-UHFFFAOYSA-N 491.596 2.790 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760192460 UULDTJIDIMEXSP-SLFFLAALSA-N 472.611 2.929 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1760192611 WHSLWZPNMZAPKC-KRWDZBQOSA-N 490.992 2.607 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760208214 MWAWIJBLILPRDV-TXTKFYIRSA-N 476.629 2.770 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCc2noc(CC)n2)CC1 1760265393 ABPLGGVGMPJFHI-NRFANRHFSA-N 475.597 2.974 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccnc2OC2CCCC2)CC1 1760273431 UIBCCDCARXYRHT-UHFFFAOYSA-N 466.586 2.545 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760276046 RKEGVQKKYJPKLY-IBGZPJMESA-N 450.612 2.873 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NCC)CC1 1760317255 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453.587 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCn2cncn2)CC1 1286488208 WOVHEAZXKXXCPV-UHFFFAOYSA-N 460.586 2.500 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1286492846 JTVCWGMRHPPQSW-IBGZPJMESA-N 491.514 2.737 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1286495186 XJBVZEGXSFQACG-UNMCSNQZSA-N 455.628 2.957 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C 1286527613 FTXGOJHZUHIWRN-MUUNZHRXSA-N 491.684 2.940 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1286606395 OJQBZLDIWPXENL-HXUWFJFHSA-N 452.559 2.677 30 10 JFEE C=C(Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1 1286616704 BFSJLHWOIIUVMF-INIZCTEOSA-N 457.556 2.589 30 10 JFEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1286638544 FFCVWKSKLLTSMI-QHCPKHFHSA-N 460.600 2.680 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286675797 UCEJZRXBXRIQDT-HNNXBMFYSA-N 456.513 2.508 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286814923 ICRKWQZICLHJCY-FQEVSTJZSA-N 485.570 2.801 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)Cc1c[nH]c2ccccc12 1286818915 SPUCGVBYUUSESS-UHFFFAOYSA-N 451.556 2.844 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286822126 ZEBMRBGTPYWQPT-SFHVURJKSA-N 469.652 2.819 30 10 JFEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)o1 1289538545 FZAIHSMJIHKXCE-IBGZPJMESA-N 454.556 2.636 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1292054931 BNBVAUDTRHDXSV-NRFANRHFSA-N 451.547 2.505 30 10 JFEE CCN(CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1295805655 BTKMCSXZADSOTG-UHFFFAOYSA-N 487.630 2.559 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1300324421 DWQPDQSFFDAJQO-NTKDMRAZSA-N 471.627 2.532 30 10 JFEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(C)(C)OC)c1 1300388639 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C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507633438 SKSLIVHACSNCKJ-IPELMVKDSA-N 461.588 2.555 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1csc(C)n1 1507680367 FTNVJGHGNARRFN-UHFFFAOYSA-N 458.613 2.663 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cccn(CC)c2=O)CC1 1507719664 ADQONTXTYYSQOQ-LJQANCHMSA-N 464.545 2.542 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1507742742 OXXJZJHVSSXNTQ-LJQANCHMSA-N 476.556 2.836 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)=O)CC1 1507749017 SISYKLJBNBTEDZ-UHFFFAOYSA-N 454.419 2.804 30 10 JFEE C#CCSCCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507758957 WPCBPNKWPBTWQV-JPYJTQIMSA-N 479.647 2.789 30 10 JFEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507834845 VPVXQYMBSIMBGV-UHFFFAOYSA-N 456.566 2.707 30 10 JFEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1507867665 RYSZXRUDTXUWCF-UHFFFAOYSA-N 472.037 2.835 30 10 JFEE 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C[C@@]1(C#N)CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 1510288493 BJBRZTUVMVCIJC-UZLBHIALSA-N 464.448 2.599 30 10 JFEE Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1511939105 BTLPECWEBCLLRJ-MRXNPFEDSA-N 481.582 2.707 30 10 JFEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1514700435 DCWSVBRYQIRISX-CJFMBICVSA-N 468.602 2.845 30 10 JFEE CCCNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1515084314 DLYBFXJINLRKPP-NFBKMPQASA-N 494.644 2.706 30 10 JFEE CCN(CC)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1515477673 FDRNCPPNOLQMCZ-UHFFFAOYSA-N 452.563 2.704 30 10 JFEE CN(C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCSC1 1516987470 DFOKKPQZLPRZFB-RUZDIDTESA-N 496.685 2.884 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)(F)F 1519161172 HPVYHQUVJSYTMO-UHFFFAOYSA-N 489.296 2.753 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539149257 RJXNSXAZKAMVLI-BBTUJRGHSA-N 475.590 2.831 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539206506 QKLQZHUFOATBFV-XKGZKEIXSA-N 463.003 2.898 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1539233061 ZUGOEMJDELPQKU-PZJWPPBQSA-N 453.974 2.995 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1539470711 WOMNCPVAXKDYOG-OAQYLSRUSA-N 459.598 2.514 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1539483504 ZORMCIACJRNSFI-UHFFFAOYSA-N 463.504 2.934 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCC)CC1 1539616336 PUNJYLBTNIGVLB-CTNGQTDRSA-N 481.601 2.649 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539635448 GJJKFWKDRADRQO-XUZZJYLKSA-N 452.603 2.940 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539758558 OLIRFFAZNQIBRZ-QHCPKHFHSA-N 496.612 2.833 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1539775010 HUIXQWPWNXQDSA-INIZCTEOSA-N 450.946 2.568 30 10 JFEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCS(=O)(=O)C1 1540853149 OOBWIGBWDIPQCW-LJQANCHMSA-N 457.600 2.745 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540863309 TWOCZGSJHJMPSW-JENIJYKNSA-N 487.004 2.705 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 1540895381 QTLLAWFSFUSXIG-NHCUHLMSSA-N 456.566 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1540907642 CXTXNWLBNAGBCT-OAQYLSRUSA-N 474.627 2.613 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCOC2(CCC2)C1 1540908497 HXMIXUDNZPPYTP-UHFFFAOYSA-N 478.640 2.939 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540908732 MOZIALRJWRJGDB-USTZCAOPSA-N 499.703 2.980 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540908964 STJJIYIYDSTESC-MJGOQNOKSA-N 450.630 2.687 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cc(CO)nn1 1541972881 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477.656 2.933 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cc(C)oc2C)c1 1705504627 BYCJIYQCWILPNJ-SANMLTNESA-N 485.548 2.909 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CCOCC)c1 1705508401 URJIOWDWKFLVST-UHFFFAOYSA-N 457.538 2.609 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1705517638 ZVLACWOWMVWSTD-SFHVURJKSA-N 489.667 2.752 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1705563179 SAFADVPGQYATIA-INIZCTEOSA-N 457.556 2.807 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705571878 JZZPAFWEHFKRGR-YSTOQKLRSA-N 480.675 2.885 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCO2)CC1 1705644964 HSMMUAMDGWFLQL-PKOBYXMFSA-N 455.534 2.702 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1705648915 CXCPGDGDXQDESV-GOSISDBHSA-N 462.529 2.913 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1705652276 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C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)c1nccs1 1760521504 VCHZNGDQUFAYLH-CQSZACIVSA-N 464.555 2.593 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1760531811 ASXZLKXLEPHXSF-MRXNPFEDSA-N 485.386 2.971 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2=CCCOC2)C1 1760543256 OAXSCEUGOCXVBU-WOJBJXKFSA-N 475.590 2.715 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2F)C1 1760544413 ZFBDAVRQBIDYCN-DOTOQJQBSA-N 454.955 2.802 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccccc1OC 1760549124 WWTJVFFRXLKFMZ-LJQANCHMSA-N 496.593 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1760555406 FIGNKSXVUSKBMS-IBGZPJMESA-N 459.616 2.870 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 1763660011 BEAOEXJFDDHEIA-URXFXBBRSA-N 492.672 2.728 30 10 JFEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862634490 OQQFSQJDOCAZAZ-XTZNXHDOSA-N 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472.611 2.680 30 10 JFEE C[C@H](O)[C@H](NC(=O)CO/N=C1/C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@H]4O)[C@]2(C)CC1)C(=O)O 1076222551 OLTUSUQAQZSEMW-ZRXBSFIUSA-N 462.587 2.633 30 10 JFEE CC(=O)N/C(=C\c1cccs1)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1136200052 PDQYNVTZBXUBHJ-NDENLUEZSA-N 452.515 2.753 30 10 JFEE C#CCN1CCCN(C(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)CC1 1136863099 OUJPLEJBAJUKKZ-UHFFFAOYSA-N 456.266 2.830 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 1211963712 YQGLKVTXOSUOCB-IIBYNOLFSA-N 459.543 2.772 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3)CC2)cn1 1221287163 HKLHIESEFRVESB-UHFFFAOYSA-N 457.332 2.576 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1286294667 FCDHPEPNDCDZMI-OTWHNJEPSA-N 469.590 2.819 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1286391177 CTWRAJKMLVJGEL-UNMCSNQZSA-N 472.611 2.706 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1286424973 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C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccs1)N1CCOCC1 1301268408 KBVBGKJYGDVTID-QGZVFWFLSA-N 453.572 2.683 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccccc2)CC1 1301483685 UHPPVCBAYWVOEM-UHFFFAOYSA-N 470.375 2.665 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCCCO1 1301568897 LOXFVAALSVJZKZ-INIZCTEOSA-N 486.436 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301569024 NYJFEKXTQDXUPF-NRFANRHFSA-N 499.616 2.677 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2)C1 1301575151 CFZVZDSHRKTXCD-FQEVSTJZSA-N 474.587 2.519 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301589807 XPQMDSYLHGKBFF-OTWHNJEPSA-N 497.662 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC([C@@H]3CC3(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301596085 HMGVEBJEEXHRKT-GHTZIAJQSA-N 488.601 2.791 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1301967853 HSLZCRSTWTWGCL-WOJBJXKFSA-N 487.649 2.853 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1)C(F)(F)F 1303787712 CUZGPWRCQSMERE-INIZCTEOSA-N 458.492 2.866 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)cc1 1304380796 IOQBAVVCZOBUSB-GOSISDBHSA-N 457.552 2.650 30 10 JFEE CCn1cccc(Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCO[C@H](C#N)C2)c1=O 1313847018 DGXPCWPLWWWTGP-QGZVFWFLSA-N 499.369 2.675 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1358964765 GZEGGCSCHQBAJS-QGZVFWFLSA-N 490.680 2.889 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358968098 ZIGNACVVNDCFAY-NJDAHSKKSA-N 478.659 2.640 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cccnc1OCC 1358968241 DIVMLTDYGGSZIK-UHFFFAOYSA-N 462.941 2.776 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](Cc1ccccc1)OC 1358979080 BWXYCFQJEPUVIV-GOTSBHOMSA-N 493.608 2.917 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1358986446 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N#Cc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2(O)CCCC2)cc1 1521082402 FPOKARZHYKOVDU-KRWDZBQOSA-N 462.476 2.627 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1538983792 XTFGVGHQYRIBPN-CVEARBPZSA-N 461.588 2.720 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1538991723 CKUQRPXQJRILJK-LBPRGKRZSA-N 490.881 2.833 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC[C@H]2CCCCO2)c1 1539038892 WCXUYKIVWRJQKL-JOCHJYFZSA-N 478.597 2.920 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539140268 SEMBODOFBUNGSC-GMAHTHKFSA-N 494.640 2.658 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539211411 INLPKYKMYCJOOV-KKSFZXQISA-N 468.982 2.771 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539219438 JUMAWZMVGZHUTL-QGZVFWFLSA-N 452.502 2.680 30 10 JFEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539221855 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457.538 2.689 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCS(=O)(=O)C(C)(C)C)c1 1587697835 YUTKBZCBSKNGTK-UHFFFAOYSA-N 494.621 2.533 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OCc1ccccc12 1587707081 WDBAHUXFEUCKLL-GOSISDBHSA-N 457.600 2.718 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1587823476 RSKBCQPHDOXPAP-UHFFFAOYSA-N 495.605 2.934 30 10 JFEE C#CCCCn1c(N2CCC(NC(=O)c3cc(C)oc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1587893639 GOEOIOHJNSWQDM-RUZDIDTESA-N 469.586 2.952 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(N(C)C)CCSC1 1587985238 WXRPIRQLNWWBOF-QHCPKHFHSA-N 462.664 2.899 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1588228410 FRALPWXDSYHDAO-IBGZPJMESA-N 466.590 2.515 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCCN2CC)CC1 1588791570 ZXRPBUQKZJMELQ-FQEVSTJZSA-N 452.603 2.592 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCCC 1589151174 TYAJUEVLMUZJDB-CNNODRBYSA-N 450.653 2.535 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1589316876 IFMWVZQGICQHGH-INIZCTEOSA-N 496.431 2.610 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1589427312 HQGDGRGORZOAGG-UHFFFAOYSA-N 469.391 2.906 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnccn1 1589570388 URPOJDWTVXDMIH-OXJNMPFZSA-N 453.572 2.677 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1593703629 LGEIWQLMCOOWQK-UHFFFAOYSA-N 455.559 2.662 30 10 JFEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1594552247 JUUQGEXRQSHHOG-MLNNCEHLSA-N 474.627 2.985 30 10 JFEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1594807812 ZVZKSKZVTAZUGE-UHFFFAOYSA-N 493.612 2.887 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595234758 YKRUCMXDYOJNDC-NRFANRHFSA-N 468.627 2.800 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1595251896 YTEOHTTZSAPQEG-FQEVSTJZSA-N 454.575 2.850 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1OC 1595490267 OEWTVOPXXYKMCV-UHFFFAOYSA-N 473.375 2.993 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1595569693 NHMRIVGUCREWIR-GOSISDBHSA-N 469.977 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1595804558 CKKQBNPSKOHCDW-KRWDZBQOSA-N 455.625 2.525 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1595878213 KFYWTUQZIFNOKA-IBGZPJMESA-N 460.648 2.767 30 10 JFEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1595884678 QBAFTZBKKIMEIR-NYLDSWQDSA-N 476.691 2.518 30 10 JFEE C=CCn1c(SCC(=O)N2CCC[C@@H](Cc3nn[nH]n3)C2)nnc1-c1ccc(Cl)cc1 1595940928 GUSMOOCBLKDZSQ-AWEZNQCLSA-N 458.979 2.871 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 1603673649 GCEOCNQMFJNMFF-UHFFFAOYSA-N 493.637 2.663 30 10 JFEE C[C@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)CCO1 1612693752 AKXWRKIVYKRWGW-HKUYNNGSSA-N 473.599 2.557 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(C(F)(F)F)n1 1614028485 FSTPIDPGPYLWAT-CQSZACIVSA-N 457.464 2.679 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1S(=O)(=O)NCc1cccs1 1632228525 PGSPKWXSQADJJB-UHFFFAOYSA-N 454.595 2.705 30 10 JFEE CC(C)NC(=O)CSc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634583392 AHNBCJOJXYTKPZ-HXUWFJFHSA-N 450.564 2.706 30 10 JFEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)n1 1642949349 RSEVOKIQYNZENW-MRXNPFEDSA-N 458.584 2.576 30 10 JFEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)cc1 1667785710 HCPSQHGYJFWBDV-UHFFFAOYSA-N 457.556 2.608 30 10 JFEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 1668638613 SQEJXYVYTATREQ-UHFFFAOYSA-N 453.347 2.887 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)c1 1689872462 ZEFXYFDMDWGYEU-HOYKHHGWSA-N 465.579 2.807 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689978196 OSSPRIUCUNULEQ-FPOVZHCZSA-N 492.605 2.746 30 10 JFEE 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XMJPFINRIGSAPC-NRFANRHFSA-N 451.523 2.867 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC(C)C)NC(=O)OCC 1358884972 AGWCQXGLYGIGOY-MSOLQXFVSA-N 479.585 2.811 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1358903536 ASZCDPIZTAQGRV-UHFFFAOYSA-N 469.634 2.918 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1358904199 YSVRJGRDHFTIDY-UHFFFAOYSA-N 463.586 2.958 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1coc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1358963763 NQLQDGODZVAGKT-HXUWFJFHSA-N 453.568 2.807 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358965271 RGSMKEHIDWESQU-LAUBAEHRSA-N 476.046 2.632 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358967355 IYYVRRNQEMUUJH-SRHPJPHMSA-N 478.659 2.639 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCCC2)CC1 1359042013 OKMMHNQPVVSBJN-UHFFFAOYSA-N 486.567 2.998 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1359044675 LRPLUFLPNYJXIC-QFIPXVFZSA-N 492.624 2.781 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359060114 KQHBJPUJQBQHQG-LJQANCHMSA-N 462.641 2.854 30 10 JFEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359119215 CDCZOTONWIICSE-APWZRJJASA-N 465.562 2.846 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CCOC)C1 1359131471 VDDZRYFUPNUWMR-GOSISDBHSA-N 452.559 2.648 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl)C1CC1 1359251564 OQKVULWPPIXFEO-GOSISDBHSA-N 469.970 2.607 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(C(N)=O)CCOCC1 1359278816 HVUNMYZGOMPTIA-UHFFFAOYSA-N 496.381 2.768 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359297522 SXXXIHNMOJHICW-IBGZPJMESA-N 472.037 2.505 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(O)cc1 1359334355 CLKSZVNRISLMAP-NRFANRHFSA-N 470.599 2.788 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359343569 WHAWXDNEGSESRQ-YPAWHYETSA-N 490.718 2.718 30 10 JFEE C=CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(=O)OC 1457774453 KAEYFANSZILVQG-GOSISDBHSA-N 452.916 2.615 30 10 JFEE C#CCN(C)CCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 1468545313 HDBKGVNPKSLFSQ-UHFFFAOYSA-N 458.540 2.697 30 10 JFEE CCCn1c(CCC(=O)NCc2ccc(C#N)c(Cl)c2)nc2cc(S(N)(=O)=O)ccc21 1472550610 AGEIHEFDJROVAX-UHFFFAOYSA-N 459.959 2.868 30 10 JFEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1478095286 GTDTWIIRCLRGDO-GVDBMIGSSA-N 453.584 2.984 30 10 JFEE COc1ccccc1N1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)C1 1504423260 FFANGPQEZZCAEO-LJQANCHMSA-N 451.575 2.691 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(C)(=O)=O 1504883313 HKQRFZAQWSXVDJ-UHFFFAOYSA-N 490.811 2.772 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@](C)(CC)O2)c1 1507545805 BHHDZAXHUVFPLJ-CPJSRVTESA-N 466.586 2.820 30 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C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC2(O)CCC2)CC1 1507741290 YRVDXUKIJJZMFK-UHFFFAOYSA-N 465.598 2.745 30 10 JFEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1507755651 VVVKBKITGIWBHI-UHFFFAOYSA-N 473.668 2.954 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccnn2)CC1 1507781226 RSEJEZTYEFTIEN-UHFFFAOYSA-N 456.348 2.979 30 10 JFEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1507981629 DVFNTGHHOAMENW-UHFFFAOYSA-N 452.631 2.604 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1508017647 UEDYZAFLPMKKGD-YADHBBJMSA-N 450.587 2.790 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1508034502 WBIHBVNAPQBZIM-GOSISDBHSA-N 458.563 2.924 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1508091802 NSGRLLPEAGKODI-SFHVURJKSA-N 468.631 2.845 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508149518 AWDSZIXXZWDQKP-OAHLLOKOSA-N 480.436 2.995 30 10 JFEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCCS1 1510353795 CRMSHXZGZFFMOB-GHTZIAJQSA-N 461.613 2.638 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1513168935 DBWMDSKOOHIQED-HIFRSBDPSA-N 479.354 2.880 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cccn2)CC1)S(C)(=O)=O 1515706092 GZTUDNBEIXJEOO-UHFFFAOYSA-N 496.641 2.601 30 10 JFEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCSC1 1517187287 DADQTBIDRVYPFE-JOCHJYFZSA-N 487.584 2.747 30 10 JFEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1517731286 CBXIBHYPVUPYPT-SFTDATJTSA-N 493.656 2.868 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1539049414 NKNJWNRQJKNDLE-WMZHIEFXSA-N 453.587 2.923 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1539084760 CBUSXWBDWGOSHZ-FHWLQOOXSA-N 458.563 2.890 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1OCCC1(C)C 1539312291 NTAGHYKYNGYLTE-IBGZPJMESA-N 454.600 2.516 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1539315398 LKFQKTAJRWLJLS-UHFFFAOYSA-N 497.559 2.608 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCO[C@@H]2CCOC2)CC1 1539429834 DUARPTIOUBIIAZ-DHIUTWEWSA-N 467.614 2.986 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C2CCCC2)CC1 1539469526 BKQFZQAHGSAZEI-UHFFFAOYSA-N 459.598 2.657 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539497098 KAHIHUVBMDCIEU-HZPDHXFCSA-N 452.577 2.547 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1539499969 SWARWIKGSHBXEC-IFMALSPDSA-N 450.612 2.730 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539500693 ZZQDMSKQZKIKRD-UHFFFAOYSA-N 485.411 2.730 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1539623667 NMEUTKHCNAUZQF-UGKGYDQZSA-N 469.586 2.906 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1539931638 NHVZLNCGHSKJFF-FQEVSTJZSA-N 488.658 2.636 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1539960992 MAXTWLVYESMTDJ-UHFFFAOYSA-N 463.586 2.997 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1540007230 ZOERRQNZJAHKGV-AZUAARDMSA-N 494.687 2.522 30 10 JFEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540020398 JBROEYYJSBPLDC-HXUWFJFHSA-N 475.615 2.551 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1540063990 HYIKQKXWZUBQLO-UHFFFAOYSA-N 465.558 2.681 30 10 JFEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1540101696 LXETWVSASIBIED-IBGZPJMESA-N 457.383 2.956 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)OCC)CC1 1540863263 SCNCUAHTBLOLPR-IBGZPJMESA-N 470.574 2.616 30 10 JFEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1541168523 BJLUFZOTOYYMCI-IRFCIJBXSA-N 487.626 2.919 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 1542252525 IFBVLJDTNRHWOP-OAHLLOKOSA-N 454.483 2.868 30 10 JFEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(c3ccccc3C#N)CC2)CC1 1546125441 DZJZFTSVNCALQX-SFHVURJKSA-N 471.631 2.667 30 10 JFEE C=CCC(C)(C)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1557166820 MTVNMMDZWPCELD-UHFFFAOYSA-N 452.577 2.876 30 10 JFEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1587864775 ANOGUZUGFHPSLO-UHFFFAOYSA-N 455.006 2.680 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccsc1)N(C)C 1588219578 WBZHGVDLYSXRTP-IBGZPJMESA-N 450.568 2.833 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C(C)C)N1CCOCC1 1588251731 XGCAARMELDRHFL-XMMPIXPASA-N 460.582 2.548 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1588398177 BCTUAHIRTNBWRP-FQEVSTJZSA-N 492.584 2.879 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588612785 LNRXPXZTVDYITC-PMACEKPBSA-N 483.613 2.690 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1589134791 PRXHXDHLTYVEJT-FHWLQOOXSA-N 479.647 2.814 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2cc(CO)nn2)CC1 1594218631 NBRPEJITOVFQOL-UHFFFAOYSA-N 453.547 2.539 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1594497626 KROIKKJYNKYOFG-GOSISDBHSA-N 463.648 2.764 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 1595046318 MTOVUSNIMSGAEM-SBHAEUEKSA-N 452.555 2.709 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1595399225 SQSJZQVDBMLTDM-GOSISDBHSA-N 496.678 2.877 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1595593426 DITLBAXALFBJGP-MOPGFXCFSA-N 455.559 2.563 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595664519 FWRKFEKZYWBIFH-VWPQPMDRSA-N 490.626 2.629 30 10 JFEE C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)o2)cc1 1613612266 ZETKYAMGNCHMRN-DOTOQJQBSA-N 451.570 2.721 30 10 JFEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N(CC)CCS(C)(=O)=O)s1 1613832372 HGJPANNAIFBAAD-UHFFFAOYSA-N 458.613 2.949 30 10 JFEE C=CCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC)cc1 1623598526 YCOXEUPUWJTPLU-UHFFFAOYSA-N 459.568 2.885 30 10 JFEE N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CCO2)c1 1624488867 FRBBIHYIJPURCS-QFIPXVFZSA-N 451.504 2.843 30 10 JFEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCNC(=O)NC 1627221076 VWKIXTHGAYTUGD-JOCHJYFZSA-N 450.539 2.905 30 10 JFEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)cn1 1640012867 PCSHXWQXJRICQM-UHFFFAOYSA-N 452.536 2.588 30 10 JFEE C#CC[C@@H]1CCCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1643533451 SZFAVPZBIKHVIT-RBUKOAKNSA-N 454.596 2.807 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 1654395071 GTRWJRCMSVZMCF-LVXARBLLSA-N 450.583 2.899 30 10 JFEE C#CCN(C(=O)Nc1ccc(I)cc1Cl)[C@H]1CCS(=O)(=O)C1 1657772182 ZRMFAXBRLPRJAP-NSHDSACASA-N 452.701 2.599 30 10 JFEE C=CCOc1c(Cl)cc(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1OC 1663713035 FOHYLHKXTAGKKD-UHFFFAOYSA-N 459.978 2.862 30 10 JFEE COC(=O)[C@](C)(NS(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(Br)c1 1664390077 HWKMDBYCCUDKML-GOSISDBHSA-N 455.305 2.968 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1oc(CC)nc1C 1689853058 ONXXUUOIYWJABD-NVXWUHKLSA-N 458.563 2.952 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C(=O)NCC)c1 1689949215 VAGKEZSOHDEIBZ-UHFFFAOYSA-N 455.360 2.914 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689983630 DHICZDXOGVLLOI-GEFUHLBYSA-N 476.668 2.681 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1689989900 JMSAHZAHTLODBP-SFTDATJTSA-N 472.611 2.634 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1Cl 1690072314 CKHQIIPNQUHIEK-UHFFFAOYSA-N 463.929 2.779 30 10 JFEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1690131439 ZUJDLYCWMFKXSB-UHFFFAOYSA-N 452.578 2.644 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1690132115 IBUXKSCCPOPAPQ-NBGIEHNGSA-N 483.686 2.535 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1690205038 YVGQSXWKVIZCDK-MKTUGGFXSA-N 473.618 2.925 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCS(C)(=O)=O 1690236245 KEOLCRIKZBVLDI-QUCCMNQESA-N 475.615 2.609 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690303479 ZLFXNVJDQARMTM-HZPDHXFCSA-N 466.336 2.753 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690307315 WPIHTOJNCOPQOS-WMZHIEFXSA-N 470.593 2.666 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2C(F)(F)F)CC1 1690375187 CLGKLTHOTQGSSW-SFHVURJKSA-N 485.532 2.835 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCOC[C@@H](C2CCC2)C1 1690675849 HKXVQVBXOSXFRE-NRFANRHFSA-N 453.587 2.975 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1690683086 BCRPEHDYZNBZJK-PMACEKPBSA-N 460.600 2.799 30 10 JFEE C=CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690753031 YGSXMBSWPWIZGQ-SAHWJRBASA-N 492.646 2.999 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N1CCOCC1 1690995084 CLCRCBGDKTXWGS-DLBZAZTESA-N 456.616 2.976 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1705492032 KSZXCUTUEMOFFI-AZUAARDMSA-N 496.612 2.763 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCC[C@@H]2CC)c1 1705504692 CRAGOJCCRXYXPG-VXKWHMMOSA-N 477.613 2.550 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1705595678 BLKBKUMUBWQSJY-AREMUKBSSA-N 474.565 2.504 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CCCO)CC1 1705658955 GTELOFKHEMYMDZ-UHFFFAOYSA-N 452.584 2.949 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCOCCOC 1705672119 LJCBNCWZBGSWAS-RUZDIDTESA-N 464.570 2.627 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705732057 MDKFJSFYWWLLHT-QGZVFWFLSA-N 475.391 2.823 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705827615 LTKBARKXBNQKBQ-INIZCTEOSA-N 491.390 2.523 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705864808 AANGUHVZXTUIFM-KRWDZBQOSA-N 460.629 2.819 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1705914801 FOACSXOSUATKRD-FUHIMQAGSA-N 464.563 2.773 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H]2COCCO2)C1 1705927545 AMVMDEAVZKCYNN-WCIQWLHISA-N 477.606 2.636 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCCC2(CCOCC2)C1 1705938069 MBDJJRHNCKFXRS-UHFFFAOYSA-N 490.626 2.864 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(O)c2)C1 1706157898 GKZNTIJVDPYDGM-UYAOXDASSA-N 468.558 2.875 30 10 JFEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1707009099 CHSXDZBYCYKMGP-GOSISDBHSA-N 454.556 2.636 30 10 JFEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1CCN(CCN(C)C)CC1 1709126600 BILYOKDXJJPXRW-UHFFFAOYSA-N 464.662 2.702 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1710729332 ARQKHZRHKYRAFT-LJQANCHMSA-N 483.665 2.565 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCN(CC)CC1 1722395034 NTDBZRPWGKKDNT-IBGZPJMESA-N 486.462 2.535 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NCC 1722428228 CQDFUUZJCZRDKN-LJQANCHMSA-N 490.649 2.641 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2noc(CC)n2)CC1 1722433360 SLZYUEUGIKUBPY-UHFFFAOYSA-N 488.365 2.790 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CCOCC2)CC1 1722442902 HKENDVRDAKWYOP-UHFFFAOYSA-N 457.600 2.725 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2ncc(CC)s2)CC1 1722445237 MXMPILKIAIGZCA-UHFFFAOYSA-N 451.600 2.511 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2occc2C)CC1 1722450820 RSVQTMFGBLDAPO-UHFFFAOYSA-N 463.538 2.781 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722454444 LAAZULGOGATSSI-UHFFFAOYSA-N 456.572 2.914 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722488493 HIHSBGSALWHEQN-FXAWDEMLSA-N 481.395 2.539 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722530491 UPUXNVWEYIHPTH-VWLOTQADSA-N 493.656 2.641 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1)c1ccccc1 1722541261 WFCVUTVJXDXKPJ-SFTDATJTSA-N 459.616 2.807 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)N1CCCC1 1722632419 SLAMTPMULXRPQL-OAQYLSRUSA-N 460.648 2.938 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722683533 UCPRNQZLSGZSQD-UHFFFAOYSA-N 488.017 2.756 30 10 JFEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722683683 WAXMTHFHBQRCIJ-QGZVFWFLSA-N 460.529 2.865 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722688477 CRRZJYUAYUVJKQ-QGZVFWFLSA-N 487.004 2.822 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1722703261 XMNPRFPLQJKHLW-SFHVURJKSA-N 455.559 2.590 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)C(C)C)C1 1722717402 ARBRQPIQUQDEHF-YKSBVNFPSA-N 455.607 2.640 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCC2(CCOCC2)C1 1722729424 KJJGYWWOLYYBEE-UHFFFAOYSA-N 474.627 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722731432 KSVDPXBHGCKDLW-GOSISDBHSA-N 488.532 2.842 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1727874748 HXXUPNGJMWGBDW-FPOVZHCZSA-N 484.626 2.527 30 10 JFEE CCCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c(C)n1 1728069879 DODGQQQLSLVSOW-XMSQKQJNSA-N 459.620 2.664 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccsc1Br 1729544109 CLIXHDARGBKASB-UHFFFAOYSA-N 495.428 2.674 30 10 JFEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1729733087 CSHVRHYASSHPLU-FQRUVTKNSA-N 494.644 2.701 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1740539311 OFOPGKWSNJPDMF-ZWKOTPCHSA-N 454.644 2.753 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1740545944 DSXGOEBCWLYOJC-KRWDZBQOSA-N 461.570 2.753 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740551757 MVMWBCXBUCAFMA-QIJZPMMNSA-N 466.586 2.746 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)nc2)c1 1740564285 IDPLDMSOAHBPCD-UHFFFAOYSA-N 480.576 2.829 30 10 JFEE C#CCN(c1nnc(-c2ccc(COc3ccccc3)o2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1740619250 HAGHKHIUDNAIHV-GOSISDBHSA-N 452.536 2.930 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCCN1CCN(c2ccncc2)CC1 1740641761 OVYQYFKFVHFTJF-UHFFFAOYSA-N 467.621 2.857 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1740700096 FWYHYUZWWOXRIU-HXUWFJFHSA-N 498.628 2.876 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(F)cc2C)CC1 1740701219 YQGMZKLLRUBYNZ-UHFFFAOYSA-N 482.604 2.853 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740716369 WZLVYQHJIYHPBJ-ZWKOTPCHSA-N 475.688 2.524 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740717632 XJKGBOWIEAGSHY-KEYYUXOJSA-N 463.456 2.567 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740720546 CLEGRNSLANHFMX-SFHVURJKSA-N 453.641 2.970 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(CC)s1 1740726814 PHKIAUAGEUJSMN-JOCHJYFZSA-N 485.639 2.650 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1740750378 PMSDOAVRXXBRAM-CTNGQTDRSA-N 487.626 2.535 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1F 1740750482 CGZRJLYDUVXZNL-WDYCEAGBSA-N 451.568 2.645 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1740861897 CVBXHWQLWGPUSA-ROUUACIJSA-N 452.559 2.788 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1740914313 OYZIKWJDANNDQC-IFMALSPDSA-N 466.586 2.689 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1740955172 XVEGGNBHSSRDAF-HSZRJFAPSA-N 455.946 2.986 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](COC(C)C)C1 1740956070 GBRKAOVNTJZZNK-KRWDZBQOSA-N 463.966 2.540 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1740995176 CNSYDOGIKQBSJC-QGZVFWFLSA-N 450.653 2.714 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1740995530 OUJMPLJCYUDLNA-RTBURBONSA-N 468.526 2.587 30 10 JFEE CC(=O)N1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1741065164 VXWISJBZWDDXBU-RYQLBKOJSA-N 483.573 2.619 30 10 JFEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C(C)C 1741617598 DKPGEZLHBYTDOU-NRFANRHFSA-N 487.674 2.701 30 10 JFEE C[C@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 1743093613 AJSRAWRCNQUBEU-RBBKRZOGSA-N 499.685 2.656 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1743889022 CMIHRFHTRKUPSO-MHPIHPPYSA-N 466.586 2.896 30 10 JFEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1744404035 CIEDVHDTWUEEJK-NRFANRHFSA-N 466.586 2.941 30 10 JFEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1745880317 HQNCRHYGTYAVCS-UHFFFAOYSA-N 486.580 2.854 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(Br)s2)CCOC1 1746732802 BMPNDDIEWLBYQG-IFXJQAMLSA-N 482.404 2.726 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1748132045 AQXVIHMEDTWZTE-LJKQEARRSA-N 479.629 2.667 30 10 JFEE COc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCS(C)(=O)=O)cc(OC)c1OC 1748521451 DSFUMTXENUZZSS-JOCHJYFZSA-N 477.587 2.536 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCOCCS(C)(=O)=O 1748647944 VMACTYXTTBTGIR-INIZCTEOSA-N 473.624 2.896 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1748735570 RAPBKWVGEWUXLM-UHFFFAOYSA-N 483.554 2.708 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748811371 FQHFIGNRUIBWCV-GGUMNFRJSA-N 469.611 2.850 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1748820091 YYXRRJBZKUJPON-HXUWFJFHSA-N 489.523 2.958 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1748940660 PFTIQHJPUFUVPI-PZJWPPBQSA-N 490.649 2.788 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2COCCC)CC1 1748994665 MEJGBQRMDTWOJL-UHFFFAOYSA-N 461.614 2.870 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749020427 SJPAVLHCWLXUTI-HXUWFJFHSA-N 481.626 2.554 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1749090699 RMNOICCWXSLDBI-GJZGRUSLSA-N 453.362 2.625 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749127639 NKNDQUJKTMSGJW-MJGOQNOKSA-N 457.579 2.717 30 10 JFEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749447563 GSMTWGZJDZMMDO-VWLOTQADSA-N 466.586 2.915 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1749663397 CXOPMHLUHWJCMR-UHFFFAOYSA-N 473.368 2.671 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](CN2CCCCC2)C1 1749672576 YTZCAEYXMHFOFA-GOSISDBHSA-N 458.557 2.762 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)CC(F)(F)F)C1 1749696882 XVWRBROJTUDRGK-QGZVFWFLSA-N 487.548 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749724876 OJSFQVMMRVMQNH-KRWDZBQOSA-N 463.585 2.790 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1749732583 ZTLWLGQKEPDRBW-KRWDZBQOSA-N 453.609 2.640 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C1 1749803269 GABWWTKZNJZSOL-QFIPXVFZSA-N 465.602 2.519 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1CC1(C(N)=O)CCOCC1 1749806194 HEJUITRZRHCKED-UHFFFAOYSA-N 466.586 2.742 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760108294 DLKLDUGKGYTHIQ-KRWDZBQOSA-N 450.543 2.666 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)C2CC2)c1 1760127560 DFSIKWHHNVAGHF-IBGZPJMESA-N 457.582 2.803 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1760187657 XPSHPZZHQVSZKE-INIZCTEOSA-N 468.595 2.917 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760191118 AYPMOCKQOORFPP-PXDATVDWSA-N 486.638 2.916 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCCCC1=O 1760205917 MYJWOSIRIQJIAC-UHFFFAOYSA-N 482.629 2.868 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(C)C)CC1 1760260215 WYLJXHPDGSXTKR-UHFFFAOYSA-N 450.635 2.890 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760314350 VMIHHCKGYHUWFQ-ROUUACIJSA-N 492.422 2.644 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1760346067 GSGQVIOUAUFPPM-UYAOXDASSA-N 459.616 2.648 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](COC)C1 1760354059 NBXZXSMSDMSBMY-IBGZPJMESA-N 452.563 2.766 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(C(C)=O)CC1 1760432745 SUELCLQQFBDPMT-UHFFFAOYSA-N 459.620 2.571 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1 1760481026 LLDDZDKJAWIUBP-IBGZPJMESA-N 456.572 2.697 30 10 JFEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760512360 CEWWRVJJCBKYAE-IRLDBZIGSA-N 477.613 2.732 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1760520778 ZLPWYYHWXJLJSG-IBGZPJMESA-N 485.386 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cnn(C)c1C 1760553063 KMCFDPSIIQWFJL-UHFFFAOYSA-N 465.583 2.772 30 10 JFEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760569713 YHXCQTICXUGIJQ-OAQYLSRUSA-N 484.626 2.851 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1761262803 CGLAMTGPANYPMQ-WOJBJXKFSA-N 479.629 2.667 30 10 JFEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1766879869 AYGVZLKSHNWLCE-LADGPHEKSA-N 493.656 2.868 30 10 JFEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3ccc(CS(C)(=O)=O)o3)nc12 1859763528 QZPCOMPVZFETHW-UHFFFAOYSA-N 465.491 2.999 30 10 JFEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862630110 MTPLXNIYZZWCEW-FQEVSTJZSA-N 453.451 2.854 30 10 JFEE CCOc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)c1 1862739640 CWLNJLXYPNXVJP-JOCHJYFZSA-N 481.505 2.904 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@@H]2CO)=C(N)Oc2c1c(CC)nn2CC 1865226310 WBXLXGLIOWSSSN-OXQOHEQNSA-N 452.555 2.708 30 10 JFEE CSCC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867607121 WDDVZSKUWPLGPK-UXHICEINSA-N 474.608 2.599 30 10 JFEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CC)CCCC)nn1[C@H]1CCS(=O)(=O)C1 1869985154 HVHLQIKWSLTQMS-SFHVURJKSA-N 491.614 2.846 30 10 JFEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1c(F)cccc1Cl)N1C(=O)c2ccccc2C1=O 1870107131 UNEGYVUPRBYNHC-LLVKDONJSA-N 452.833 2.614 30 10 JFEE 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C#CC[C@]1(C(=O)NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)CCCN1C(=O)OC(C)(C)C 1277221751 NBEWYFDUZVLRKV-UQBPGWFLSA-N 459.562 2.948 30 10 JFEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286325408 ZFJMHXWOEKBDJP-FQEVSTJZSA-N 489.624 2.984 30 10 JFEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286333460 HXTSAMMZYWRULQ-NRFANRHFSA-N 471.627 2.707 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccnc(C(F)(F)F)c1 1286375084 UBIYSQAIJNEPKT-UHFFFAOYSA-N 456.476 2.984 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[S@](=O)C(C)(C)C 1286405122 ZWWFDVKROPLLKD-YTTGMZPUSA-N 458.584 2.591 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCOc2ncccc2Cl)CC1 1286483180 AHENLRGNGTZLBC-UHFFFAOYSA-N 450.974 2.946 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C(C)=O)CC1 1286516066 VLDRGPZYYKLZSF-HSZRJFAPSA-N 485.430 2.864 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(=O)(=O)CC 1286557114 HEKGATRPCWPXKF-IERDGZPVSA-N 468.570 2.999 30 10 JFEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286606188 IYAUBIXBPFKHJQ-UHFFFAOYSA-N 494.600 2.770 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nncn2CC)CC1 1286663923 RMAPWENAJUGEJH-SFHVURJKSA-N 472.594 2.649 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286791979 IYQJZCZRJZTJKR-HXUWFJFHSA-N 468.602 2.517 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1286819210 DIUAGRVYOOSEDK-UHFFFAOYSA-N 463.579 2.621 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1nnc2n1CCCCC2 1287602138 CSPWYPFQFFGTPZ-UHFFFAOYSA-N 453.595 2.533 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1288518012 HUBHCUKZYRJDMW-NJYVYQBISA-N 489.665 2.978 30 10 JFEE COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1296165449 ALQOPTQAQBVOFE-UKRRQHHQSA-N 452.305 2.725 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC2CCOCC2)c1 1298964189 IBFKGDHXSPTBRE-GOSISDBHSA-N 489.580 2.636 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(CC)CC)N1CCOCC1 1300304529 PAVWKYLGKAOPKM-WMZHIEFXSA-N 491.640 2.787 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H](C(C)C)N2CCOCC2)c1 1300332858 PZBOMSMHTKSZKW-JOCHJYFZSA-N 450.587 2.569 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(F)(F)Br)c1 1300332867 QBLPTHMVQBIMKY-UHFFFAOYSA-N 476.285 2.779 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)(F)F)CC1 1300344931 LSGINNGZKLCQDJ-UHFFFAOYSA-N 469.533 2.836 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300497950 FIWFRZJHTSFGRG-FQEVSTJZSA-N 485.997 2.623 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1300506324 QPBHYYHBVPPWLD-UFYCRDLUSA-N 464.632 2.599 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCCC)CC1 1300685424 NIDJCDIIOYORKW-UHFFFAOYSA-N 459.598 2.634 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1300696162 UQXRETXWOTWVSK-UHFFFAOYSA-N 457.460 2.566 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300732170 YKSSXXOZEGRVJY-NRFANRHFSA-N 494.665 2.759 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300786179 FDWQEFBCUWBXAL-BWAGFHJFSA-N 485.551 2.574 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1300864145 ZELWZNQJTYWDHX-VXGBXAGGSA-N 452.275 2.543 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300946306 YEEXQBLEIIEZBY-UHFFFAOYSA-N 465.558 2.825 30 10 JFEE C=C(C)Cn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1300964999 BCYONYANGLCRRE-RUZDIDTESA-N 454.619 2.765 30 10 JFEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301155697 RXCBZJPTRQOGEY-UHFFFAOYSA-N 478.641 2.937 30 10 JFEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1301208118 OHAROCIDQKQPOR-UHFFFAOYSA-N 456.410 2.968 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1301240674 FPNNOZMHYFBLPY-RDJZCZTQSA-N 468.396 2.879 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnc(C)s1 1301341882 WCESSUBBVYDDLO-HNNXBMFYSA-N 471.612 2.766 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CN(CC)CC)C1 1301482725 BCIGRNMGNDEVNI-OAHLLOKOSA-N 464.412 2.506 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1301510668 ZSIGSLIMRQNUKZ-UHFFFAOYSA-N 463.586 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C(=O)NC 1301575707 JTOCZUHOIGHATL-INIZCTEOSA-N 479.672 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1301578098 YBAKSKKZNGZQGR-JOCHJYFZSA-N 478.640 2.897 30 10 JFEE CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1302239824 GYPIXFKWOOLBQW-FQEVSTJZSA-N 468.558 2.726 30 10 JFEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1304716988 HCSXZXSQZHYOHB-UHFFFAOYSA-N 464.484 2.651 30 10 JFEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)C1 1314237651 DBBXKFCXOPPAGQ-SCCNAQOGSA-N 453.543 2.933 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1358903980 PYHGBQBDIKPHJZ-FGZHOGPDSA-N 478.645 2.724 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1358906465 IMKAPEPUHNYGAE-SFHVURJKSA-N 485.532 2.766 30 10 JFEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1358912695 WRGHARDDPPWHNY-JOCHJYFZSA-N 456.635 2.500 30 10 JFEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358921931 NTQIBOPVFMHCJN-KRWDZBQOSA-N 489.349 2.733 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358957345 SURNRVUGQKCKRL-JKSUJKDBSA-N 451.980 2.546 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1359016002 LWXMDLVXTATEMA-BKMJKUGQSA-N 483.588 2.968 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)C(C)C 1359023445 KXHRTAGOGIULGG-RUZDIDTESA-N 466.586 2.729 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359026742 JKDJBPHIVGUJNB-KIFXHHALSA-N 496.656 2.951 30 10 JFEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC[S@](=O)C(C)(C)C)CC1 1359038495 YJQDEZJUFUSLDO-YTTGMZPUSA-N 452.628 2.584 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(OC)CCOC2)CC1 1359039027 UDYIALGBSTYLLB-AREMUKBSSA-N 467.614 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCO[C@@H](C)C2)CC1 1359046102 DZBAVYSKKXWJGW-OALUTQOASA-N 453.562 2.789 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359082185 BIYRTIPDOYSXFZ-MLGOLLRUSA-N 466.302 2.668 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1359113772 QFSAYRLAXHADIW-PZJWPPBQSA-N 487.626 2.748 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359126156 HELFAERQHQBYDF-DEOSSOPVSA-N 466.517 2.755 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359152111 MSJNHVBAYVSZQC-AWEZNQCLSA-N 459.950 2.665 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359209545 QNHLJHYCYUOIJY-UHFFFAOYSA-N 459.352 2.589 30 10 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C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1705870135 NIBLKQFPVWQEOJ-BZSNNMDCSA-N 482.651 2.712 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(F)c1 1705903002 OIOREUGEZWSVMJ-UHFFFAOYSA-N 464.549 2.530 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705931373 NUVFIPRDDJGJRR-LJQANCHMSA-N 490.626 2.816 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1705939238 VECYZJSLTUJHNQ-WOJBJXKFSA-N 495.690 2.539 30 10 JFEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCN(C)C(C)C)C[C@@H]2C)CC1 1706001301 QRFFLFPVWBHRDY-SQJMNOBHSA-N 492.672 2.536 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1cccc(C(F)(F)F)n1 1722305501 IBFXOBBQIDLDCR-MPGHIAIKSA-N 453.465 2.953 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1722369190 VUVWQEZPPFDAQJ-TZIWHRDSSA-N 488.610 2.602 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1722369602 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C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O)C1CC1 1740911291 ZCONVVZIKACRIY-FQEVSTJZSA-N 484.601 2.971 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740943641 CGSNCAMHJDQGDE-UHFFFAOYSA-N 484.420 2.668 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cccs1 1740985278 FLRFMEIGEZBYSP-HNNXBMFYSA-N 460.585 2.785 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740989379 LGVDAVWHJDSMAD-SFHVURJKSA-N 456.572 2.930 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3ccccc3[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1740994784 XBBFWUIGWXCXIO-FDDCHVKYSA-N 460.600 2.655 30 10 JFEE CC(=O)Nc1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)cc1 1741065540 CBHGUCPZHCHLDZ-GOSISDBHSA-N 484.358 2.966 30 10 JFEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1741693138 HLFKAPCJQNOMAH-OALUTQOASA-N 467.618 2.665 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)C1 1741987449 CMVIEBHECZCYNR-QFIPXVFZSA-N 461.563 2.951 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(Cc2ccccc2)CC1 1744035896 GMWYMNAZNHZWFK-UHFFFAOYSA-N 492.672 2.754 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1748698092 QMQKIMMGBZAHCO-UHFFFAOYSA-N 452.588 2.551 30 10 JFEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1Br 1748746488 DOIXHFRWIXNGGD-ZBFHGGJFSA-N 496.431 2.790 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748807993 FUCOCYBVLNLNIL-INIZCTEOSA-N 499.406 2.898 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1748817287 HWBQVQQQTFUPAZ-ZWKOTPCHSA-N 498.527 2.550 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2ccccc2)CC1 1748891683 DCGHCAMJOAAZHV-DEOSSOPVSA-N 479.650 2.555 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748960863 PQAABRDNJNMRPA-AABGKKOBSA-N 459.591 2.656 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1748984313 QQZMYBNOVDBPKT-BGYRXZFFSA-N 457.022 2.853 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCN(CCC)C2)CC1 1748990530 IFEJULQJVXKXHS-DHIUTWEWSA-N 499.704 2.880 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC=C)Cc1cccc(C#N)c1 1749038241 JFOHSIPEIDTXGM-FQEVSTJZSA-N 455.609 2.611 30 10 JFEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CCOc2ccccc2)CC1 1749112400 HKOUDBPWRMIHRI-UHFFFAOYSA-N 450.381 2.924 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1749140550 QRGHUTVWUJVWTK-QUCCMNQESA-N 452.607 2.797 30 10 JFEE C=C(Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O)c1ccccc1 1749244089 FAGJKFLQYGUYIK-UHFFFAOYSA-N 457.556 2.590 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1749264660 BPQIUPVFYHKEDJ-UHFFFAOYSA-N 469.977 2.828 30 10 JFEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1749386852 MFPQMYUUNSCDTF-UHFFFAOYSA-N 456.566 2.803 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCC2)CC1 1749725149 QZOHIHUEIIPJGU-UHFFFAOYSA-N 474.587 2.519 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1749725152 REQLNGAFKGEFNC-FQEVSTJZSA-N 460.600 2.807 30 10 JFEE CS[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1750284688 GWTINZFDDHJCDC-FQEVSTJZSA-N 457.600 2.992 30 10 JFEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1)N(C)C 1751147952 APXMFVWOSYHJJW-SFHVURJKSA-N 479.610 2.703 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccc(N2CCOCC2)n1 1760096752 SUEUYVUVQULZSK-HXUWFJFHSA-N 473.581 2.885 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760151073 WWEVJSWHINNRET-UHFFFAOYSA-N 452.559 2.714 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1760275329 VLCMKHKBJWUFMO-LPHOPBHVSA-N 463.629 2.605 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)cc1 1760288489 DLRHTBJJGBYDQI-FDDCHVKYSA-N 458.632 2.775 30 10 JFEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760304729 DTWVBIUNUWICRE-OXQOHEQNSA-N 488.434 2.628 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1760322032 NCGKFXMGEDIZPA-OPYAIIAOSA-N 459.595 2.624 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1760324476 KRIWMEWKKILTPW-VGOFRKELSA-N 478.590 2.991 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1760324792 MYQPTLGVVJNBDL-SVMVAKDDSA-N 455.559 2.549 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC(C)(C)C1 1760333976 LLYMEHCNASAUIW-UHFFFAOYSA-N 475.663 2.751 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760370810 FUHCLXGLUUBEEU-AWEZNQCLSA-N 477.356 2.892 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760406429 CTLYRDDKUCRFBW-FUHWJXTLSA-N 487.004 2.821 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760409684 DCDBUBLXENRCGD-UHFFFAOYSA-N 481.645 2.826 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2C)C1 1760535171 MPGBMIMFKKGFNM-DOTOQJQBSA-N 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C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCOC)CC1 1286486271 KKNKIVUKOIPUSS-UHFFFAOYSA-N 466.586 2.540 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1286489394 RAOGWTDCLRSKHF-RTBURBONSA-N 481.597 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2nccs2)CC1 1286491085 DZNRWTDSXFBFEP-UHFFFAOYSA-N 452.559 2.673 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC(F)(F)Br)CC1 1286492933 BYWVSHCWKQSZBE-UHFFFAOYSA-N 496.356 2.853 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC2CCOCC2)CC1 1286498404 HPQZXGQSSWNYCT-UHFFFAOYSA-N 470.599 2.768 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286521919 FKMYAVBGCLJHSX-UAKAABGRSA-N 491.658 2.818 30 10 JFEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286594333 LYIBFDUFYLOYAW-UHFFFAOYSA-N 451.619 2.611 30 10 JFEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286683253 NCKHSDWMDNJNSK-GOSISDBHSA-N 466.007 2.841 30 10 JFEE 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30 10 JFEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300404028 UCPWPPFHKHOXGL-UHFFFAOYSA-N 463.630 2.879 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300481819 BPCHQCNKJGLCHG-CUWPLCDZSA-N 478.590 2.855 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1sccc1C 1300511770 OXEABSMNLANIIW-UHFFFAOYSA-N 453.593 2.686 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C(C)C)N1CCOCC1 1300530140 ZTZDTHFGYMFIKP-DEOSSOPVSA-N 457.582 2.560 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCC(OC)CC1 1300537866 KQWAESUWBIUPRS-CBNMVNINSA-N 471.602 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1300577854 DCKPOUFVXQDYKW-JOCHJYFZSA-N 493.633 2.820 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ncc(CC)s2)CC1 1300728952 LAZJWNPFKJPXQC-UHFFFAOYSA-N 483.667 2.861 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1300875366 OXAHGSDSZZKPFA-DENIHFKCSA-N 481.576 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453.978 2.558 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1690581436 RRSFYFZVCFYKDC-DHIUTWEWSA-N 451.619 2.560 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC2(C1)OCCO2 1690586851 VFELOTAHUHDTPG-IBGZPJMESA-N 487.626 2.917 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1690604183 QOAFQYKALYEJMN-FQEVSTJZSA-N 471.627 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCOCC2(CC2)C1 1690717362 DDLMQLUFYVNOCL-UHFFFAOYSA-N 481.416 2.925 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C(C)C)N2CCOCC2)c2ccccc2c1=O 1695899418 DMGWQGMGQJUOLM-KNQAVFIVSA-N 492.628 2.770 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1695976999 AUNVYLIRTBNEMX-MOPGFXCFSA-N 484.557 2.606 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCCS2(=O)=O)c1 1705506733 HCMJLQIQJMBSCU-NHCUHLMSSA-N 485.610 2.543 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)CN2CCOCC2)c1 1705508265 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TTXUTUWPBRUIIT-HSZRJFAPSA-N 487.608 2.873 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 1705860369 QGXGRBPENVILFQ-NZQKXSOJSA-N 482.654 2.976 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1705895676 ORRDHRHUPNBLOJ-IBGZPJMESA-N 485.585 2.526 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705900685 MCAHIUFKCBUARB-IRXDYDNUSA-N 459.620 2.555 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705940087 VHSAHLCBNSFXMU-GOSISDBHSA-N 498.074 2.794 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1706848302 DSZSMCRPDFSMFK-LCLWPZTBSA-N 460.604 2.795 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1708621043 CTIKIHGYDZTYLA-NUDCOPPTSA-N 466.586 2.894 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1722316236 FBADUSMAUIHBBX-UFYCRDLUSA-N 491.658 2.819 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1722316492 IZEGTCFBHSQFTE-GOSISDBHSA-N 476.622 2.741 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722336315 KOJFJDPLSQETHC-UHFFFAOYSA-N 461.570 2.660 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1722364013 IZYJFLSPVDYYGL-MRXNPFEDSA-N 498.447 2.725 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccs1 1722396604 JUDOFGQKPICZQO-KRWDZBQOSA-N 456.572 2.554 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1nc(C)no1 1722429035 MLKMIPVTOFVWKX-LJQANCHMSA-N 487.605 2.803 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nccs2)CC1 1722464376 DJDXISDBQAOHLZ-ROUUACIJSA-N 462.645 2.542 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722507936 YZCPEJVKHFAQLR-GJZUVCINSA-N 496.656 2.665 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722508620 JWCYMXSUPGTHMM-MBSDFSHPSA-N 474.005 2.974 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Br)n2)CC1 1722566470 RYKOMPIDPITEBP-CQSZACIVSA-N 452.378 2.542 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1722702575 PYUHLNIXMPVYQM-FQEVSTJZSA-N 469.977 2.673 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 1722764677 MDGQQZOJDFNBRR-GGAORHGYSA-N 477.613 2.816 30 10 JFEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCN(C)CC(F)(F)F)o1 1724318427 HAOKBJUBPJMDRO-OAHLLOKOSA-N 489.506 2.717 30 10 JFEE CN(Cc1ccsc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1729439638 ABGDTZAUJZIKEN-LJQANCHMSA-N 486.623 2.851 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H](C)N2CCCCC2)c1 1730022660 HQHTUTPIPYAHFG-XMSQKQJNSA-N 454.575 2.956 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1740547279 RHRFFDYIDFSONC-GBESFXJTSA-N 477.613 2.538 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1740553301 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C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2=CCCCC2)CC1 1740703551 WVIOYVIOVMPGIO-RUZDIDTESA-N 455.603 2.785 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740747232 BYPSZHLDXOZBTR-YWZLYKJASA-N 496.431 2.953 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1740758506 YGHZZGIBPMEPMT-HWXYTADMSA-N 480.613 2.866 30 10 JFEE C=CC[C@H](Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1740853929 BSCUTJJVLSXADQ-PIBDYAPNSA-N 453.587 2.957 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1740941949 XHEBCWVDKUBMCP-SBHAEUEKSA-N 493.699 2.964 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740964733 TVBSJQLREJADMS-JOCHJYFZSA-N 481.519 2.997 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H]1CCCOC1 1740986833 IQICHVOWKJVJLG-SFHVURJKSA-N 470.599 2.799 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1741003311 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C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1748808810 OAFKPNPGYRPFTR-QFIPXVFZSA-N 490.589 2.676 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1748812724 ZJJPEEZYZSUGEX-JOCHJYFZSA-N 479.606 2.998 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748825354 XWZZIKWPFYGYCI-TXNPELCJSA-N 492.686 2.765 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CCN(CC)CC1 1748858231 NGYATSWIJVMXMP-QFIPXVFZSA-N 484.645 2.781 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(=O)(=O)CC 1748917690 IZMLEMHQURILBG-UHFFFAOYSA-N 468.421 2.805 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)ccc1OC(F)F 1748959947 BGHSXKMMEAMWOB-OAHLLOKOSA-N 453.877 2.618 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1748973125 YGOXQXNOJBAAAC-BWKNWUBXSA-N 485.032 2.964 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1749114789 GYHCGAAAKUIWOH-PGRDOPGGSA-N 486.592 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VDVVWAPFAVVKAD-ZZEZOPTASA-N 487.333 2.833 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCS2)CC1 1286472692 BRPGGEVINXJHTC-GOSISDBHSA-N 457.600 2.622 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1286503257 CTWSAKRAIQKVHR-INIZCTEOSA-N 453.538 2.812 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286539794 DJZCNLRGIWBCOP-FQEVSTJZSA-N 462.348 2.817 30 10 JFEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCCS(C)(=O)=O 1286541099 GUNKOALRGUKEKW-MRXNPFEDSA-N 471.377 2.570 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(ccnc2O)C1 1286592703 RAMZNIGSUQZGDX-SFHVURJKSA-N 456.547 2.826 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286721088 ZKISPRAAPLORSY-MOPGFXCFSA-N 475.615 2.789 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1286751865 UWUPLYJGVKSWIC-HSZRJFAPSA-N 474.613 2.695 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1286765255 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C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1300569228 HBZJRDUNXOLTMO-UHFFFAOYSA-N 459.550 2.871 30 10 JFEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1300616400 GTPQNIGYJUAARD-CZIZESTLSA-N 469.343 2.694 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)c2ccc3c(c2)OCCO3)CC1 1300683597 RBBBICOYGFMESZ-HXUWFJFHSA-N 483.613 2.506 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1300766376 AXZXOAPOPGMYRX-UHFFFAOYSA-N 478.597 2.661 30 10 JFEE C#CCSCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1300778454 WPCBPNKWPBTWQV-MBSDFSHPSA-N 479.647 2.789 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCC)CC1 1300887835 GSMGZLBAJUIWLW-GGAORHGYSA-N 452.603 2.988 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1300952252 PKFKBODYGSYVIH-LJQANCHMSA-N 474.606 2.611 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300956289 XJELAARHZWOVNT-NZQKXSOJSA-N 466.630 2.833 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1300971993 DQYFBGSXPVHGCP-UHFFFAOYSA-N 475.553 2.680 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1300983269 GHCZEUALVIPEKW-SFHVURJKSA-N 459.595 2.965 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1301108990 DUKKXWCFCZIPMF-XMMPIXPASA-N 489.642 2.631 30 10 JFEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1301216223 FNNKOPVHPHGHNK-NRFANRHFSA-N 450.587 2.867 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1301223213 PGSYEOIKMMXWBZ-SQNIBIBYSA-N 485.651 2.811 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301245485 IUGSJRSRPHUYKT-INIZCTEOSA-N 488.955 2.862 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CCS(=O)(=O)CC2)C1 1301543839 PWVGRFWXHGQSGC-IBGZPJMESA-N 476.599 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@](C)(OC)C1 1301587384 ODRXQHCQAALNJS-NRFANRHFSA-N 454.543 2.753 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301617238 AAFAVOCONKDTLZ-UHFFFAOYSA-N 474.606 2.794 30 10 JFEE Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 1304628373 AGHPIDAOCLJAIU-UHFFFAOYSA-N 478.626 2.814 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1 1357630364 JTIBOQFSNXKPED-LJQANCHMSA-N 456.543 2.517 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1 1358902987 HVYCZZIKWBFOPW-IBGZPJMESA-N 473.581 2.565 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964792 HNEATLJCGMJSPJ-QZNHQXDQSA-N 485.654 2.732 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358964861 IPJJXIYWAWWWRF-SESVDKBCSA-N 456.612 2.940 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1358983468 JDKMNEIHIGTCAQ-UYAOXDASSA-N 489.667 2.618 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(CC)CC1 1359017600 LEDBATJJHKSPGI-QHCPKHFHSA-N 492.647 2.945 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1cccc(N2CCOCC2)c1 1359025882 BRCUPSYXZUPHBX-UHFFFAOYSA-N 451.596 2.901 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC(F)(F)C(F)F)CC1 1359028397 QYVYMLIDVPTDPQ-UHFFFAOYSA-N 496.509 2.819 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1359036341 ULKLNFFQXLXLQB-DENIHFKCSA-N 496.612 2.849 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1359037248 BEHQYTKQLJUILO-NRFANRHFSA-N 474.609 2.915 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1359048310 MCLDVZSNHQKCBT-JOCHJYFZSA-N 462.019 2.620 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359051003 JNNAJMCGGWBRDB-UHFFFAOYSA-N 498.472 2.592 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1359059806 ARPJJIDHNZQCKY-UHFFFAOYSA-N 473.544 2.529 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359082582 NCXUUEKGYWHSKP-ROUUACIJSA-N 476.375 2.942 30 10 JFEE 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C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OCC)CC1 1508159793 YNHXGBZUPTWUBY-UHFFFAOYSA-N 459.572 2.914 30 10 JFEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCN1CC(F)(F)F 1512404084 BCKBBIMZLPTEMV-QFBILLFUSA-N 496.559 2.857 30 10 JFEE C=CC[C@@H]1N(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCCC1(C)C 1530838984 HJYFWFYOMWHVNG-NRFANRHFSA-N 450.601 2.852 30 10 JFEE C#CCCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086528 HUBXDQHGGZBEBK-RLLQIKCJSA-N 485.633 2.893 30 10 JFEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1539202819 LNFRNRWRXLXPRS-HXUWFJFHSA-N 490.029 2.845 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539212199 NJLDAEUAFSVOAG-JOCHJYFZSA-N 480.638 2.565 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnc(C)s1 1539396497 OVHWIZUSRCJAMA-UHFFFAOYSA-N 458.975 2.761 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1539480943 HCKJLPIXAYXSRW-IFMALSPDSA-N 470.662 2.996 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCN(C(C)=O)CC1 1539547187 UWDCCTKGVAZECA-XMMPIXPASA-N 471.005 2.763 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](CNC(C)=O)C1 1539615910 MOLMMNVMVBHZLY-SBHAEUEKSA-N 460.623 2.530 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539637868 UFTFLZZJWKJUIZ-VPWXQRGCSA-N 460.604 2.892 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1539785745 ATDOQFAIYKIYBQ-UHFFFAOYSA-N 453.374 2.618 30 10 JFEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(O)CCS(=O)(=O)CC1 1540154863 FIRULTMKUQUVRS-UHFFFAOYSA-N 456.612 2.866 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540875371 JRDRZLLKTUKBCQ-MSOLQXFVSA-N 456.616 2.554 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1540877890 IRTAOILTFZWLSY-WMZHIEFXSA-N 455.584 2.923 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1540884199 LVHTVHRILOWCED-YKSBVNFPSA-N 470.574 2.639 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](COC)C1 1540900090 KTPRJOKVZRZDTE-HNNXBMFYSA-N 469.405 2.781 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1540907991 ALTDWWOHUHLXRX-UHFFFAOYSA-N 479.597 2.736 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1540919858 YHUUNZWATHMBNX-UHFFFAOYSA-N 467.599 2.878 30 10 JFEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CC1 1543136658 BERZWJGQOYTVLN-UXHICEINSA-N 454.328 2.746 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OCC 1544338348 BKXYWAREIQPAHN-CQSZACIVSA-N 452.754 2.554 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)C)nc1 1547600479 HYVFIDNIRVQHMY-UHFFFAOYSA-N 468.583 2.918 30 10 JFEE CCOC1CC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 1548013820 BPQOOHBHSBUUPT-UHFFFAOYSA-N 466.586 2.753 30 10 JFEE COc1ccc(CCC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(N)=O)C2)cc1 1548367540 MGKQIAZAVBYKIR-HXUWFJFHSA-N 460.456 2.721 30 10 JFEE 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C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNc1ccccn1 1587989280 INGJKUYUUDPGRY-GOSISDBHSA-N 455.563 2.553 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1588045093 GZVYZGCVKJXOJC-GOSISDBHSA-N 470.599 2.850 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1588045493 LVCOYLWTGKWDDI-LJQANCHMSA-N 459.591 2.587 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588050943 YGRCETTUFLRHJD-LJQANCHMSA-N 470.624 2.755 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCCOC2)CC1 1588741674 GREIVZRKATYQNF-SFTDATJTSA-N 453.587 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(C)cc2)CC1 1588930127 NZTNUBSYQNXFFC-OAQYLSRUSA-N 451.571 2.525 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)C)CC1 1589383655 YMTYBXKQRGQIBZ-UHFFFAOYSA-N 451.369 2.835 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(C)=O)CC1 1589569138 NXJIADMMKFIXLP-GBXCKJPGSA-N 469.586 2.906 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1589664260 WPZPVRBPKXQURD-IBGZPJMESA-N 479.622 2.921 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1593746863 OYBCAXABHZRAEY-RUZDIDTESA-N 488.633 2.702 30 10 JFEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1593873349 VVDJJJIYNSDBHU-UHFFFAOYSA-N 471.993 2.586 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1594193381 QDULZYYWYZKQIR-NVQXNPDNSA-N 488.677 2.664 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1594582165 MIFPIPJCWDRCAE-HXUWFJFHSA-N 473.643 2.863 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1595100284 PLYPLFCBIAPWNZ-JOCHJYFZSA-N 479.610 2.840 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1595291497 OQECYFLRNUCHMA-RBUKOAKNSA-N 466.586 2.986 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1595602952 VECKMUREVWKIRW-TUNNFDKTSA-N 458.651 2.811 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595639794 KQEHNKQKQFFTTC-FQEVSTJZSA-N 466.586 2.621 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C2CCCCC2)C1 1595681414 QSSFEOCBXJDRKI-SQJMNOBHSA-N 475.634 2.891 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC)[C@@H](C)C1 1595777888 SRVIAYGMRPCCBL-SFHVURJKSA-N 454.600 2.625 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1595789121 NFWYVOQPPHDIPF-HNNXBMFYSA-N 458.510 2.813 30 10 JFEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)OC 1613623430 ALIXFOGEJJYOHM-AWRGLXIESA-N 493.656 2.868 30 10 JFEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C[C@H]1C 1615871538 BVMVCHVCNWTSJY-HXUWFJFHSA-N 465.602 2.662 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1617869560 BTVCRMYJDZQTOX-NRFANRHFSA-N 456.616 2.564 30 10 JFEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1618712815 NFIVSRIOXJIFNO-UHFFFAOYSA-N 457.390 2.736 30 10 JFEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@H](c3ccc(F)c(Br)c3)C2)nc1 1653321773 CKTBMVIPQATWKB-KRWDZBQOSA-N 454.321 2.702 30 10 JFEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 1666402203 HAMGJJUERBQSCH-UHFFFAOYSA-N 453.442 2.754 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)n1 1669423508 BFJZFIIMCOAYLN-UHFFFAOYSA-N 450.495 2.902 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC2(C)C)c1 1689868566 KLLWLYIDVNSYFX-IEBWSBKVSA-N 486.642 2.771 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1689981839 CFGPLZXACNXHJN-CYBMUJFWSA-N 455.403 2.972 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1689985821 CFBCJWUQOWSCOK-LJQANCHMSA-N 453.568 2.541 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689994219 UICDETKARYXFHN-JOCHJYFZSA-N 470.639 2.775 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1690008804 PMJJLIKSGBYZBO-QHCPKHFHSA-N 482.382 2.800 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1CCCO 1690089477 BRFCBKRYCKHTOY-JTHBVZDNSA-N 455.578 2.798 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2cccnc2)C(C)C)CC1 1690113784 UVAPGDICLQSURU-JYFHCDHNSA-N 466.630 2.909 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cccnc2OC)CC1 1690124400 KNGZVOJDGDIFDV-UHFFFAOYSA-N 495.628 2.600 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OCCC)cc2)CC1 1690135401 VVZAHMWPIPAFBO-GMAHTHKFSA-N 453.587 2.594 30 10 JFEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1690321950 PMPMHORGVMRQIH-DEOSSOPVSA-N 471.627 2.925 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1690433191 SVADTDZRSQDDOB-MRXNPFEDSA-N 468.649 2.615 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1690464695 IQDGSUIAQDWVTN-GOSISDBHSA-N 465.645 2.982 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690475074 DZMNOMZOLIRTIA-GOSISDBHSA-N 453.503 2.586 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1690537911 XCPOSBCXMQRZMT-KURKYZTESA-N 452.669 2.800 30 10 JFEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1690735543 BAVXEDUQTTUTGO-FQEVSTJZSA-N 463.608 2.908 30 10 JFEE CCCC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1695025766 DQKPSEABTSKFHJ-CJFMBICVSA-N 498.653 2.729 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1CSC)S(C)(=O)=O 1695738844 HODADVJZQMRFNI-IBGZPJMESA-N 462.645 2.820 30 10 JFEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCS(=O)(=O)C1 1705544206 HVTFOESQUBTBNT-CYBMUJFWSA-N 455.353 2.741 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)c1ccc(F)cc1 1705575079 XFLHXOVXKQVVLD-VWLOTQADSA-N 494.596 2.666 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CCC)CC1 1705582859 LCKBNUFLDBNBGG-UHFFFAOYSA-N 460.630 2.647 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1Cc1cccnc1N1CCOCC1 1705585516 GAXUKEBUMRQQJQ-UHFFFAOYSA-N 456.550 2.518 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705640938 KQICXGAGCRPEQN-HXUWFJFHSA-N 492.628 2.575 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCOC[C@@H]2C)CC1 1705650563 URWFLURTSDQNJG-PKOBYXMFSA-N 471.552 2.786 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(Cl)cccc2OC)CC1 1705652573 FIOWYAPCXNLXSA-HXUWFJFHSA-N 457.962 2.806 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1705725736 ORDIEKRWSFGEJM-CVEARBPZSA-N 479.006 2.660 30 10 JFEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705745127 APHGMYAUXFPZQG-AWEZNQCLSA-N 489.067 2.559 30 10 JFEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705808803 VWUNSGWZPQQWOH-UHFFFAOYSA-N 457.648 2.735 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705885902 BNELXXDPQUBVAC-FUMNGEBKSA-N 477.606 2.793 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705901454 MBCKLYLLMDUFMI-UHFFFAOYSA-N 477.569 2.597 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705903331 SMJIXEWLDRICEG-RTBURBONSA-N 489.665 2.614 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705905876 KBWAWPZABNWGRL-UHFFFAOYSA-N 468.508 2.892 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OCC)CC1 1705933777 RJNFTNAOKWZDMU-UHFFFAOYSA-N 485.969 2.617 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1705935984 HMQGCEWFEOPXSO-MJGOQNOKSA-N 466.991 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Cc2ccccc2)C1 1705937672 ATAMUTGVIQENES-JOCHJYFZSA-N 468.627 2.810 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1705944062 UDGNPLTVGDRXKW-OAQYLSRUSA-N 486.642 2.882 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1)C(F)(F)F 1706841635 DDRZJDWXYXSSEJ-INIZCTEOSA-N 477.491 2.732 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CCN1CC(F)(F)F 1708182195 DXHMNHVJMCRPHZ-MRXNPFEDSA-N 473.507 2.651 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1708356920 FOBJZJDWRPIBTO-GERBCZOESA-N 454.575 2.631 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1710308380 DOIKAURGCIGAJQ-IBGZPJMESA-N 460.586 2.782 30 10 JFEE CN(C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)c1 1711012791 HSXXGRKRBULXQX-HSZRJFAPSA-N 467.574 2.821 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1722280803 YOFHRUPZKFWQHA-GOSISDBHSA-N 492.580 2.709 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CC(F)(F)F 1722290658 NAOHMXVNXBVIGR-IRXDYDNUSA-N 488.555 2.929 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722346332 OZPNNCUVARYIKU-YADARESESA-N 472.659 2.775 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1722372222 RVLUNEBKBSQYSS-IBGZPJMESA-N 455.609 2.503 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)c(O)c1 1722406235 WGAICFZTNOLFMK-UHFFFAOYSA-N 468.583 2.769 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H]2CCCCO2)CC1 1722443908 PPGOBPKXTXBMMM-NRFANRHFSA-N 451.571 2.879 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(=O)(=O)CC 1722474848 RTFKVEQDEWBMDB-HSZRJFAPSA-N 454.600 2.672 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1722476231 ZDDITBGCKWRABQ-MHECFPHRSA-N 458.607 2.863 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722518389 DSKOTAUZDQNLBZ-FQEVSTJZSA-N 467.618 2.760 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1722573082 OCRBXYPSMRAOBT-UHFFFAOYSA-N 476.622 2.893 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722590684 HGCBQTLYHFJCPH-NHCUHLMSSA-N 452.603 2.687 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722689193 QDRGKBVPRZORGE-MRXNPFEDSA-N 484.402 2.812 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(Cc2cccs2)CC1 1722692747 VFDPRGZWTRTYMU-UHFFFAOYSA-N 493.637 2.833 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)OC)CC1 1722695652 LHXWHAGRNCLGMW-UHFFFAOYSA-N 452.342 2.944 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1722695819 QUOVNVGYRXAUPJ-UHFFFAOYSA-N 497.987 2.904 30 10 JFEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 1722704585 LBBZMUNOVSLRHQ-UHFFFAOYSA-N 452.559 2.610 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1722727322 KICCXGFEHCXQDU-QZTJIDSGSA-N 484.626 2.758 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1729183663 CHYCEYIBNBQGNY-LJQANCHMSA-N 486.642 2.617 30 10 JFEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1729202180 GKWCUUVHJNCFCB-GOSISDBHSA-N 456.616 2.562 30 10 JFEE CN1CC[C@](O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@](C)(C#N)C2)C1 1729595911 HYAPJUDBVWNCPP-RTBURBONSA-N 465.421 2.966 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 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2.629 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C(C)(C)C)cs2)C1 1749713565 UZEVQRJTXQWSLR-JKSUJKDBSA-N 465.645 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749729738 QHDQTJHJIOADAJ-HXUWFJFHSA-N 494.621 2.587 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C[C@H]1CCCO1 1749741243 UWCXKVMTVITBGS-GUDVDZBRSA-N 454.637 2.803 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOCC1(C)C 1749832377 FYEJVXZSORITTO-WOJBJXKFSA-N 462.639 2.674 30 10 JFEE Cc1ccc(-c2nc(Cn3c([C@H]4CCS(=O)(=O)C4)nnc3N(C)[C@@H](C)CC#N)co2)cc1 1751466523 HGKRYRMZXXDGRD-WMZOPIPTSA-N 454.556 2.930 30 10 JFEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)C[C@@H](C)O1 1752194147 HQMLVNVBECIPBE-NJYVYQBISA-N 451.619 2.846 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H](C)C1 1760118230 ZVAILIWKVAQHSN-UFYCRDLUSA-N 460.623 2.776 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncnn1C(C)(C)C 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C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740948386 XBKVXTIMDACCJY-JOCHJYFZSA-N 465.646 2.522 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740993077 SKVZQJHRBKUBIF-INIZCTEOSA-N 489.539 2.682 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740995538 PDGMPWUUPPUAKD-SMOZNVCYSA-N 496.674 2.572 30 10 JFEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1741000810 WLMBQCYRUMOJIU-UHFFFAOYSA-N 453.616 2.556 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CC1 1741210347 HLUVLJWWNHBKHU-UHFFFAOYSA-N 451.575 2.752 30 10 JFEE C[C@@H]1C[C@H](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCO1 1742949242 BOUAIHUDNHUPLV-OPYAIIAOSA-N 457.600 2.893 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1748741002 WZJWKDUVKKSQBN-HNNXBMFYSA-N 465.476 2.881 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1748807676 AYVROPWYXJZMBG-QFIPXVFZSA-N 466.611 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465.646 2.571 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1OCCC1(C)C 1749549318 VZXVQEULEXONOJ-DOTOQJQBSA-N 453.634 2.958 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccco1 1749573653 RZYQGYYMPSPKGA-QFIPXVFZSA-N 456.572 2.917 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1749574819 GCHLIRYUVWDFNZ-OAQYLSRUSA-N 470.599 2.513 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749664256 IMJSIZUIIAGUOE-UHFFFAOYSA-N 455.925 2.761 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1749672247 UQWRENKNSDUIBS-UHFFFAOYSA-N 458.994 2.710 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749680714 OTRRALWYMRBPME-AEFFLSMTSA-N 488.564 2.648 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(OC(F)(F)F)cc1 1751193506 BRYDQQVNLPGCPR-CHWSQXEVSA-N 460.482 2.574 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2CCS(C)(=O)=O)C1 1751272982 BJHGYMHNEMMDTK-INIZCTEOSA-N 458.407 2.944 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H](C(F)(F)F)O1 1752317641 AMQKPWYMPGMRGR-YOEHRIQHSA-N 483.516 2.798 30 10 JFEE C[C@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1752446004 HHMPSMIJPPEHMI-MZNJEOGPSA-N 456.566 2.744 30 10 JFEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1760136214 FCORXOJUSJHZSD-FQEVSTJZSA-N 452.534 2.701 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760138040 QDAHWFRJZFGEKN-FQEVSTJZSA-N 485.633 2.752 30 10 JFEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1760161913 RONKHHCVYWGTTE-UYAOXDASSA-N 453.591 2.735 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760182334 IPRUKRSGWVILFJ-MSOLQXFVSA-N 467.636 2.723 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760191901 OLGJVSWKIXGHRI-PKTZIBPZSA-N 496.637 2.544 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)c1ccco1 1760195640 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JFEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)c3ccc4c(c3)NC(=O)CO4)c2C#N)C1 586344981 CEWUQPXUKROHPW-HHAIEFTPSA-N 471.560 2.646 30 10 JFEE CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 729885200 XBKIOVIYUKGNJX-UHFFFAOYSA-N 456.474 2.856 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 811831083 SUOAFEJPNOGOCL-UHFFFAOYSA-N 485.543 2.526 30 10 JFEE CCC(C)=NNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)n[nH]1 1084576272 PECIBMSJLTZFBL-ZDUSSCGKSA-N 453.594 2.810 30 10 JFEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2=O)cc1Cl 1124717898 IBMCBXLGWATFSS-CQSZACIVSA-N 458.927 2.644 30 10 JFEE C#CC1CCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)cc2)CC1 1130299605 PPVQPDVIZFQMCL-HXUWFJFHSA-N 452.580 2.985 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1161727500 QUKOFQCORAMQTA-BXUZGUMPSA-N 456.870 2.563 30 10 JFEE C#CCN(C(=O)NCCc1cccc(C(=O)N(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1227651100 UDOFHWWFHQAQFC-UHFFFAOYSA-N 456.587 2.975 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)n1 1229998398 OBEZWXRFBYKTMF-LEWJYISDSA-N 463.504 2.705 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCN(CC)S(C)(=O)=O 1286281107 FJIMRLGFRAIGKL-AWEZNQCLSA-N 486.411 2.976 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1286339785 ZEDGSLBBUCDQHG-ONTIZHBOSA-N 472.659 2.791 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1286428720 GDELWBIKYMAZQS-FQEVSTJZSA-N 470.618 2.772 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1286448367 SPWXCDHYFQSFFA-UHFFFAOYSA-N 472.597 2.662 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC[C@@H]1COCCO1 1286460673 PKKOTTMCOHVDHE-QGZVFWFLSA-N 479.375 2.608 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1286461763 WVIZHLPBSWZQTH-LJQANCHMSA-N 496.612 2.769 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1286478956 MKIDJVSNNNFKAS-IBGZPJMESA-N 457.022 2.830 30 10 JFEE C#CCSCCn1c(N2CCO[C@H](Cc3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1286511880 FOURWZCUMVVAIN-QPPBQGQZSA-N 456.612 2.745 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286514249 CCJIOXBMZHXDKV-ROUUACIJSA-N 460.604 2.618 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1286606182 IPQKLTKDVBUVGM-FQEVSTJZSA-N 452.559 2.646 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1286769218 YJXJBWHFLYVZKZ-INIZCTEOSA-N 451.535 2.501 30 10 JFEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286771341 KONLZMWYJIPSSB-PZJWPPBQSA-N 452.603 2.957 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286832319 JVADAPVPEYDHAJ-DLBZAZTESA-N 485.676 2.593 30 10 JFEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1299494755 GHMVYUQVLZGJIZ-KOSHJBKYSA-N 455.559 2.928 30 10 JFEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1300353946 RYNZZEISXUAJLJ-HSZRJFAPSA-N 480.657 2.988 30 10 JFEE C#CCCCCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300376288 IZTIZOACGHLSPD-CJFMBICVSA-N 483.617 2.520 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCCCC1 1300464309 ALSOQUOSQLURCI-VQTJNVASSA-N 460.623 2.778 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1300479134 JBWZGLYNFPYYBB-NRFANRHFSA-N 457.644 2.702 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1300482866 IGBFNRSGDMSTOE-HNNXBMFYSA-N 456.902 2.926 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(SC)CCN(C)CC2)CC1 1300691136 PHLVZQXATNDPPP-UHFFFAOYSA-N 460.051 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1300733633 YWQBAUPVKGPEMO-RFWXGWTQSA-N 499.587 2.575 30 10 JFEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)CC1 1300743338 NGNFMCVHVOIJOY-UHFFFAOYSA-N 452.353 2.539 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1300744791 AKNVAPFEFJGTIR-AWEZNQCLSA-N 478.416 2.750 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300850762 CYYNEUHKNWPZMR-UHFFFAOYSA-N 492.328 2.642 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1300916086 SPIZYJUJVKZMNH-SFHVURJKSA-N 471.986 2.854 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(O)c2)CC1 1301258823 BBWOPEGRSCCSAA-UHFFFAOYSA-N 451.575 2.765 30 10 JFEE C=CCCOCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301260330 ZIGIBGRBQWDCKX-XWTMOSNGSA-N 477.562 2.756 30 10 JFEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCOCC2)C1 1301458747 FUQMFMFKQMKLNN-XMMPIXPASA-N 469.586 2.913 30 10 JFEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301467751 KJGVZKUBGDJUSE-NRFANRHFSA-N 466.630 2.781 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1301484736 MAXGYDKFCJHXNZ-CTNGQTDRSA-N 486.642 2.657 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CCC)C1 1301555683 YJORAFDKXFEBKJ-JTSKRJEESA-N 462.620 2.571 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)CCOC)C1 1301558063 SRTMBRQNIDIYFO-UMEGOILYSA-N 493.649 2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1301568408 GGCVMMRQSRYQFS-UHFFFAOYSA-N 496.637 2.755 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1301586233 FIIVGLFFVWBCEQ-DLBZAZTESA-N 467.586 2.667 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301586495 GYLQJGRHALYTQF-RDPSFJRHSA-N 474.627 2.552 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1301586958 PYCZSBMYKYWDAN-UHFFFAOYSA-N 458.628 2.714 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596632 UQFHQFMEJHLISB-PGRDOPGGSA-N 454.637 2.792 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1305120228 CSYGYZQZMFBFEX-AVRWGWEMSA-N 471.569 2.601 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOCC1 1358888583 PCEBHXBUIODEMP-LJQANCHMSA-N 460.623 2.573 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1358901206 COGLDFQVJVVSKQ-QFIPXVFZSA-N 452.603 2.815 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358955404 LFDFYGCXQZHESI-IAGOWNOFSA-N 467.636 2.506 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358957950 DMROPSACQJAGTE-FDDCHVKYSA-N 494.564 2.988 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cccc(O)c2)CC1 1359034789 CMYVHTQZAAQCEO-UHFFFAOYSA-N 480.613 2.902 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 1359040507 XKLQUKSAPCFWEC-XUTJKUGGSA-N 466.561 2.640 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCN(CCC)C2)CC1 1359042682 PSQBRVSNQNBLAT-FQEVSTJZSA-N 494.640 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CCCC2)CC1 1359045634 OGWYXBQMEWKGFR-HXUWFJFHSA-N 466.605 2.706 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2csc(COC)n2)CC1 1359046394 QDWFOAIFCXZVEU-UHFFFAOYSA-N 478.622 2.794 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1359073383 NSAJPKAMHKAFHE-LJQANCHMSA-N 467.389 2.656 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1359082401 HQQMAPXBLGFTHU-UHFFFAOYSA-N 459.348 2.716 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1359111939 SWINRSBZWAQZTB-UHFFFAOYSA-N 472.553 2.620 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359226817 NFNHVEIWPGUNIK-IEBWSBKVSA-N 458.559 2.836 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)nc1 1359257766 VBFWQFNKPYGECK-UHFFFAOYSA-N 484.564 2.866 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1359296925 ZHPVNFLKOGUWTI-UHFFFAOYSA-N 461.570 2.537 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(NC(=O)C(C)C)CC2)cc1 1359306826 RJEYMUXMILGHIK-UHFFFAOYSA-N 480.613 2.868 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nnc(C)s2)[C@H](C)C1 1359397102 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10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1705948050 GWHQGDIIWOLSGF-UHFFFAOYSA-N 471.627 2.942 30 10 JFEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1708062198 DPLYVBGYALZZFH-FQEVSTJZSA-N 479.629 2.622 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1709422575 GMDZKNHTAKLLOL-UHFFFAOYSA-N 450.572 2.910 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1710006136 AMYNYSKDBWTSQP-RUZDIDTESA-N 483.617 2.720 30 10 JFEE COCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712125383 GHWWJVTYIUARPN-FQEVSTJZSA-N 452.559 2.523 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)NC2CCCCC2)c1 1722308503 BOZPFZIXPUZKIM-UHFFFAOYSA-N 488.596 2.574 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722336032 GRXFOPPDLKRFEU-KRWDZBQOSA-N 465.570 2.668 30 10 JFEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722365339 NKFXHSYDYIZPNQ-RRENTHDGSA-N 452.621 2.626 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1722369996 JWNLZVZJZNODPL-HXUWFJFHSA-N 487.695 2.990 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H](F)c1ccc(Br)cc1 1722418948 JDFPKSGJRPQBKC-KRWDZBQOSA-N 466.355 2.976 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCSC(C)C)CC1 1722447569 KBUGAKYYYWCHER-UHFFFAOYSA-N 496.685 2.560 30 10 JFEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722457935 UDEDFEQXCAVEQA-GOSISDBHSA-N 450.568 2.929 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1722467680 VSLZIRDVILSBAI-UQBPGWFLSA-N 484.670 2.717 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1722488221 CVNALUSAXBTOFQ-UHFFFAOYSA-N 450.312 2.995 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722612909 NGXWFUDNAJVNSS-UHFFFAOYSA-N 474.993 2.747 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCCO1 1722655017 BQVRSAMEBYKCQG-HTAPYJJXSA-N 458.588 2.522 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1722659980 JGEOZBSZYCRXBO-PZJWPPBQSA-N 493.605 2.512 30 10 JFEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722688173 QZLMQIAPQRNNNM-OYRHEFFESA-N 477.613 2.541 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1722700429 JHNBZTCUUZYRAE-GFRFHLAZSA-N 491.621 2.754 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C 1723907800 BBRROQSZXOWSQD-VQIMIIECSA-N 487.655 2.761 30 10 JFEE CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1727287786 AQDMUIGVBXCFOM-QKNQBKEWSA-N 484.649 2.862 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@](F)(C#N)C1 1728651187 GJQRUNMYXRGKEN-HSZRJFAPSA-N 458.538 2.860 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740545179 KVNXXZXPWATFOH-DMUMMCEESA-N 452.559 2.822 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1740562061 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C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)NC)CC1 1749219887 VYCUUMDMLDGKAT-UHFFFAOYSA-N 463.380 2.762 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C 1749537942 QEHXJVMPWSVOKN-UHFFFAOYSA-N 452.603 2.704 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749604357 LSVWFDIYXYAYOB-UHFFFAOYSA-N 462.945 2.641 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2cccc(C(F)(F)F)n2)cc1 1750382414 FQPILZBQPYLMQQ-INIZCTEOSA-N 455.444 2.981 30 10 JFEE CC(C)(C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCC#N)CC1CC1 1750485852 HOCHPCLUYDVYDC-UHFFFAOYSA-N 479.633 2.887 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760122726 RAYCJYWYSPBGAA-LJQANCHMSA-N 492.649 2.985 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(F)CCC2)c1 1760128739 REWNTHJVKYWVOL-GOSISDBHSA-N 473.574 2.519 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1760138406 XWNLAYOXPSCINJ-RTWAWAEBSA-N 475.590 2.895 30 10 JFEE 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C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F)C1CC1 1595054635 NYFQWYKCEOYURU-FQEVSTJZSA-N 477.606 2.883 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1595099508 CRERLCYPHDQJBW-MOPGFXCFSA-N 477.537 2.669 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(F)(F)F 1595765570 DHGAQVWIISIMSK-UHFFFAOYSA-N 454.478 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1595784842 LEMRIOJGLLUGNT-UHFFFAOYSA-N 489.548 2.707 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)c2cc(OC)c(OC)c(OC)c2)nnc1C(C)(C)C 1595831399 PWPVMVSOTPHBNV-UHFFFAOYSA-N 452.577 2.970 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccn1C(F)F 1597479193 COYDOYBFJQNFON-GJZGRUSLSA-N 478.504 2.719 30 10 JFEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1611108778 ARWARSPETSICOK-JTHBVZDNSA-N 452.603 2.915 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)c1C 1611828486 HVGROHQEPLIBOH-MOPGFXCFSA-N 464.526 2.787 30 10 JFEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1620193298 CEWHHSRNMNWJAH-IBGZPJMESA-N 467.643 2.703 30 10 JFEE Cc1ccc([C@@H](Cn2ccnc2)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 1631228566 ACXONTBWNLANNJ-XMSQKQJNSA-N 451.552 2.596 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1 1634373204 VMPLIWBAFRIVOS-RBUKOAKNSA-N 453.347 2.635 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1639688484 VTMIMOKYTLDOKZ-ZHRRBRCNSA-N 458.536 2.970 30 10 JFEE C#CC[C@@]1(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CCCN1C(=O)OC(C)(C)C 1641387107 KCYKYJWXAQUARW-GJZUVCINSA-N 454.615 2.712 30 10 JFEE C#CC[C@H]1CCCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1643533450 SZFAVPZBIKHVIT-OALUTQOASA-N 454.596 2.807 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NOC 1648138988 OGKPYVILJGLHAU-FQEVSTJZSA-N 457.914 2.830 30 10 JFEE COc1cccc([C@H](O)CN(CCS(=O)(=O)c2ccc(C#N)cn2)Cc2ccccc2)c1 1653573913 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C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1690092882 ZTWSPAYFSWXMBT-BGYRXZFFSA-N 467.618 2.768 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCCn2cc(Br)cn2)CC1 1690124628 PNTCBHLZVOAWOW-LJQANCHMSA-N 476.423 2.714 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nc(C(C)(C)C)cs2)CC1 1690154008 GZHMPHGRARLLCH-QGZVFWFLSA-N 456.616 2.898 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1690264689 AGGSPPDEWHHLMB-XBBWARJSSA-N 450.630 2.509 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690279729 AYKNVFOJPNSJDO-AWEZNQCLSA-N 455.378 2.916 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1690284733 VNTWLLRZMHYPQY-MOPGFXCFSA-N 493.612 2.619 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690311357 IMGDKDGKXMOOCI-UHFFFAOYSA-N 496.660 2.740 30 10 JFEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1690473832 IPFNUCBNXBPOTJ-UHFFFAOYSA-N 484.420 2.764 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 1690644269 ANOYQZMIKBBYLM-QFIPXVFZSA-N 498.628 2.974 30 10 JFEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690683618 PPEGCQQHGYRBMC-UXHICEINSA-N 452.603 2.933 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)(C)C)nc2)C1 1690685110 VXWMROYGRVHYFH-IBGZPJMESA-N 454.575 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690715691 RDCNOIQICRXYDZ-SJORKVTESA-N 455.625 2.742 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)C1 1690717803 RDTRUSFDMNLAMI-GOSISDBHSA-N 472.409 2.642 30 10 JFEE CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1694371389 AJLIACVZAZOZFE-PXNSSMCTSA-N 486.573 2.994 30 10 JFEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1697698059 HJAOYRLFPJIQIA-UXHICEINSA-N 478.519 2.943 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)O 1698048905 BFCKIAIUERTCJV-UHFFFAOYSA-N 459.554 2.812 30 10 JFEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1698382192 AKGYOMVMHFCNPX-IBGZPJMESA-N 454.600 2.821 30 10 JFEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCn2cc(Br)cn2)CCO1 1698492759 FWEZUHLUPMIXND-AWEZNQCLSA-N 462.739 2.986 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2F)CC1 1705526578 HMYQGXGYXQYEFR-UHFFFAOYSA-N 468.558 2.623 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705531813 XNOLPJFJUWRRPL-QZTJIDSGSA-N 484.626 2.736 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1705532349 MKPGLQQRLVEPEQ-GUDVDZBRSA-N 479.647 2.723 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 1705560476 KYRLWHPWTZVRQW-HKUYNNGSSA-N 458.584 2.628 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1705568322 LBVLCZGZMWDEGQ-SFHVURJKSA-N 460.600 2.929 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1705587869 MTBAKPKIZUNHIS-HSZRJFAPSA-N 462.598 2.725 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(Br)cs2)CC1 1705635383 XVHRSZFAVRSUMD-HXUWFJFHSA-N 480.432 2.558 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1705646407 DZNVMALBHFDRIF-OSPHWJPCSA-N 468.558 2.616 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705663004 SLGKXUGBXRHHJZ-UHFFFAOYSA-N 464.570 2.732 30 10 JFEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705737007 HZOXHOYCVCHGKH-DENIHFKCSA-N 455.559 2.688 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN2CCOCC2)CC1 1705783182 WCGKIMRAEZTVCF-NRFANRHFSA-N 490.649 2.711 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccnn2)CC1 1705809317 NPONPAZUYUWNQX-UHFFFAOYSA-N 452.588 2.743 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1705821983 ONNOZZFEWRFFKK-UHFFFAOYSA-N 475.041 2.638 30 10 JFEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705834747 QYOGWOGWMIMAMP-IERDGZPVSA-N 469.007 2.860 30 10 JFEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705875496 VGIKFPJKHJPCCB-UHFFFAOYSA-N 457.582 2.791 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705897485 NFMWCNSFNGVTRI-ROUUACIJSA-N 457.550 2.991 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705906474 GREOTPMABXIZPE-IBGZPJMESA-N 481.557 2.552 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705942075 HBMASLVRAJXRRU-UHFFFAOYSA-N 486.598 2.848 30 10 JFEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)C2)CCC1 1710321741 HPJVANWGURSWSX-KRWDZBQOSA-N 454.600 2.977 30 10 JFEE COCCN(C)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1712418346 AUZAFOIJQPRCTI-QHCPKHFHSA-N 452.538 2.541 30 10 JFEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722322104 JEXFYRINUNPAJG-PXDATVDWSA-N 494.640 2.658 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722333602 MLNIZFDMOBBKMB-YADHBBJMSA-N 486.661 2.965 30 10 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C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1)C1CC1 1722645717 XFYXWGRDVAEWHS-NRFANRHFSA-N 462.392 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1722727482 LUXVJVDYBRWIBC-UHFFFAOYSA-N 483.520 2.931 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2CCCO2)CC1 1722728989 CSWMMTMZFOQAFT-LJQANCHMSA-N 465.645 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722730501 UROADDHRJZTNEN-LJQANCHMSA-N 481.663 2.915 30 10 JFEE CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N)N(C)C 1723252602 DCIIDPFTAUJVJV-ROUUACIJSA-N 450.591 2.907 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1728362761 BLJPRGUXKLPZAU-NRFANRHFSA-N 494.644 2.797 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728628361 DEKZSVAOHNOBSM-JTAQYXEDSA-N 485.608 2.560 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1740547636 ZNOQCJLLYADOJY-GOSISDBHSA-N 463.586 2.856 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2ccc(N(C)C)nc2)c1 1740562902 NVRRYIHQILVXNC-UHFFFAOYSA-N 466.549 2.906 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)[C@@H](C)CC)c1 1740563202 RGIXXOYWPRVCFT-RXVVDRJESA-N 466.586 2.631 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@]2(N(C)C)CCSC2)c1 1740563676 WYANBTPUSMNJFA-NBGIEHNGSA-N 482.654 2.666 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740595364 RLZQIIXKUGIICR-MRXNPFEDSA-N 469.571 2.767 30 10 JFEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(=O)(=O)N1CCSCC1 1740603457 SWRGZLXYHAVOIT-UHFFFAOYSA-N 479.697 2.724 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740627611 RKEDVMKBPCMBOY-BHIFYINESA-N 472.611 2.924 30 10 JFEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740779773 ZFZSXOBNJGTNRE-AABGKKOBSA-N 498.609 2.519 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740787232 DLKNFACIMFBRBN-QGZVFWFLSA-N 479.423 2.943 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1740825166 KNXBDIZBHHFLRF-OXJNMPFZSA-N 470.517 2.787 30 10 JFEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740851720 AWMUHPFADPJQRV-NRFANRHFSA-N 452.559 2.672 30 10 JFEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1740886397 GBYDOIBQMZSSSE-UHFFFAOYSA-N 464.599 2.820 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)NC)C1 1740975192 MWMKEHLRULSZMC-CQSZACIVSA-N 460.387 2.582 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(Cl)ccc2OC)C1 1740982556 VDBWNTXRGVCHBY-MAUKXSAKSA-N 466.991 2.672 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 1741570669 FALQUSSMAHNOPP-DEOSSOPVSA-N 493.656 2.915 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccnc2OC)ccc1OC(C)C 1748524264 HSZYVVGVPFIBRH-LJQANCHMSA-N 464.526 2.922 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1748818292 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FVLMQJYFXRSBFW-ROUUACIJSA-N 467.636 2.840 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1749385826 UPQOYKKZKBPHHA-FCHUYYIVSA-N 452.603 2.700 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749449335 LHMJYBGUFSVBCA-HOYKHHGWSA-N 458.559 2.939 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1749456930 NJMDWHHGRLYERA-OAQYLSRUSA-N 466.586 2.529 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNc1nccc(C(F)(F)F)n1 1749487380 BRHGKMMMMUIKAG-UHFFFAOYSA-N 488.522 2.995 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749677844 MFVWPJDIKKVSJX-AEFFLSMTSA-N 489.418 2.595 30 10 JFEE CS(=O)(=O)CCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1750202118 ADJKFVRITBDBSZ-UHFFFAOYSA-N 474.606 2.783 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1751095650 FRUBTZSPAUDZPJ-AYOQOUSVSA-N 480.491 2.792 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(OC(F)(F)F)cc1 1751193507 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C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760507692 YKCGXIKPSYGZGL-UHFFFAOYSA-N 482.629 2.965 30 10 JFEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1760512361 CEWWRVJJCBKYAE-RBBKRZOGSA-N 477.613 2.732 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC(C)C)C1 1760542678 JGGHBSNMKIPQNZ-RBUKOAKNSA-N 465.595 2.793 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760560645 AXUAUYFJXJYNND-HXUWFJFHSA-N 463.585 2.788 30 10 JFEE CCCN(CCC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1764352919 HZXNUGFGQNGIIZ-NRFANRHFSA-N 450.591 2.543 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)cc1OC 1765993108 HIDKLCHGXKWYPV-HYJWCJBQSA-N 461.588 2.628 30 10 JFEE COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1768422266 ATZJTEKQEJUVBL-QHCPKHFHSA-N 458.538 2.853 30 10 JFEE COc1ccccc1OC[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1770488419 COXNNYLFXAHCHO-PMAPCBKXSA-N 490.630 2.742 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862467708 UTGNSODWXAPZFF-HXUWFJFHSA-N 478.423 2.836 30 10 JFEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2c(c1)OCCO2 1862494547 NFOXIEYETCJRIJ-QFIPXVFZSA-N 450.491 2.789 30 10 JFEE CCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1 1862739732 FSHZXXXZKFXWLD-FQEVSTJZSA-N 453.451 2.708 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 1862739767 GSUDSGKKHGJRHO-OAQYLSRUSA-N 496.476 2.804 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1864322425 MXOHQYGCVKMLLP-OAHLLOKOSA-N 466.460 2.680 30 10 JFEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1=O 1870563520 FKCLYSCKOCESLU-UHFFFAOYSA-N 498.627 2.904 30 10 JFEE C=CCNC(=O)c1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc2c1CCCC2 1873440825 IRNPCQRWMZIWOK-UHFFFAOYSA-N 468.491 2.686 30 10 JFEE C=CCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(N3CCOCC3)ncnc21 1873560917 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30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)C1=O 1526844422 WAKOCZPDHRDDDX-UHFFFAOYSA-N 451.870 2.653 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(C(N)=O)c1 1538974353 VCBIBONVJWFJHS-CQSZACIVSA-N 455.360 2.846 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1539003739 QAMLXUUGGHVPCZ-ROUUACIJSA-N 482.610 2.519 30 10 JFEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539273442 SCFGYRLEALGMTE-RPWUZVMVSA-N 479.650 2.730 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccsc2)CC1 1539427858 JJTUXCASZRHNRH-VWLOTQADSA-N 478.622 2.872 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCOCC)CC1 1539446790 IYGZEUMSMSZLCC-OAQYLSRUSA-N 474.650 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCSc2nccs2)CC1 1539484309 KMDNORPZICOUFI-UHFFFAOYSA-N 481.651 2.869 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539490408 BRQJGEBZLJIMJT-UHFFFAOYSA-N 486.617 2.664 30 10 JFEE 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473.549 2.587 30 10 JFEE CC(C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1541292648 HQSGZMTTXKGZDN-AREMUKBSSA-N 488.596 2.526 30 10 JFEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCCC2)cc1C 1542482930 GWGKHMSFGPXUDQ-JOCHJYFZSA-N 466.586 2.995 30 10 JFEE C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1543929000 FAKHCSOZCXWYHL-PLOUGOBLSA-N 474.606 2.672 30 10 JFEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1)NC(=O)OC(C)(C)C 1545968595 HZZBGBGILWMJDJ-HXUWFJFHSA-N 467.574 2.789 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)n1 1556460984 LHVAEKXQFFVJSV-IBGZPJMESA-N 455.563 2.732 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1587883746 KUKAJIDYEWGORF-IBGZPJMESA-N 478.018 2.928 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588041170 VPQKPVGIOIUJMD-PZJWPPBQSA-N 473.643 2.985 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CCOC 1588139118 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PFKGRBXPJUMGFT-UHFFFAOYSA-N 456.616 2.645 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCSC1 1619899592 CFODYSLCRODJBW-FQEVSTJZSA-N 454.600 2.678 30 10 JFEE CSC1(Cn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)CCN(C)CC1 1620228564 DNILQTNWEAMPSM-GOSISDBHSA-N 483.690 2.780 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(C)c3I)n[nH]2)c1C 1635687403 IPVKRVGMRDRTPK-UHFFFAOYSA-N 451.272 2.666 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(F)(F)Br 1649539298 KJONZWASMQDIPE-LLVKDONJSA-N 475.363 2.992 30 10 JFEE C#CCN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1654784865 LXNRBBIHBBSESD-UHFFFAOYSA-N 451.589 2.899 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)cc1 1658321791 ZHKLVIILWNKHBK-GOSISDBHSA-N 450.948 2.885 30 10 JFEE CCOC(=O)c1c(NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c(C#N)cn1CCOC 1670537210 DXVGUZWMXZTAIV-UHFFFAOYSA-N 451.524 2.513 30 10 JFEE N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3CCc4ncc(Br)n4C3)CC2)c1 1682384622 IDGACDZRVBMSTO-SFHVURJKSA-N 457.376 2.796 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1689865343 RYHXFBWORCUVGY-YFLGLAMVSA-N 471.577 2.724 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1689944613 WRJBZSLUFBSHSB-IAGOWNOFSA-N 453.547 2.640 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689996965 SGQOPKFKBRSFCP-VSKRKVRLSA-N 486.638 2.652 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690013375 LXCZANGDPLYSMY-WMZHIEFXSA-N 456.550 2.729 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCC(C)CC1 1690036842 DCXIHTPYYFFNDT-NRFANRHFSA-N 467.639 2.932 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncc(CC)s1 1690036853 DMGXPURQDGQULH-UHFFFAOYSA-N 482.635 2.726 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1690046942 IKNWGJGWZPTJQX-FQEVSTJZSA-N 491.573 2.537 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1nccc(C(F)(F)F)n1 1690053772 IEZUKIABXLOXLH-UHFFFAOYSA-N 487.511 2.784 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(=O)NC1CC1 1690056106 FWYCYDUOGRBITB-PUZFROQSSA-N 468.602 2.571 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C2CCCCC2)CC1 1690131970 BVRANYPSOGCANM-UHFFFAOYSA-N 461.614 2.748 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccccc2)CC1 1690139866 CKBBRFGTYHYEDM-RUZDIDTESA-N 478.984 2.867 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2cncn2)C1 1690159480 BZXGFDMEXVGUMO-HNNXBMFYSA-N 461.393 2.835 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)OC)CC1 1690160021 UQKBVDSWTPNFSV-UHFFFAOYSA-N 494.415 2.971 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)OC)CC1 1690172908 RAEATSGQUJKUOP-SFHVURJKSA-N 492.646 2.647 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)C1CCC(NC(C)=O)CC1 1690227121 WKDQQMGOGFDJEP-UHFFFAOYSA-N 479.379 2.798 30 10 JFEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690232053 XTELFHYOGGHDRN-FQEVSTJZSA-N 462.348 2.839 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690312905 GJYDLMQFUIEQDM-HXUWFJFHSA-N 485.610 2.692 30 10 JFEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1690348922 GVYZLASDTLTNAY-WIYYLYMNSA-N 472.037 2.833 30 10 JFEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1690394839 OBPUQYIKUSMFGQ-UHFFFAOYSA-N 464.496 2.837 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690432620 HUVXXFGKZROBQZ-MOPGFXCFSA-N 465.664 2.771 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1690497016 FIWHWCJFEPQYFL-GOSISDBHSA-N 450.547 2.765 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695911765 AGPFMYSXXSDNCD-UHFFFAOYSA-N 488.596 2.709 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN(C)CCOC 1705482426 YZPCBGNCXPDUEY-OAHLLOKOSA-N 450.381 2.752 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)C(C)=O)CC1 1705517293 SISORFYDIKFERY-UHFFFAOYSA-N 464.618 2.703 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1705569541 DYRSKBFJEZKUCB-FQEVSTJZSA-N 462.591 2.840 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705571824 JCQHHMCXAHDLAD-VAMGGRTRSA-N 466.648 2.639 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](F)c1ccc(Br)cc1 1705589684 UYUOJRJJMVIYAS-YJBOKZPZSA-N 496.406 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(Cl)nc1 1705590947 AMSOUVHNFVXJCQ-UHFFFAOYSA-N 453.955 2.908 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCCCC1 1705595534 WUUAKZWOIQCAQH-OAQYLSRUSA-N 481.670 2.823 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCOC[C@@H]1OC 1705621181 UZJMFUPHYKOICM-VAPSRWTKSA-N 472.561 2.833 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(C)cc2)CC1 1705645325 QJUBRLMRKWVWQQ-HHHXNRCGSA-N 495.624 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccc2Cl)CC1 1705648879 BJNJWNGRYAWIHJ-UHFFFAOYSA-N 451.962 2.541 30 10 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2.933 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1705915151 INGQABYCLNYSJA-MSOLQXFVSA-N 473.549 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1705935562 VPXAZLFBTSOJMT-UHFFFAOYSA-N 451.559 2.542 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2C)CCN1S(C)(=O)=O 1708044305 ADKGAHKOXSSPSA-WSTZPKSXSA-N 472.615 2.635 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1722293815 NYUBBEWNACNGHE-GOSISDBHSA-N 479.654 2.960 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722363813 VTNQIIFXJJBTAK-FGZHOGPDSA-N 499.681 2.948 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1722366274 HDPJYLSGLFOOKD-QGZVFWFLSA-N 480.537 2.831 30 10 JFEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1722366842 SYKMQJZDZCOFLI-IBGZPJMESA-N 467.595 2.591 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1722367521 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463.579 2.585 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCN1CCOCC1 1740576511 YYABQSAHIRKOHV-OAQYLSRUSA-N 474.650 2.965 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740577613 KETFBZFDVHNYSZ-VQTJNVASSA-N 470.643 2.620 30 10 JFEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740578735 FLQIEYFXRGSEII-HXUWFJFHSA-N 461.563 2.583 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1740627888 KWTMVFSMUIBKPB-FQEVSTJZSA-N 485.635 2.800 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC1CCOCC1 1740650934 TWBQMILAFZUEBG-UHFFFAOYSA-N 450.539 2.765 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)Oc1ccc(C)cc1 1740684325 NIPIIZOQSFAUBU-GOSISDBHSA-N 451.527 2.868 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCC2)CC1 1740695677 ASFFRMKSWMQYQW-SFTDATJTSA-N 470.618 2.698 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2sccc2C)CC1 1740703446 STXJIVOPRRHZJQ-XMMPIXPASA-N 471.627 2.703 30 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30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1740992046 LUAHCUAJMHPNJJ-KXBFYZLASA-N 484.981 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1740992563 JEURRDLZXJEXFV-QFIPXVFZSA-N 451.596 2.934 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1748803884 AVUSXSJDAYGFHV-KRWDZBQOSA-N 481.416 2.759 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748816032 VYBZKJIUVWSFEK-DSKINZAPSA-N 476.574 2.753 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC[S@@](=O)C(C)(C)C)CC1 1748999718 CQRHJAXHKVECOU-MGBGTMOVSA-N 473.643 2.558 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H]2CCOC2)CC1 1749004458 JICKFQZVFFZAKY-OALUTQOASA-N 469.561 2.950 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](F)COC)CC1 1749009689 VSBKQCCIYNPVOS-LJQANCHMSA-N 466.517 2.550 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCc2ccccn2)CC1 1749015310 CJTIMABHKGGYJF-UHFFFAOYSA-N 458.566 2.769 30 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10 JFEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1749684483 YCUGXICMYMOEBY-IBGZPJMESA-N 470.599 2.652 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 1749713707 WYRDPNXPBCKPOA-BHDDXSALSA-N 473.643 2.573 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1749731254 AAOLKXLSNJCJRV-SFHVURJKSA-N 478.640 2.934 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1749740908 ZZCWEFGZWMEMEF-UHFFFAOYSA-N 466.579 2.991 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](c1cccs1)N(C)C 1750966012 GHAHCZVYDJBRCZ-OAQYLSRUSA-N 492.653 2.979 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1751218909 GULTXNUYTAAPMW-ZCVJKFOLSA-N 485.658 2.855 30 10 JFEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760140314 JFSWDOMQEHOHJK-QFIPXVFZSA-N 463.630 2.590 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccnc(OC(F)F)c1 1760160523 GESWIGURFYFDPU-UHFFFAOYSA-N 460.872 2.976 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1760181559 XLPYBZRYWAGLHT-OAHLLOKOSA-N 494.440 2.967 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760187075 TXBXEMYLQVRGBL-HXUWFJFHSA-N 477.030 2.966 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190673 UARKBAFGIOWNCM-GOTSBHOMSA-N 479.606 2.668 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760191396 GRUVYASDHXBTAP-JOCHJYFZSA-N 470.639 2.897 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1760228058 UDURBYKESGPLNK-NRFANRHFSA-N 459.554 2.800 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1760265198 RFNWABVKNQLSQO-JOCHJYFZSA-N 491.684 2.752 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(F)cn2)CC1 1760270723 XMXOTQSYNSWPOG-UHFFFAOYSA-N 450.493 2.556 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1760325954 SVTOEIWQAIXSDD-JPYJTQIMSA-N 490.004 2.787 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760367480 JDLNGADYTSSKCY-BBRMVZONSA-N 450.879 2.838 30 10 JFEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 1760469137 VQPYCUJXFGEMJA-KDURUIRLSA-N 461.655 2.697 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccn(CC)c1=O 1760478090 UYXLHJIDGIXVSJ-OAQYLSRUSA-N 462.554 2.660 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760551037 RITKEZSGMMKJNX-IYBDPMFKSA-N 464.588 2.664 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1760653740 GJTGUWZYMIGJMY-QGZVFWFLSA-N 466.496 2.945 30 10 JFEE CC1(NC(=O)OC(C)(C)C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1761573287 DCWJBFCHXRQHHE-UHFFFAOYSA-N 477.573 2.992 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCS1 1763089133 GAVFMLGPBWIHCP-NQIIRXRSSA-N 467.643 2.701 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc2c1=O 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30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282172648 ZGZFAQMKWUUYKQ-BYICEURKSA-N 457.380 2.756 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)CC(F)(F)F 2282179927 XCMBUGQDYPTCIF-OAHLLOKOSA-N 473.301 2.956 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282348865 QIAWPYKUTQTYOW-IAGOWNOFSA-N 480.436 2.958 30 10 JFEE CC(C)(C)OC(=O)NC1CC(CNS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282419472 VIYJEOWYOCDOIU-UHFFFAOYSA-N 480.436 2.709 30 10 JFEE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1coc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282540393 JDIBEYMMNCXOLD-YCJKGERQSA-N 462.352 2.523 30 10 JFEE Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282543039 JFVMBNWWKQGLFK-HZPDHXFCSA-N 462.400 2.533 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1 2282546098 KVCGSFVXBWAILQ-XYJFISCASA-N 457.380 2.674 30 10 JFEE 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C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1507801260 SNRNRAAYRINJMI-WFXMLNOXSA-N 454.531 2.798 30 10 JFEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1507821841 NEFFFRUVKYFNGK-UHFFFAOYSA-N 478.601 2.744 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1508143487 LXEULLKRQKTVKJ-UHFFFAOYSA-N 465.664 2.695 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCO[C@H]1C 1508413336 HINUELAVSXEZJA-NQCMUKECSA-N 452.328 2.982 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)C)C2)c1 1518051133 HNKJOPZSRDYWRE-GCJKJVERSA-N 454.575 2.811 30 10 JFEE C#C[C@@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)c1ccc(Br)cc1 1525054560 OVACFXDHXHHKOO-GOSISDBHSA-N 454.328 2.631 30 10 JFEE C#CCn1cnc(-c2ccccc2)c1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 1528704099 XAHVAXNWJDNHTQ-RUZDIDTESA-N 457.490 2.598 30 10 JFEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539049618 RFCPKCUETKFKKX-KRWDZBQOSA-N 474.407 2.890 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1539142975 ZYATZVAIWHBOML-ICSRJNTNSA-N 457.600 2.830 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(Cn2ccnn2)CC1 1539521062 XDOQVNWJDWCICB-UHFFFAOYSA-N 451.600 2.752 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1539593883 BSWGKUQUDHOKPR-NEPJUHHUSA-N 470.397 2.971 30 10 JFEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1539602984 GDXQODHRRLMNJP-UHFFFAOYSA-N 473.375 2.554 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1539744033 BZGFGHFNQSSEIB-AUSIDOKSSA-N 459.978 2.659 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1540152485 VXYLZZDGJSRVKJ-CLAROIROSA-N 456.635 2.791 30 10 JFEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(OC)CCC2)CC1 1547414549 GDBAZCFOQURVDN-UHFFFAOYSA-N 479.629 2.766 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1 1547474745 CMYLPONWUYJSLK-QHCPKHFHSA-N 479.629 2.766 30 10 JFEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@@H](CC#N)C2)c(=O)n(-c2ccccc2)n1C 1557461821 HOJCNXLFOOIBCJ-MSOLQXFVSA-N 455.584 2.697 30 10 JFEE CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)c1cccc(Br)c1 1558466186 WNBTZDWLIQHOLH-AZUAARDMSA-N 456.344 2.996 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)c1 1583930340 FQWXQEJSMBAPJF-UHFFFAOYSA-N 450.586 2.748 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1587581067 UWODXHFWEPLJKN-OAHLLOKOSA-N 497.568 2.967 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1587600256 WQAUPFDIZDZBCN-INIZCTEOSA-N 471.558 2.714 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@H](F)C2)c1 1587683372 IQTDSVNQWNMZFG-RBUKOAKNSA-N 452.534 2.709 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1587803420 ACMGMWFNMXYBBK-XMMPIXPASA-N 471.005 2.576 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1588049130 AQFOUWOEEJEOLX-INIZCTEOSA-N 479.484 2.847 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cc(Br)cn1 1588099724 XGAODEIJRQSNBL-UHFFFAOYSA-N 468.315 2.975 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccnc1OCCOC 1588189940 UYZPJAWYLIWFSB-UHFFFAOYSA-N 497.397 2.978 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1588550851 ZOFXAUXPYNOHDZ-TZIWHRDSSA-N 485.585 2.855 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1588968493 MMQVUEUQBALQRE-UHFFFAOYSA-N 494.665 2.722 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1589116723 LOCRYDJFUWTRFW-IBGZPJMESA-N 486.617 2.945 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1594807124 FGJZCZIHWBDSFE-SFHVURJKSA-N 487.992 2.725 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595442523 QOCIBHPDXLUHEJ-UHFFFAOYSA-N 453.934 2.517 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1595497367 ZHJVPIRXGHVPHZ-HRCADAONSA-N 479.672 2.691 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1595506519 CCYICUVHYLICFI-NRFANRHFSA-N 467.492 2.786 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1595639737 JAUYPUURTLKVHK-UHFFFAOYSA-N 467.595 2.890 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1595760108 KQCIXSNBNWVQDR-SFHVURJKSA-N 460.604 2.561 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1595797412 FYIOSDQHMUNOOO-FCHUYYIVSA-N 469.611 2.714 30 10 JFEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1615916370 AYFPENPNKYYBMX-UHFFFAOYSA-N 453.549 2.579 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)cc1 1629686093 CNSVMERBQADSRW-DHIUTWEWSA-N 457.596 2.560 30 10 JFEE N#Cc1cccnc1OC1CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 1638999382 GLCITYVZYLMHCS-UHFFFAOYSA-N 457.328 2.952 30 10 JFEE CC(C)[C@H](C#N)N1CCN(C(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 1643577046 CKITWQSDJNRBRC-NRFANRHFSA-N 451.596 2.911 30 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C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690338518 ABISIBQVTAJIEZ-KKSFZXQISA-N 453.978 2.558 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCSC(C)(C)C1 1690669158 WCJPGKJEJPKTBW-UHFFFAOYSA-N 481.626 2.699 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690727213 XGOAORHMVCKIGW-SFHVURJKSA-N 467.636 2.525 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1692661215 GNIOROPPNUDLQY-ZDUSSCGKSA-N 462.457 2.517 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN(C)C(=O)OC(C)(C)C)CCOC1 1696025685 AVZRPYRBDNVXLT-VGOFRKELSA-N 450.584 2.926 30 10 JFEE CN(C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1)C1CCCCC1 1696570635 FJFGQRDWIMKYCE-UHFFFAOYSA-N 464.574 2.847 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1698087037 CONNCBNFEJCGJP-NRFANRHFSA-N 451.619 2.706 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2cnccc2OC)c1 1705505711 SAHZJKRARFFNAB-UHFFFAOYSA-N 453.506 2.848 30 10 JFEE 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C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1740738156 FXGLLKMCVICFRG-UHFFFAOYSA-N 450.362 2.997 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740747320 DVSVALVJDOXBNG-FQEVSTJZSA-N 491.482 2.653 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740786506 GGRXEYANZSFPBS-UHFFFAOYSA-N 474.993 2.625 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740947363 WLKJYTODACHLDF-RTWAWAEBSA-N 473.666 2.795 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740950552 WPRBWIDXSPGUTP-ZWKOTPCHSA-N 463.579 2.547 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1740954490 NVULAQWIMVDLJG-CVEARBPZSA-N 479.672 2.693 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740960707 YKAFZZKTTCMMHE-QAPCUYQASA-N 481.475 2.641 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCN(C)C2)C1 1740974899 QAFPBKISTUYNIV-IFXJQAMLSA-N 468.421 2.617 30 10 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467.639 2.846 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507845426 GBQMJXNLJIOLAG-MRXNPFEDSA-N 454.543 2.753 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)C(C)C)CC1 1507846994 DCGFPLIXRBRSQM-UHFFFAOYSA-N 474.631 2.557 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1507982778 WDCPMPSHGBTBNA-JTSKRJEESA-N 466.652 2.646 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508073033 LSCGZLWKIJIZHS-UHFFFAOYSA-N 476.528 2.590 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1508147057 GOXLTMVVCYTRLB-UHFFFAOYSA-N 478.022 2.925 30 10 JFEE CC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)c2C#N)C1 1529938164 GKEIEAIFJRORRJ-UHFFFAOYSA-N 457.986 2.793 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@H](C)C1 1539025234 GPWSFBVDSPKEQI-ZEQRLZLVSA-N 463.674 2.833 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539052605 QGMMDGPEYMHSHK-UHFFFAOYSA-N 486.642 2.736 30 10 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475.615 2.865 30 10 JFEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C(N)=O)CC2)cc1 1595640413 WUXVXQNBCMGGRV-UHFFFAOYSA-N 480.594 2.584 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)NC(C)C)C1 1595688392 IHCVAMTVDYMUCE-GOSISDBHSA-N 498.447 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595773105 QLHVTPPZMKMENU-UHFFFAOYSA-N 493.515 2.806 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1595784948 OKXZSPQHSJBMTJ-UHFFFAOYSA-N 482.610 2.972 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1595812447 UKNQFWWWZVYXKN-LJQANCHMSA-N 458.613 2.971 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(CC)ns2)CC1 1595890364 RDKRKIHFQCFELV-UHFFFAOYSA-N 456.645 2.924 30 10 JFEE C=CCn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 1597425654 QJPCTQVQUMFYSC-XJKSGUPXSA-N 455.005 2.959 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1597596204 CKHNLPXQJUGKTF-UHFFFAOYSA-N 450.547 2.781 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)c1C 1611828489 HVGROHQEPLIBOH-RTBURBONSA-N 464.526 2.787 30 10 JFEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1615344421 BQNDFNFUQQNXKT-OXQOHEQNSA-N 450.547 2.816 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1617356519 HAXHQQQRLKQLBA-QFIPXVFZSA-N 487.674 2.701 30 10 JFEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1618635317 HWKPJBOEJZDCKR-IEBWSBKVSA-N 475.519 2.663 30 10 JFEE CC(C)(C)OC(=O)N1CCC2(C1)CN(S(=O)(=O)c1cc(Br)cc(C#N)c1)C2 1622669464 BJLGIJDHFIBAEP-UHFFFAOYSA-N 456.362 2.952 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)n(Cc2ccco2)c1C 1652914611 GZUHRRHYAXXUJE-MBSDFSHPSA-N 452.603 2.514 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@@H]2C2CC2)n(Cc2ccc(F)cc2)c1C 1654490991 HMJBFEAXGLBZLE-OAQYLSRUSA-N 458.559 2.612 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)=O)c1 1660875245 UUQKOZJDCWFYCO-UHFFFAOYSA-N 453.564 2.961 30 10 JFEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 1668572284 GVACDFQMWUXZHB-MRXNPFEDSA-N 459.833 2.972 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCC=C)c2ccc(C(F)(F)F)cc2)CC1 1670827231 UOGLKIXLSPXHEZ-SFHVURJKSA-N 458.506 2.508 30 10 JFEE CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1679964632 BYONNZGQIZKREB-ONTKHRELSA-N 454.600 2.860 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1689831004 FHDFUTKRROVJSM-MZNJEOGPSA-N 458.559 2.851 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986901 ZGRNNSLCQYIMRE-LJQANCHMSA-N 473.618 2.975 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690112405 XHXQOBZUZAFBOC-TZIWHRDSSA-N 468.577 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C)CCOCC2)CC1 1690140171 OYSXKTNUFYKLDC-UHFFFAOYSA-N 456.978 2.776 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2c[nH]nc2C)CC1 1690152462 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WSBHVDAMWSQNSR-HXUWFJFHSA-N 479.585 2.823 30 10 JFEE C=CCNC(=O)Cn1c(N2CCOC3(CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690678389 UVUXSZBYWGUFSI-HDICACEKSA-N 474.606 2.500 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2cnn(C)c2)CC1 1690678411 VPDGZVLWLPANOZ-TZIWHRDSSA-N 455.607 2.616 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCS(=O)(=O)c2ccccc2)C1 1690693420 ASYDTVCNUYDXJN-IBGZPJMESA-N 453.568 2.985 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(CC)C(C)C)C1 1690696648 GUXPBLHXJJGEEY-LJQANCHMSA-N 465.602 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1690723366 PESJQJAMOKAPGC-AWEZNQCLSA-N 496.515 2.973 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690725196 IJEGYLGLBWIQTH-OALUTQOASA-N 465.019 2.986 30 10 JFEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1692511888 DSRKGCGWJBEUGE-DEOSSOPVSA-N 491.640 2.938 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1705477008 IFEVKXQXOHCIGN-CUXKYVRBSA-N 472.659 2.647 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705508808 VKHPORMWPVFZBV-DENIHFKCSA-N 485.032 2.822 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705524520 NFHBZSKQVYZSQY-OAHLLOKOSA-N 467.542 2.628 30 10 JFEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705530303 LWCCADZTOSLIKO-UHFFFAOYSA-N 461.614 2.841 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1705568932 AWCDETYRMOPAMD-SFHVURJKSA-N 478.018 2.765 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1COCCO1 1705593685 UGXPDSOFDMBJDJ-KRWDZBQOSA-N 459.344 2.595 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1705612028 WYYBSBMJXVHNFL-UHFFFAOYSA-N 473.585 2.919 30 10 JFEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)N1CCOCC1 1705618907 ZJGQBYOCQWZOFV-QHAWAJNXSA-N 474.650 2.865 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1Cc1ccc(C(N)=O)nc1 1705620137 MFQXWOUZVIXOIX-UHFFFAOYSA-N 455.497 2.585 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705663601 NMLUCUJXYKMPBM-UHFFFAOYSA-N 480.682 2.564 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)CC1 1705697123 KHILBCCOCQDXFU-YLJYHZDGSA-N 493.450 2.796 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705701647 HTCIIKIGUUIAPN-REWPJTCUSA-N 458.651 2.592 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1705707639 OLFPAHNWDRXBOM-UHFFFAOYSA-N 456.566 2.941 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1705717941 WCILWOGVBZUPLF-IBGZPJMESA-N 488.637 2.969 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705786545 QNRAEVNYSTUIRD-CVEARBPZSA-N 470.640 2.594 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705829025 FIZNEQBNYCNXGS-ZWKOTPCHSA-N 462.595 2.658 30 10 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JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722701302 MBJITRIRTWLHBD-UHFFFAOYSA-N 465.627 2.765 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)N2CCSCC2)C1 1722714826 KASXMAOSUJTYGH-QGZVFWFLSA-N 498.074 2.758 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1722729788 XFXVHYDWBVHZPC-UHFFFAOYSA-N 472.590 2.726 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nccs2)C1 1722732513 LNBXRQTZCYIPPV-OAHLLOKOSA-N 457.585 2.879 30 10 JFEE CN1CC[C@@](O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCC[C@](C)(C#N)C2)C1 1729595908 HYAPJUDBVWNCPP-MOPGFXCFSA-N 465.421 2.966 30 10 JFEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cc1Br 1730127128 CRGLTRHJBGNSLO-UONOGXRCSA-N 499.435 2.640 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1740543270 LMWZSBCXBJPNFG-MJGOQNOKSA-N 450.543 2.821 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740624079 FBRZRRYVQBFZKC-JOCHJYFZSA-N 483.663 2.689 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1740625108 MJOOMUHVKDGWJA-QFIPXVFZSA-N 455.628 2.752 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1sccc1C 1740637349 ZIHKTMVTQKNMAV-UHFFFAOYSA-N 452.609 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1740650533 DLIUBBRYYNXRID-LJQANCHMSA-N 470.595 2.640 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@@](C)=O)CC2)CC1 1740692215 GMLCHAZGVSFSIM-GDLZYMKVSA-N 480.407 2.513 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1740700548 VSONAOHOEJQMGT-SFTDATJTSA-N 453.587 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](COC)OC)CC1 1740701651 NWKQCTPFEVZPKA-FQEVSTJZSA-N 485.654 2.903 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SC)C1 1740751849 PITFMNDRRZBUFK-MHORFTMASA-N 457.666 2.591 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1740757214 NIIAINMFGTUNAS-LMNJBCLMSA-N 454.531 2.798 30 10 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30 10 JFEE C=CCNC(=O)Cn1c(N2CCCO[C@H](c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876235 LHAVDTDZWGKACV-OFVILXPXSA-N 469.586 2.589 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1540878066 MWWOFXAGQHFLJB-HXUWFJFHSA-N 482.610 2.719 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](COCC)C2)cc1 1540878470 YEQYHJTVDGCAFX-VQTJNVASSA-N 460.600 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1540899716 YKQDFLNPZFDHED-GMAHTHKFSA-N 487.670 2.655 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1N(C)CCCC1(C)C 1541680777 CZHBQZZPNLDFFI-YADHBBJMSA-N 479.629 2.986 30 10 JFEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC 1545792591 GEZSNMKVKGBRMC-SFHVURJKSA-N 461.588 2.557 30 10 JFEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)Cn1ccc(C)n1)CC2 1548378088 RSQJTJOYCXDXGK-HXUWFJFHSA-N 488.514 2.573 30 10 JFEE COc1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1N1CCNC1=O 1556453681 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C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Br)cn1 1722475761 HPGZSHOODIHABA-HXUWFJFHSA-N 488.415 2.921 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1722485774 VXTLJIGZYIUVMY-KBPBESRZSA-N 459.348 2.714 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(ccnc2O)C1 1722493908 LFYPITQIYBCWHX-YLJYHZDGSA-N 454.575 2.841 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCCS(C)(=O)=O)CC1 1722579680 BRITZCZJRVDGKE-RTBURBONSA-N 454.637 2.660 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1722581181 HYGMJSYIDMCFAI-UWJYYQICSA-N 493.605 2.620 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1722657463 CBKBFKQRIRWARK-SFHVURJKSA-N 450.568 2.913 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ncc(Cl)n1C 1722696034 YTKVTNRBSLWGCV-UHFFFAOYSA-N 464.357 2.933 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3ccsc23)CC1 1722725956 VKPYBETUCINXNF-MRXNPFEDSA-N 475.644 2.724 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1722726847 IXLVODDDZIHYRF-SFTDATJTSA-N 460.600 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722727120 LVDBIXKQCJQKRQ-HXUWFJFHSA-N 493.605 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722729991 DPJLVKMDKPFUAY-GOSISDBHSA-N 463.673 2.842 30 10 JFEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)s1 1727487316 FHHWPRYZTOURMX-UONOGXRCSA-N 459.601 2.537 30 10 JFEE CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CC2)n1 1727634795 DRQYDQDNDNDMSZ-GOSISDBHSA-N 491.600 2.560 30 10 JFEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1729449373 HUEFNXDSIFPZIL-UHFFFAOYSA-N 453.432 2.892 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1740591038 MBAMLPHEQLJRFI-ROUUACIJSA-N 477.581 2.755 30 10 JFEE C#CCCCn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1740596452 GAWFKIQXVOUNOU-DEOSSOPVSA-N 453.591 2.584 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1740620261 UOGRRJBJUXQMDZ-NRFANRHFSA-N 467.595 2.782 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740620894 HFQVJXMRLWSYJB-PMACEKPBSA-N 473.618 2.975 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCO[C@H](C)C1 1740652762 MBZQGTWJEMHOSQ-WOJBJXKFSA-N 458.566 2.860 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1 1740676156 UINFZXFWKVOQRY-QHCPKHFHSA-N 482.604 2.650 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(OC2CCOCC2)c1 1740686944 YWVRQEBSWPXRBB-NRFANRHFSA-N 455.559 2.607 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cc(C)on2)CC1 1740692875 QNVAOOABQIAWJN-UHFFFAOYSA-N 459.323 2.947 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC2CCN(CC)CC2)CC1 1740700181 JAOXHOGPVSVOFH-UHFFFAOYSA-N 454.594 2.873 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1740700273 MPNAEZSSNYERBW-QHCPKHFHSA-N 480.657 2.989 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1740724965 LASUONCXBGSOPF-YADARESESA-N 481.626 2.731 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 1740763324 JWFISIDOYIKTEV-FTRWYGJKSA-N 490.402 2.912 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1740763964 SHDVXTKUBNMYBA-BWKNWUBXSA-N 483.613 2.750 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1740782680 LLTJKPQYTJLJQF-OALUTQOASA-N 499.996 2.558 30 10 JFEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCC2)C1 1740791958 CLEZHUZTTPQJSP-LJQANCHMSA-N 477.606 2.939 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC[C@H]1C 1740959114 ZZWUPNSJMVLTDW-IAGOWNOFSA-N 464.636 2.637 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1740992331 FHNQPZREIVGQLN-SFHVURJKSA-N 453.008 2.984 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1745953280 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1748944956 JVNJHMKGVDYVGE-OAQYLSRUSA-N 466.561 2.801 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1748979082 VDYGLBQIRFENTC-WATLYSKOSA-N 459.635 2.527 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](OC)C(C)(C)C)CC1 1749014101 DQPGGTZGXUDMNC-YADHBBJMSA-N 481.597 2.818 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749657632 CUSFCXYRDUEKKA-OXQOHEQNSA-N 476.984 2.587 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749725266 QGFQABAQFJIFFG-IOMROCGXSA-N 494.589 2.542 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1749735230 QEDRMSVOCSVNQI-JXFKEZNVSA-N 482.553 2.629 30 10 JFEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1750518748 GVUAZEBTTHGFLT-IETZIPDJSA-N 457.600 2.748 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OCC)c1 1760118234 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CCn1cc(C=NNc2nc(SCC(=O)NCc3cccc(C(F)(F)F)c3)n[nH]2)cn1 1084287801 SBELACNMUZXXAS-UHFFFAOYSA-N 452.466 2.894 30 10 JFEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 1154248927 FMSVTFUAGVAYCJ-MRXNPFEDSA-N 456.351 2.662 30 10 JFEE CC#CC[C@@H](CO)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 1164672527 LQRARIFQTHPVIS-SFHVURJKSA-N 451.552 2.711 30 10 JFEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C[C@H](O)c3cccc(C#N)c3)CC2)C1 1169696285 FXMPAHBUTQIWPY-FQEVSTJZSA-N 452.559 2.813 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1286390622 CRPNZZLVIOVIFP-FXAWDEMLSA-N 465.670 2.546 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286392552 IKXCQUZGTBBUMF-PZJWPPBQSA-N 486.638 2.785 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCO[C@H](C)C1 1286454118 GGTDRRQGBFZFHS-CEXWTWQISA-N 477.606 2.872 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1286461950 ABLYIUQFQHSKIZ-UHFFFAOYSA-N 471.521 2.835 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOc2ccc(F)cc2)CC1 1286490498 WUYAYOJAADLJKO-UHFFFAOYSA-N 450.518 2.847 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286505871 MNSYEESPBISHNB-DEOSSOPVSA-N 455.628 2.545 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286508686 PHVXEYBMDXTUDV-SFHVURJKSA-N 457.600 2.715 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286537510 DRJWKJRADAPQIB-KGLIPLIRSA-N 469.384 2.583 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1286553071 CNRZAXDWFJEREX-FKBYEOEOSA-N 461.651 2.948 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286561638 FQXZWGBXOWRVDL-MTXNFPGFSA-N 462.591 2.689 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1286604311 RESOWQYWJQIDLR-UHFFFAOYSA-N 454.575 2.931 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286613155 SBLQPZFSUIWQMI-UHFFFAOYSA-N 484.693 2.727 30 10 JFEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286708649 RMRCFKVHOBQSSN-OFVILXPXSA-N 491.640 2.788 30 10 JFEE C=CCn1c(N2CCCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286778126 RODDHGBBKNNUEP-DEOSSOPVSA-N 457.550 2.996 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1 1286794192 YZOVJBIFOSLHCF-MHPIHPPYSA-N 469.586 2.802 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cn2)c1 1300331691 OQTFNBHSQCISRH-UHFFFAOYSA-N 484.495 2.564 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1300365277 SGYXGIMIJPYUMO-HXUWFJFHSA-N 478.018 2.631 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1300482125 DBLBPFDYEAPJSK-RDJZCZTQSA-N 482.578 2.926 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1300488277 PYCFVPNHIUBTPO-LBPRGKRZSA-N 467.448 2.505 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300489297 LSKKBOMQKQTREV-YSVLISHTSA-N 479.400 2.924 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1300504336 MGNATXKWSXHYHJ-QFIPXVFZSA-N 479.606 2.798 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(CS(C)(=O)=O)CC1 1300602204 AJAIZBHBXJRLND-UHFFFAOYSA-N 451.390 2.992 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccsc1 1300644049 XJYUELGROBQBDP-MRXNPFEDSA-N 461.588 2.971 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)N2CCCCC2)CC1 1300688119 AYUWQRLZUWLVJV-UHFFFAOYSA-N 472.540 2.704 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2F)CC1 1300823263 ASPJJTUNRLJSJR-UHFFFAOYSA-N 463.355 2.888 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300836777 BOXCQMISWGOAFA-CYBMUJFWSA-N 475.326 2.525 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1300887730 GIBQIALCQBIZQS-VGSWGCGISA-N 495.596 2.600 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300894513 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KQEOXMDLMIJEGO-IBGZPJMESA-N 455.609 2.833 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN(CC)CC)[C@H]1CCS(=O)(=O)C1 1689998052 ANNKBNXXUGGKJG-XZOQPEGZSA-N 485.654 2.646 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1689998651 SFWGIWSCJZTWOL-GUDVDZBRSA-N 466.673 2.743 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1 1690239192 SSTODMWQOKCKQZ-PZJWPPBQSA-N 457.600 2.943 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cc(CO)nn1 1690271166 GFEJYFYGVYIAPI-IBGZPJMESA-N 474.610 2.927 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1690508656 MQRWMVQWAQELLD-IBGZPJMESA-N 475.594 2.549 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1690574289 VKNXENONNHWTSU-AWEZNQCLSA-N 477.641 2.900 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1690578375 VWHBIYYAWFZCGS-CABCVRRESA-N 458.556 2.859 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCN1C1CC1 1690995244 GFSMCJLQFKADTG-GHTZIAJQSA-N 485.658 2.808 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1691315429 HDRWOUMXBITMHK-INIZCTEOSA-N 482.404 2.650 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCCc1ccccc1 1691328403 AGIMDOSNHFWDKS-ZJCBTPCYSA-N 468.577 2.998 30 10 JFEE C[C@H]1CCCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1693660938 BPKHXGCRWMEMGD-UGKGYDQZSA-N 463.586 2.968 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(OC2CCOCC2)c1 1694314102 CESQWSDKEBFVLS-UHFFFAOYSA-N 481.601 2.938 30 10 JFEE CCC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1695044243 BCPICUMLAQSUDH-XLIONFOSSA-N 464.364 2.899 30 10 JFEE COc1ccc(Br)cc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1697320787 DTAPGFBXFZRSKG-FQEVSTJZSA-N 477.338 2.775 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705523845 ACAQVWLIGNQPPZ-KRWDZBQOSA-N 463.579 2.831 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1705562344 AFUSVCSRHKHKLG-LJQANCHMSA-N 451.577 2.748 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565919 KRAPIMCZUCEGDE-UYAOXDASSA-N 460.625 2.939 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCO[C@H]1C 1705593408 QHCQWPXMYSCGNX-YCRPNKLZSA-N 461.335 2.850 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1scnc1C 1705595118 GQTNKWFRWIFNJK-UHFFFAOYSA-N 467.624 2.709 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1705648173 PLFYSNASCKDVCO-HSZRJFAPSA-N 491.684 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 1705650145 NBNCZBJHJVQHME-UGKGYDQZSA-N 454.644 2.951 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705660469 WIFOPGSMJRMABN-MSOLQXFVSA-N 465.620 2.616 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705746742 AAAGANJQBNQPLC-IBGZPJMESA-N 467.961 2.534 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1705749512 ADAGHOHCFZAPPB-VGOFRKELSA-N 496.033 2.722 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(CC)C(=O)C1 1705811412 DCWBWZHUSSTVOF-UHFFFAOYSA-N 459.620 2.571 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC[C@@H]2OC)C1 1705919536 GJVBXGGNZNPHLV-SJBKTWHCSA-N 489.642 2.792 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 1705928764 HPUKAFBNWHDJSR-YLJYHZDGSA-N 474.556 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939385 WRIVITVQZYVQOB-PGRDOPGGSA-N 464.588 2.506 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705940088 VHSAHLCBNSFXMU-SFHVURJKSA-N 498.074 2.794 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1708632872 DZFAEBYEGXQKCH-ZWSUVBHBSA-N 493.656 2.915 30 10 JFEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722312401 AVNNNRYNDBFAQR-UHFFFAOYSA-N 466.611 2.739 30 10 JFEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1722338113 DGBSSWTULSMUQA-SFHVURJKSA-N 456.541 2.975 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371762 LKDHLMDQJGOZJQ-KCZVDYSFSA-N 472.611 2.526 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1OCCC1(C)C 1722394414 SZGDHUDTSVELNM-OAQYLSRUSA-N 458.566 2.953 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCCC1 1722413947 SZIUOPWELCPDSN-PMACEKPBSA-N 460.623 2.778 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2Br)CC1 1722430495 CWVKXWGHEBPKDH-KRWDZBQOSA-N 462.392 2.568 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722434659 UQZJKAVUWXRSFD-QGZVFWFLSA-N 491.423 2.502 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(I)cc2)CC1 1722437464 UETHKLFGAOFWFC-LJQANCHMSA-N 491.377 2.928 30 10 JFEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722462466 MXDLGKRSJQZTJQ-UHFFFAOYSA-N 452.628 2.803 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1722617213 HVEBWMMPJZUKII-NRSPTQNISA-N 475.615 2.544 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)C(C)C 1722662425 JZDHMNASKJWFQZ-XLGIIRLISA-N 486.661 2.597 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1722700573 MIWUATIHYWLLBC-UHFFFAOYSA-N 462.554 2.623 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCS(=O)(=O)CC)C1 1722718361 RMGONXZTTVDGHV-MRXNPFEDSA-N 499.431 2.932 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722737051 RCQKTGLUCKPCBP-SFHVURJKSA-N 463.629 2.690 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1722979785 FVEONRZUZKOIRD-AZUAARDMSA-N 479.585 2.775 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)N(C)Cc1ccccc1 1723925953 BCNMODRYZOFGFR-MOPGFXCFSA-N 473.647 2.539 30 10 JFEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1727892181 BLCAMTUZXFMOIM-CPJSRVTESA-N 466.586 2.755 30 10 JFEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1730444531 DCBVFPRSWVEXCC-LJQANCHMSA-N 451.575 2.827 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCC[C@H]1CO 1740538100 KPKQGSQOKXKAAN-AEFFLSMTSA-N 463.424 2.741 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1OC)C[C@@H]1CCCO1 1740590627 IPZDYGNMIKFOQE-SFTDATJTSA-N 472.611 2.788 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCn2ccnc2C1 1740637796 HZQCHTDYPNFVDO-FQEVSTJZSA-N 477.613 2.925 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1740717393 RHSKFOBSUOSCRE-QUCCMNQESA-N 459.641 2.628 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1740868831 UFIAPVDVVCEHKO-UHFFFAOYSA-N 459.982 2.679 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1740926351 VPIPRCSUROXXDV-UHFFFAOYSA-N 451.575 2.749 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCc2ccccc2C1 1740937204 VLDDUJHTAPSFFL-UHFFFAOYSA-N 466.630 2.990 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740951754 MVTVPGPPMZYUJK-QGZVFWFLSA-N 483.523 2.720 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740953742 PONCESBGJFPULN-OXJNMPFZSA-N 498.436 2.671 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1740975745 QBXKVJOPONRVCX-JOCHJYFZSA-N 450.587 2.833 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCC(OC)CC2)c1 1748577966 BGTZAGQHLPQLPV-JOCHJYFZSA-N 484.601 2.580 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1748732171 UVZJMFRKNUEGEW-NRFANRHFSA-N 471.005 2.576 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC(=O)N(C)C)CC1 1748761349 UZVHZVFCVUXPEQ-UHFFFAOYSA-N 479.412 2.788 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)coc1C 1748949721 JGQLSQKMVZDJQQ-UHFFFAOYSA-N 470.599 2.891 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2csc(C)n2)CC1 1748979398 YZDYIIRRAGHIOF-UHFFFAOYSA-N 482.610 2.734 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2=CCCCC2)CC1 1749003837 XIWTXIWWEZGECG-VWLOTQADSA-N 455.603 2.787 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749043730 JLUNAXPOTZKCPE-QFIPXVFZSA-N 488.727 2.528 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2 1749051682 LLIIPGFZSAQECN-JOCHJYFZSA-N 461.469 2.787 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCN1CCN(CC)CC1 1749071799 RXQGGTQWBCBREM-AREMUKBSSA-N 450.631 2.897 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1749135661 HKNKUEPDVXUCGT-AUSIDOKSSA-N 468.558 2.969 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749253525 QNXDZPRXUQTGDT-ZDUSSCGKSA-N 491.843 2.564 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749602343 GWZONWDZNVVCHF-KKSFZXQISA-N 466.508 2.677 30 10 JFEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749633948 SMWYGEYTFKEIIA-HNNXBMFYSA-N 461.492 2.934 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749650851 IGEOJCZCXJZCFL-PKOBYXMFSA-N 472.565 2.600 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1749682992 GACIQYMQMKIKFZ-DFPDZIMCSA-N 469.586 2.900 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1749685955 NRKJYAKOPNSVRC-JOCHJYFZSA-N 467.595 2.890 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1750980437 AJUKQQBZMVJPRL-UHFFFAOYSA-N 450.522 2.525 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C(C)C)N2CCCC2)c1 1760128396 GZZQBMUWVNNCRJ-GMAHTHKFSA-N 464.614 2.959 30 10 JFEE C#CCCCn1c(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760161511 HZFMJXJVQXRKDR-XMMPIXPASA-N 471.989 2.846 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1760183888 DJHDMKMSPMMQLJ-GOSISDBHSA-N 477.512 2.977 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1760197176 RLMMZXJNNWIEMN-UXHICEINSA-N 453.612 2.542 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@@H](O)C1 1760212535 XCQVVHUYPHBHBA-VQTJNVASSA-N 468.627 2.561 30 10 JFEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1760222840 AHWIVOSQTLEBIM-UHFFFAOYSA-N 464.639 2.506 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1noc2c1CCCC2 1760235100 BQUZGCIDVHXBBO-IBGZPJMESA-N 470.574 2.961 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC#C)CCOC 1760279861 FZMAFYQASXFBHD-IBGZPJMESA-N 461.632 2.845 30 10 JFEE C#CCSCCn1c(N2CCC(C(=O)N3CCC(C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1760286840 WTGQVZFQXWIULW-VWLOTQADSA-N 489.686 2.772 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1760300385 FGLJEKSPRXQVOC-LLVKDONJSA-N 476.347 2.638 30 10 JFEE C=C(Br)Cn1c(N(C)CC2COC(C)(C)OC2)nnc1[C@@]1(OCC)CCOC1 1760314272 KWQXMXDSPJCNIL-LJQANCHMSA-N 459.385 2.674 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1760317671 IURQEDPOJHDKJT-QMHWCDLVSA-N 488.589 2.619 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1760335260 VZOTUHRJTKUVIH-UHFFFAOYSA-N 461.574 2.839 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1760337232 OKZYJOFOUGKIJC-SFHVURJKSA-N 477.606 2.607 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1760337405 PXUJFBHABPBQBV-FQEVSTJZSA-N 479.672 2.925 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760378364 IAVFJDLAGJHGLV-SFHVURJKSA-N 471.993 2.518 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760410312 AFANJJSIRXEJDI-GOSISDBHSA-N 462.620 2.506 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1760495095 FDTQOFOBESCLTD-KKSFZXQISA-N 450.992 2.920 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760512931 ATOGOGSAYMGYIT-UHFFFAOYSA-N 465.583 2.586 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1760539753 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 1300896942 MAENFCDZUGGRSN-UGKGYDQZSA-N 454.575 2.608 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1300918329 YMVMSPJFPUESQX-VQTJNVASSA-N 478.638 2.710 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1301032878 BCEDSQYPOQIWKU-SFHVURJKSA-N 458.010 2.970 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1301176311 WJDDLVNCIPGNKM-UHFFFAOYSA-N 495.671 2.565 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 1301423715 BTRFUQSGSBWVOS-FQEVSTJZSA-N 472.590 2.863 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301482866 FBOFHHYRTJSDRA-INIZCTEOSA-N 487.511 2.999 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1301587959 BBTQYVNRCKVSSB-UHFFFAOYSA-N 471.671 2.757 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1301596644 UXJNSFVFEVBQHO-RTBURBONSA-N 468.526 2.587 30 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472.037 2.936 30 10 JFEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1359076527 DVEPOOUDPIKUBH-DZGCQCFKSA-N 460.384 2.853 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C(=O)NC 1359078285 XGPJEPCXUUPQQJ-SNVBAGLBSA-N 474.201 2.773 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1F 1359090541 COJUALPKCVLOAK-HQRMLTQVSA-N 465.595 2.688 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1359093042 JIFGWGNGRLVZAC-WIYYLYMNSA-N 460.600 2.948 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359118444 JOMIZVRDTVJLQD-QFIPXVFZSA-N 460.485 2.937 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1359187352 KKDGJYKOZRZILK-IRXDYDNUSA-N 456.595 2.660 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359228475 DWMXJTQHBQBHBD-UHFFFAOYSA-N 469.634 2.961 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cn(C2COC2)nn1 1359235652 IHVKUNUHORPLCT-UHFFFAOYSA-N 460.336 2.550 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1359263650 IGQWSFZWNCKYOY-HKUYNNGSSA-N 479.628 2.558 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1359296089 WOJBZMIORXOXSB-UHFFFAOYSA-N 490.612 2.633 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCc2ccco2)C1 1359315528 WLZPJKNHAKYRLF-IBGZPJMESA-N 452.471 2.544 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OC)C1 1359328551 HYCKNRCBMGSUNY-GFCCVEGCSA-N 461.407 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@](C)(OC)C1 1359330804 DIDCHDSITMHDEJ-QHCPKHFHSA-N 470.599 2.737 30 10 JFEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359345494 HUFQDCKUQPPDOM-UHFFFAOYSA-N 479.672 2.865 30 10 JFEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC)o1)[C@H]1CCOc2ccc(Br)cc21 1444122440 OBPWHEIOCLVLRV-AWEZNQCLSA-N 453.314 2.549 30 10 JFEE C#C[C@H](NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 1453745492 LTSJHAGZGATUMU-LNLFQRSKSA-N 454.596 2.880 30 10 JFEE C#C[C@@](C)(CC)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1468174127 VJAPVVQKQLIQPC-QHCPKHFHSA-N 457.552 2.767 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1502372203 FKZQYGKTNPRXOI-NRFANRHFSA-N 476.585 2.773 30 10 JFEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](CC(C)C)N(C)C)C1 1503760171 DNFJHOXBNLPVSL-LEWJYISDSA-N 467.618 2.667 30 10 JFEE COc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)cc1O 1504273100 BBOYJFFBVZRHSS-OALUTQOASA-N 498.584 2.884 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1c[nH]nc1C 1507536718 DOFPTFNIGOLUEO-LPHOPBHVSA-N 457.579 2.709 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccc(C)c1 1507539810 XTBHPDCUHFXBOU-TZIWHRDSSA-N 496.612 2.783 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@@H]2C(=C)C)c1 1507547494 LRWTZSMQFGXIHY-NFBKMPQASA-N 476.581 2.552 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507628088 NDQAKOBRZCLBQL-IEBWSBKVSA-N 490.651 2.875 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1507631634 RKCQMZYKZURGLC-GOSISDBHSA-N 468.583 2.521 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1507668344 BCMAKYTWYNHUMW-UHFFFAOYSA-N 478.641 2.841 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(I)cc1 1507711142 OPXQSZHJANLFBD-KRWDZBQOSA-N 480.350 2.911 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC[C@H](F)C2)CC1 1507741395 ROERYMYTVITIPJ-ICSRJNTNSA-N 469.561 2.970 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCNS(C)(=O)=O 1507769471 HZRNKKPGOLFBEM-HSZRJFAPSA-N 459.616 2.830 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1507802301 AUEDJGDDTDRDES-IIMJZQEZSA-N 481.569 2.710 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1507811376 QHXHIQLFOLQSQE-CZSZKKDXSA-N 491.633 2.826 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1507817073 NCFYJBXBWBDOMY-UHFFFAOYSA-N 465.645 2.735 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507823823 IUOHAMGKMMTYRA-PZJWPPBQSA-N 473.021 2.985 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1507832085 LZVZQFFKTDPODB-BHIFYINESA-N 489.642 2.791 30 10 JFEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507834128 ZEHNEIMDEUNRES-GOSISDBHSA-N 455.526 2.682 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1508114063 JITAPRMKEDILEF-WJFTUGDTSA-N 483.679 2.899 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC(CO)CC1 1508135460 IQZRBEIZKDUWFZ-UHFFFAOYSA-N 469.405 2.517 30 10 JFEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1508136695 UZVYBYBVGOIMJR-LJQANCHMSA-N 460.604 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](COC)C1 1508142652 AUCMEHXBKUTUJJ-IBGZPJMESA-N 450.580 2.862 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnc2n1CCC2 1509946151 FYPJMSUSLYDIFX-CQSZACIVSA-N 471.363 2.944 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C(=O)N(C)C)CCCC1 1513023165 BJCXZBOFIMIQNB-RTBURBONSA-N 479.633 2.817 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1539205403 IGGSESUIUAFWOT-VXKWHMMOSA-N 478.622 2.788 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1539225011 LECCVPDWCPEIGF-MSOLQXFVSA-N 450.655 2.700 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1539231063 SJLVBMJVBHFCQE-NRFANRHFSA-N 458.632 2.737 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1539436214 NPTAICSUCGOSRJ-GOSISDBHSA-N 462.520 2.593 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCSC2)CC1 1539490538 XFZXXLFLEZBTRT-XMMPIXPASA-N 485.679 2.713 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1539507457 XCMCRCDAJTVKSA-HXUWFJFHSA-N 485.654 2.877 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539520409 QRSQOSIQFREEKN-QFIPXVFZSA-N 470.662 2.979 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1539538139 DFKMITZBXQHRLW-YZZKKUAISA-N 457.600 2.837 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(C)C)cc1 1539538694 LRJZPBRHEQXIIX-FDDCHVKYSA-N 459.616 2.964 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539628165 ODKCJHPOLGBQMS-KNQAVFIVSA-N 488.658 2.880 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)C1=O 1539634195 NGBIQHBFKLOPNF-IBGZPJMESA-N 459.474 2.869 30 10 JFEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 1539770565 NOMDACCWNQHMMC-UNMCSNQZSA-N 489.642 2.576 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1540028213 LOJVRPNZFBWXOF-UHFFFAOYSA-N 458.925 2.987 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1540128492 MYGUFXFMHCOSPZ-SFHVURJKSA-N 462.476 2.915 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(F)c1 1540871047 BZDHCAMBORJSIQ-LJQANCHMSA-N 488.564 2.664 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C)[C@@H](C)C2)cc1 1540877974 KLVGRVSUOGMHOV-IPJJNNNSSA-N 489.642 2.706 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOCC(C)C)C[C@H]2C)CC1 1541001094 KAPOLLYUBUQUPB-BWKNWUBXSA-N 493.656 2.868 30 10 JFEE CC(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1541312632 IBWOJVXBGDCJSS-FQEVSTJZSA-N 472.615 2.555 30 10 JFEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](C)N1CCOCC1 1541362948 FZVRIWUSELSDTO-SFHVURJKSA-N 458.010 2.974 30 10 JFEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC(c3cccnc3)=NO2)CC1 1543136659 BERZWJGQOYTVLN-VQTJNVASSA-N 454.328 2.746 30 10 JFEE COCCNC(=O)N1C[C@@H](C(=O)N(C)C)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548377032 RVMMPLDNGKMNOE-IBGZPJMESA-N 481.519 2.540 30 10 JFEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1554459653 FAHCLPWBMAEQOM-UHFFFAOYSA-N 459.554 2.719 30 10 JFEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC(C)(C)C2)cc1 1554891224 BXJJOMRADVWVCE-DEOSSOPVSA-N 456.566 2.625 30 10 JFEE C#C[C@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)c1ccc(F)cc1 1556730424 NLQYQHSNFDVOTN-QFIPXVFZSA-N 454.527 2.699 30 10 JFEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2C)nn1 1557105886 XSZSMUTURSMUDO-UHFFFAOYSA-N 455.540 2.902 30 10 JFEE C=CCC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1558422249 YFAZIOQQFROTHR-HOTGVXAUSA-N 456.992 2.681 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCOCC2)c1 1587690116 ZWDVSJKKYFUYRN-UHFFFAOYSA-N 480.956 2.591 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1587813291 LGACTRFPSXCKPG-UHFFFAOYSA-N 479.610 2.695 30 10 JFEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1587872878 YBYRELBCNCVXCX-QHCPKHFHSA-N 462.642 3.000 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587926946 NCBBIGPXVKZHHJ-OAHLLOKOSA-N 470.379 2.606 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1588064575 KUIZUNHTVOKPKZ-GOSISDBHSA-N 470.624 2.519 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccc(F)cc2c1C 1588181322 RFVZDTUQFATBDW-MRXNPFEDSA-N 457.531 2.593 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1nc2c(s1)CCCC2 1588185537 IIGWOKXVHIFWBR-DEOSSOPVSA-N 453.612 2.971 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCn1cc([C@@H]2CCOC2)cn1 1588253990 MAMTWIOPMBJITG-HXUWFJFHSA-N 462.529 2.860 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1NC(=O)CC1(C)C 1588581400 PRAOEILEYOCDKH-QGZVFWFLSA-N 460.376 2.708 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1588694765 CORRFQZVYLNGGI-GXRSIYKFSA-N 461.651 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)cc2Cl)CC1 1588930242 QTZLFQSSXBAFNH-GOSISDBHSA-N 459.953 2.783 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1589288339 JOAOLRYMOWCDKF-INIZCTEOSA-N 469.428 2.846 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(=O)NC 1589481753 BZDCLXDJOOXREQ-WIYYLYMNSA-N 454.575 2.701 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1593741268 LMZDDVHDPXCFBT-IRLDBZIGSA-N 474.650 2.682 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594478484 RCDZXJNSVBVRRV-UHFFFAOYSA-N 480.613 2.827 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)cc3)CC2)cn1 1594753760 DJJQMOLDIHOZQM-UHFFFAOYSA-N 451.328 2.923 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1595127157 GUFANYBGXUCEFM-RBUKOAKNSA-N 496.509 2.824 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1595523220 RTRCQEQIROJBQF-UHFFFAOYSA-N 473.459 2.627 30 10 JFEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595889875 AVUZOXXLFFJJSQ-HXUWFJFHSA-N 472.590 2.694 30 10 JFEE COc1ccc(CN2/C(=N/c3ccc(Cl)cc3)S[C@@H]3[C@H](C(N)=O)C[C@H](O)[C@H](O)[C@@H]32)cc1 1614586313 XBBDJNKURVJJHD-UNRJUVROSA-N 461.971 2.549 30 10 JFEE C#Cc1cccc(N(C)CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c1 1615451055 JYYZGXOYYLHCMY-UHFFFAOYSA-N 454.596 2.983 30 10 JFEE C=CCc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)cc(OC)c1OC 1621709574 YUWSPINTGPXMAO-UHFFFAOYSA-N 450.469 2.606 30 10 JFEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)COC)ccc1Cl 1635124890 AJOFXFMWLGSVJQ-QGZVFWFLSA-N 456.923 2.598 30 10 JFEE COc1cc(CN2CCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)cc(OC)c1OC 1644715791 GGXZMNMWKPIQDO-INIZCTEOSA-N 456.543 2.939 30 10 JFEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)CC1 1645781181 FGUVNXIAADCTBG-KRWDZBQOSA-N 455.555 2.793 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 1671489800 BHORCLKGPVGDFC-NUEKZKHPSA-N 453.337 2.541 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC(C)CC1 1689831225 HNWXIRRCIHFTII-SFHVURJKSA-N 457.648 2.736 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1689897764 HSGQGKGGAOJAQX-VWNXMTODSA-N 477.657 2.884 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1690054823 IZIBAJGOPMNESG-NRFANRHFSA-N 476.581 2.960 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1690105968 GGUOEQPZCLBYSB-UHFFFAOYSA-N 457.600 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCOCC3)cc2)CC1 1690136383 CSZVRTNCGVPKAS-HXUWFJFHSA-N 464.614 2.642 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCn1cc(Br)cn1 1690211264 XDBVOFIUAGETON-HXUWFJFHSA-N 457.380 2.791 30 10 JFEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690354076 DKVAFQCESMVOOL-UHFFFAOYSA-N 497.987 2.829 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)CC[C@H]2C)cc1 1690680205 LWSBBHOCENMNAS-KNKQGSTJSA-N 489.642 2.849 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCn2cnnn2)C1 1690688332 SQYSLIRMXCMHAC-QGZVFWFLSA-N 459.352 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690717589 KDBRXQRJEDHDHQ-QGZVFWFLSA-N 480.034 2.892 30 10 JFEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N2CCSCC2)c2ccccc2n1 1692977462 GLDYZUGSRBBSQF-SFHVURJKSA-N 499.666 2.919 30 10 JFEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(CCN(C)C)CC1 1693689210 AANVYEQVXGWQTL-HXUWFJFHSA-N 451.619 2.991 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@H](C(F)(F)F)O1 1693781932 BPZFYNSCAXMZSG-KBXCAEBGSA-N 460.464 2.734 30 10 JFEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1695850186 BBUMORZUGKMYFY-VQTJNVASSA-N 452.559 2.602 30 10 JFEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)CN2CCOCC2)cc1 1697401872 GIVXRHCVFKHTEP-FQEVSTJZSA-N 452.603 2.780 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1(N2CCOCC2)CC(OCC)C1 1705496328 DQOVISIGFRLBRH-NBPOQWHHSA-N 467.614 2.605 30 10 JFEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705521281 WOPWAGNPAJZQLP-UHFFFAOYSA-N 488.596 2.909 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1705561236 RIUDEYRWTWPKKF-IRXDYDNUSA-N 464.563 2.609 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705564279 AMFRPSUJKDRSAR-INIZCTEOSA-N 463.485 2.967 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705564347 BTCFLZRYRVKYBK-WOJBJXKFSA-N 474.652 2.900 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN(C)CC(F)(F)F 1705575109 AWOAHVVHAHTULQ-UHFFFAOYSA-N 457.298 2.613 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1705606213 YCGJPWZWANGHJX-RUZDIDTESA-N 469.586 2.779 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nccn1C(F)F 1705622861 XNHRIAWSFQQQDN-UHFFFAOYSA-N 454.279 2.762 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N1CCOCC1 1705622973 BIUXZZXANPTVMZ-OAHLLOKOSA-N 468.421 2.576 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1705794489 KAJQPVUKJNLRCQ-UHFFFAOYSA-N 458.636 2.879 30 10 JFEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705812843 NHCDMJOBVWKDJQ-UHFFFAOYSA-N 456.978 2.836 30 10 JFEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1705887160 QOUOIYBNFONQKW-INIZCTEOSA-N 453.996 2.956 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705905540 YQRXBJXVBXABEU-QGZVFWFLSA-N 455.513 2.796 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](c2ccco2)C1 1705907966 DDOTVFNWHLQMDU-OAQYLSRUSA-N 451.527 2.893 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)c2ccccc2)C1 1705926528 GARGRMYRDOPNSG-HXUWFJFHSA-N 453.568 2.519 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1705930400 MPBLWDIDETVEMG-LJQANCHMSA-N 475.615 2.851 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1705943058 MTSNLPXGKLRURZ-UHFFFAOYSA-N 452.544 2.889 30 10 JFEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](COC)C2)cs1 1712224874 HAKSSHKVALZRFU-KXBFYZLASA-N 454.556 2.708 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722280830 WZUVJCVFAOMAMI-IPJJNNNSSA-N 470.593 2.958 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1722281653 VHPKLNVLZYGOAN-UUOWRZLLSA-N 454.575 2.966 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722325854 OXGDCXDBNVWYEU-IBGZPJMESA-N 477.569 2.773 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722327619 RJIVJEDCRBNSAR-UHFFFAOYSA-N 491.423 2.646 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccsc1 1722354435 FHUHWJWYIJRCIA-VGOFRKELSA-N 461.588 2.625 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1722429523 RZXYRUJMOJSUDI-BJKOFHAPSA-N 467.614 2.549 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1722430262 CFCFIEXNRSBCNF-UHFFFAOYSA-N 470.537 2.536 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1722439713 MVGIATKUYMQYSL-HSZRJFAPSA-N 457.626 2.930 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccc(F)cc2)CC1 1722442178 ZSSJHONMXYUETN-UHFFFAOYSA-N 480.588 2.597 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722461023 BELZCAMEGZLHCU-GOSISDBHSA-N 457.629 2.849 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCn2nc(C)nc2C1 1722465535 MZWOBDGTRPKIHZ-UHFFFAOYSA-N 488.415 2.906 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722482689 JNLRSWNECZMXNQ-SJORKVTESA-N 452.397 2.823 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722519260 TVGPXHYRDAZMLC-FQEVSTJZSA-N 473.021 2.986 30 10 JFEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1722560470 AOVZJZXZQJDHFT-DEOSSOPVSA-N 457.550 2.585 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722599660 ZNIYNSFMCPVICE-UHFFFAOYSA-N 477.529 2.912 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2cncn2)CC1 1722607162 NZKWTNRHVCXOJW-UHFFFAOYSA-N 484.630 2.670 30 10 JFEE C=CCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@@]1(OCC)CCOC1 1722621936 CVMGLKPXUXOGKT-XMMPIXPASA-N 457.623 2.569 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1(=O)=O 1722674827 UXSAFAGBSVSKEH-NRFANRHFSA-N 472.615 2.935 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(Cl)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704694 WTIPOMCNOWXMLW-GBXCKJPGSA-N 490.004 2.852 30 10 JFEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnn(CCOC)c2)cc1OC 1728848375 BANXPXOJPCDSOJ-HSZRJFAPSA-N 469.521 2.686 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2nnc(CC)s2)c1 1740562085 GFKSINHWAPZXKM-QGZVFWFLSA-N 465.583 2.691 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1740620080 NDKOMYBKYOTYID-GOEBONIOSA-N 499.406 2.756 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740622573 ZMWMZUXGEYUBRK-UUOWRZLLSA-N 469.611 2.615 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1c(CC)nn(C)c1OC 1740682795 JQDKNDXEUDJJDB-UHFFFAOYSA-N 459.554 2.932 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OCC(F)(F)F)CC1 1740695795 DINHVGGEMWLFLN-LJQANCHMSA-N 463.504 2.917 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740790470 ZHVDLQMRFSQDAL-CYBMUJFWSA-N 475.434 2.985 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740794794 IJTJLWBVBFFMOM-RBUKOAKNSA-N 476.622 2.652 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740850975 NIZORWPLDUUOOU-WOJBJXKFSA-N 491.662 2.560 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740948836 KJDOAJPKWVWNPN-UHFFFAOYSA-N 459.938 2.548 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)cc1 1740991649 AULLOBXCCNVORN-MRXNPFEDSA-N 469.405 2.782 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C)ccc2C)CC1 1740994757 SZYWQOJDDAUXDH-UHFFFAOYSA-N 497.669 2.684 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC1(C)CC1 1741933819 GTRMHGMFWCVRJN-LJQANCHMSA-N 485.658 2.662 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1745947206 DPXXJXFNDPOAAS-VQTJNVASSA-N 468.583 2.726 30 10 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30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539524631 LHWTYKJQAQCOQQ-JOCHJYFZSA-N 480.663 2.645 30 10 JFEE C#CCSCCn1c(N2CCCN(C(=O)OCC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539530878 OCZLWXLDWFLREY-XMMPIXPASA-N 493.674 2.990 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539759959 PITPIPYLCHKWKM-ROUUACIJSA-N 483.635 2.566 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 1540037646 OHMCGMMCZKAGLW-RTBURBONSA-N 465.595 2.794 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)nn(C)c1CC 1540054863 WVWBYNOIYOODLT-UHFFFAOYSA-N 471.631 2.724 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCO[C@H]1C 1540129219 SVFDLWDZHPZIQG-NBGIEHNGSA-N 461.570 2.744 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(S(C)(=O)=O)CCC2)C1 1540896098 GNMJUXLEWYBYBJ-GUDVDZBRSA-N 466.648 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C 1540901266 YEVMINRRJQSJAA-IBGZPJMESA-N 458.563 2.932 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccc(C#N)o2)CC1 1540997995 KPGZENXKOPSCQU-UHFFFAOYSA-N 485.342 2.801 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1 1543886275 XFEXSSMWFLBOAW-PKOBYXMFSA-N 451.589 2.964 30 10 JFEE CCC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1 1546153228 HHSJHNJRXHNDNR-UGKGYDQZSA-N 454.596 2.738 30 10 JFEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccccc1 1548372677 TXWONAYRZZEVJR-LJQANCHMSA-N 466.485 2.545 30 10 JFEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cnccn1)CC2 1548379219 JLLBGNGEPCTDLL-LJQANCHMSA-N 486.498 2.814 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 1548397469 WUURXDWANHFERE-ZWKOTPCHSA-N 474.487 2.651 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1552911651 IEWBAMKWXHRIEO-KRWDZBQOSA-N 472.958 2.567 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1587641088 XGTXSHXPTGTXHG-AZUAARDMSA-N 488.633 2.836 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)c(F)c1 1587667963 PRBWIBPUMCRKFI-KRWDZBQOSA-N 482.585 2.752 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1587702279 SBSPWDGWYJZNBR-QHCPKHFHSA-N 470.961 2.696 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588029112 DHIIVOUIFMWZCS-RTBURBONSA-N 491.658 2.818 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1588053056 ANVNYUYQYOKIDG-IEBWSBKVSA-N 480.537 2.796 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1588059857 WKFFTWSJOBNLLA-OAQYLSRUSA-N 469.611 2.644 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589357768 HLVQIFIXDCAQNB-UHFFFAOYSA-N 479.398 2.983 30 10 JFEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1593672033 YVOKNIHYTREYIE-LJQANCHMSA-N 452.603 2.785 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 1594732973 KFLVRMXAIMICSQ-GHTZIAJQSA-N 475.615 2.580 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnnn1C 1595149325 NAETXMAYANTJHV-UHFFFAOYSA-N 469.596 2.780 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1595297539 SIFWSNWVOCUTMO-KOSHJBKYSA-N 479.622 2.571 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595497126 QMGZBNAICWMADR-OAQYLSRUSA-N 467.492 2.786 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1595523318 SYDOSEVTNALSDE-QGZVFWFLSA-N 471.606 2.715 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccc(OC)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602904 ULQCSMUVZUNRRM-NBGIEHNGSA-N 469.586 2.623 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(C)ccc21 1595760811 UFUOZUBQSZQXNL-UHFFFAOYSA-N 452.540 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1595784962 PBUTWNPZIQSKDP-UHFFFAOYSA-N 496.424 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1595823225 MBFNTMBVKVYJCA-CQSZACIVSA-N 491.561 2.649 30 10 JFEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)CCO1 1619753339 BLZWIEJZQLNGNB-REWPJTCUSA-N 468.602 2.701 30 10 JFEE C#CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1 1626740419 LJPIIRJPKAJYPK-UHFFFAOYSA-N 455.367 2.540 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccnc1N1CCCC1 1632611631 GEXWOAUNKYHLTB-IBGZPJMESA-N 455.584 2.596 30 10 JFEE C=CC[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)C1 1654348334 OJYUGPTZEQNOCM-RBYWHNRPSA-N 459.568 2.754 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3cnn(-c4ccc(F)cc4)c3C)CC2)c1C#N 1677760881 GNMYWHVOBKAQOQ-OAHLLOKOSA-N 450.522 2.826 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[S@@](=O)C(C)(C)C)c1 1689871655 BDXNHPYSPNEIIJ-AONNBLCTSA-N 471.627 2.776 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCC(OC)CC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689979675 FXVJUOJQTSBMCF-HXUWFJFHSA-N 491.702 2.626 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)CCOC 1690089972 RUIYBYQVCDKYIA-XMMPIXPASA-N 469.517 2.572 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690146108 GCTORPPJSHTCRJ-FUPPJEDESA-N 484.689 2.894 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1690146118 GKUDURCCWUAKDM-RUZDIDTESA-N 455.578 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1690152446 LNKHHDTWIGPHAD-DEOSSOPVSA-N 494.688 2.616 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690152767 XCJRFYWDWOQHTN-OFNKIYASSA-N 479.625 2.936 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1690256579 PZUSJNUDHKWQEJ-GOSISDBHSA-N 461.636 2.724 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690265401 NZVYCLMNIFOSPI-UFYCRDLUSA-N 483.679 2.855 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(CC)nn(C)c2OC)CC1 1690380174 FPGNXPYKOCQUTN-UHFFFAOYSA-N 455.588 2.779 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1690672915 HQHPTZFDLCVGPA-UHFFFAOYSA-N 465.989 2.542 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(Br)cs1 1690675052 ONAUZRXYLBCJKZ-UHFFFAOYSA-N 478.420 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690720046 YOTPJXIZHRYMDF-KKSFZXQISA-N 476.599 2.567 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690737076 YRGHWJHXGSPXEQ-PKOBYXMFSA-N 461.657 2.941 30 10 JFEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)CN2CCOCC2)on1 1693546302 CLZCNEVOPPQTDB-UHFFFAOYSA-N 479.585 2.868 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 1705517627 ZSEWOSNHUZOMOM-OAQYLSRUSA-N 475.590 2.723 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705523550 ZSLKOULMFSQVOT-FHWLQOOXSA-N 458.563 2.890 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1C 1705534144 AJCILVGNESPGCI-LEWJYISDSA-N 457.600 2.674 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1C 1705534145 AJCILVGNESPGCI-NHCUHLMSSA-N 457.600 2.674 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705567858 BALIGOUKHCVTTR-QFIPXVFZSA-N 496.637 2.544 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1705619547 UUBKLBBEDIGKFR-XTJBDQBJSA-N 472.561 2.761 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1705642026 DAYHBUMABMAQAH-IBGZPJMESA-N 494.621 2.501 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CSCCS2)CC1 1705645696 APFOFLRXHOFMLQ-QGZVFWFLSA-N 477.059 2.808 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1705649056 IQQDZOQOZWTIRY-PMACEKPBSA-N 465.646 2.996 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1705725440 AJZGQMODDLYDNF-QGZVFWFLSA-N 451.618 2.545 30 10 JFEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1705803408 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JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1286523282 SMYZTWLOUNDHPG-OTNCWRBYSA-N 483.638 2.963 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1286545691 AKBOPLINVYUTEZ-ICSRJNTNSA-N 456.547 2.985 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1286581975 PHDYPFAZPMLTMP-OAQYLSRUSA-N 477.631 2.573 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 1286711872 QEYMQDABWYIMPR-MOPGFXCFSA-N 465.595 2.794 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1286715909 XTYRCGDTSLAQBK-HXUWFJFHSA-N 461.010 2.841 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1286749420 ROKIZSSFJXNTCO-INIZCTEOSA-N 459.597 2.886 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1286758378 LVDJRJSHJKMYDG-QZTJIDSGSA-N 474.606 2.680 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1286763438 JNOBACCZZNLGQA-UHFFFAOYSA-N 460.538 2.927 30 10 JFEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286771131 YHKZRSOQZMQGPM-KRWDZBQOSA-N 451.531 2.590 30 10 JFEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1287130943 IEPOOZDMSGTNKB-OWHZGTRUSA-N 450.587 2.966 30 10 JFEE C#C[C@H](NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)[C@@H]1CCCO1 1296701520 OMVCKPBRHSMRAT-FKBYEOEOSA-N 452.555 2.664 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1300309202 GIOORARUMYHYCJ-IAGOWNOFSA-N 478.594 2.569 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1300310915 PUWMUMANEMEQFH-IEBWSBKVSA-N 457.579 2.640 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCC[C@@]3(CCOC3)O2)c1 1300336426 IAXAECXEBIYSKK-BWKNWUBXSA-N 467.570 2.599 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300423351 MUZQTQLQRWHBSG-JOCHJYFZSA-N 450.543 2.981 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300481473 ANERZZMQUSFNHR-MJGOQNOKSA-N 475.684 2.852 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CC1(c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300496055 NIKPQMATXINEBX-JOCHJYFZSA-N 470.639 2.852 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1300504335 MGNATXKWSXHYHJ-JOCHJYFZSA-N 479.606 2.798 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301482493 WMSLHWCAZULNNR-SJLPKXTDSA-N 496.033 2.614 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1301530254 QZBUALIUXIDTFF-FDDCHVKYSA-N 477.631 2.897 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)C(C)(C)C)C1 1301545320 FKGMUQIQMLVKKO-MRXNPFEDSA-N 453.996 2.988 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCCN(CCC)C(=O)C1 1301578075 RJEOLYHAHYVKHL-UHFFFAOYSA-N 466.007 2.648 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1301578498 CHNFWXRBSCVCAW-UHFFFAOYSA-N 479.566 2.616 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301609124 CUFBXJAJVANMMY-LPHOPBHVSA-N 454.600 2.972 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C#N)CC1 1305640498 HENOVMNSDMUVQY-LJQANCHMSA-N 489.628 2.643 30 10 JFEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1306293068 DJMZDUKPRYBUFR-DFQSSKMNSA-N 472.615 2.778 30 10 JFEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1358909721 PJRGEVBOSLVYAU-VXKWHMMOSA-N 463.630 2.770 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358958892 XXINXURZRCKVMY-OFNKIYASSA-N 480.638 2.708 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1358959575 LRMFNXUOQSNVCC-NLFFAJNJSA-N 498.605 2.698 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963384 HBENEQFVRYQWTK-LEWJYISDSA-N 474.652 2.732 30 10 JFEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(=O)N1CCOCC1 1359012158 BAEXBFXEAKZGHV-UHFFFAOYSA-N 459.978 2.570 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2cccc(C)n2)CC1 1359047542 KSCJYFRWKSOMFC-UHFFFAOYSA-N 476.556 2.908 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1359057166 UFSASJMXHCPSBU-INIZCTEOSA-N 477.993 2.903 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359082354 GGCHWVAMXDYRIF-GJZGRUSLSA-N 483.411 2.831 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359094321 ZNJJPGFGBHOSGS-IFMALSPDSA-N 484.626 2.706 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359150509 AAIFQUDIRBPYTP-HZPDHXFCSA-N 474.027 2.768 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1359185333 SMBYJRCIOLPOOQ-UHFFFAOYSA-N 463.604 2.646 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1359254923 IAZQMPYUPHWWSY-SFTDATJTSA-N 473.643 2.866 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1359267642 MVARRGXLHVTNRJ-YKSBVNFPSA-N 487.626 2.712 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCO[C@H]1C 1359279514 JMPADNQXWFKTCW-BTYIYWSLSA-N 481.391 2.895 30 10 JFEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1359286298 GYUFTWSLMURTLQ-UHFFFAOYSA-N 463.586 2.853 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2ccco2)C1 1359293615 VLPXXNUMNYTIPL-QGZVFWFLSA-N 475.347 2.519 30 10 JFEE CC(=O)N1CCN(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1359402537 DTUGQEUYLOTGGQ-DEOSSOPVSA-N 486.020 2.805 30 10 JFEE C#CCN1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2CC=C)CC[C@@H](C)C4)CC1 1458736858 TULFYUSOEYPFOL-MRXNPFEDSA-N 456.637 2.638 30 10 JFEE Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1463792297 CDISNUZLOYHIJP-HXUWFJFHSA-N 450.518 2.772 30 10 JFEE CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1497211667 FCQWINKFWOHUOB-GCJKJVERSA-N 460.579 2.665 30 10 JFEE CCN(CCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1502180032 ABWNNQLVCUHBLS-QGZVFWFLSA-N 455.588 2.903 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2nnc(CC)s2)c1 1507549846 QONCPXLPZVPTDI-UHFFFAOYSA-N 458.551 2.859 30 10 JFEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507565351 CYPGWABXZPXJKU-GJZUVCINSA-N 492.668 2.864 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507639597 LFLHFPUQCVXBBO-AWEZNQCLSA-N 492.520 2.876 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN(CC)C(=O)OC(C)(C)C 1507693371 AUHZLXYBGLNSRF-UHFFFAOYSA-N 460.604 2.986 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCC2(F)F)n1 1507714231 KAUNSEDMPHRQQH-LJQANCHMSA-N 489.571 2.822 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1507718617 RPCZQLADFYXHKE-KRWDZBQOSA-N 463.554 2.539 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OCC)c2ccccc2)CC1 1507740205 YKPVHLMJTASWRQ-PKTZIBPZSA-N 465.598 2.916 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1507751768 NNDXTSSARMPJIZ-UHFFFAOYSA-N 493.637 2.523 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507757339 SAVYHPYWPQDZMJ-HXUWFJFHSA-N 488.621 2.909 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1507758553 OVIXCIYWEBYCMC-QRVBRYPASA-N 488.658 2.964 30 10 JFEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507774969 FQDPRTONQQYPEX-KRWDZBQOSA-N 453.429 2.833 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1507803314 GLONWDFWFYTBQS-IMSXRSKXSA-N 453.587 2.964 30 10 JFEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507930926 LZWYWWQPCKNBOI-FQEVSTJZSA-N 454.623 2.558 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1508005917 BQWOLLUEVDSQLD-UHFFFAOYSA-N 470.593 2.843 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1508042332 CCZKZUWUZWKYAT-QGZVFWFLSA-N 453.572 2.683 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1508071674 LEHJMZGJBVMGNJ-IBGZPJMESA-N 482.585 2.611 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1508081727 NMEJMSDSLGAUPZ-SZPZYZBQSA-N 465.646 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1508135719 OGEPQYRMIQKDSX-YOEHRIQHSA-N 492.495 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](CN2CCCCC2)C1 1508135807 AYLPCVRIRAVDTL-FQEVSTJZSA-N 473.643 2.867 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)CC1=O 1509430100 DLACKDNAACCSFC-UHFFFAOYSA-N 465.602 2.519 30 10 JFEE Cc1cccc([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c1 1510596933 HUUGPXLUNQICMF-KNQAVFIVSA-N 486.642 2.853 30 10 JFEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1)S(C)(=O)=O 1515447085 HHKGUFHZCVZBDN-UHFFFAOYSA-N 495.609 2.519 30 10 JFEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CCOC1 1516177764 BBNWKUKMVLPMRC-MZLICYQSSA-N 460.623 2.560 30 10 JFEE C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)c1 1518241157 JFLKMVPLYLJUIV-UHFFFAOYSA-N 459.568 2.839 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 1527788130 SMTHHMGMKSKRBQ-UHFFFAOYSA-N 458.374 2.805 30 10 JFEE C#C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(Br)cc1 1528081715 QVIIIXUBUYSETB-AVRDEDQJSA-N 452.308 2.633 30 10 JFEE C#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)C1 1537400550 WNMNDKRFBYWDJW-HXUWFJFHSA-N 459.612 2.573 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1539046323 RBRGXVKAYXKMPQ-HSZRJFAPSA-N 485.592 2.579 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539059897 UHIHMKOWWOHLHD-IBGZPJMESA-N 487.626 2.770 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1539071784 DRIHHCCWLOPZFS-UHFFFAOYSA-N 472.597 2.991 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1539265393 FOMLEHWZAJIPDO-HXUWFJFHSA-N 497.621 2.843 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2CCS(=O)(=O)CC2)CC1 1539432132 XZXYCOQOBCXXRY-NRFANRHFSA-N 485.654 2.615 30 10 JFEE 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2.970 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCSc2nccs2)CC1 1588913550 MPAXDEKRJABQLF-UHFFFAOYSA-N 467.624 2.945 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(C)c(OC)c2)CC1 1588968852 RRMXQLRXANWRGF-OAQYLSRUSA-N 451.571 2.655 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1589150756 KITPWBKQOCCARB-NBGIEHNGSA-N 484.670 2.793 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)CC 1589198272 QXUIWEVMPYZRBR-JOCHJYFZSA-N 454.556 2.532 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](COC)C1 1589570561 VMLFZVMDZMWWNQ-JZWVFAODSA-N 458.559 2.699 30 10 JFEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1593695781 HZCXJICNLKZJLN-VQTJNVASSA-N 487.004 2.702 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(OC)CCOC1 1595070755 LKBRXFAJKKPVGZ-DEOSSOPVSA-N 455.559 2.521 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595366573 GUIJHDUTWWEJOG-IBGZPJMESA-N 468.602 2.671 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1595477737 YPPBTFNDKJHALV-KRWDZBQOSA-N 474.993 2.678 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1595577479 UEJXNRCAZLTENP-IBGZPJMESA-N 465.558 2.618 30 10 JFEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1595884014 FMZWFBNZMRFWFD-DLBZAZTESA-N 453.609 2.731 30 10 JFEE COC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)OC(=O)/C(=C/c1ccccc1C)C(C)=O 1615946584 PGKMCZICHOZCKG-VVKCQPJDSA-N 473.547 2.728 30 10 JFEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CCOC1 1619061673 DONVMBQVKILYTN-JTSKRJEESA-N 494.518 2.607 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc1 1629272559 YLNDXFFSUFOMQB-UHFFFAOYSA-N 459.531 2.838 30 10 JFEE C#CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385264 OZGYQCYAWSEMJG-UHFFFAOYSA-N 459.503 2.578 30 10 JFEE COCCN1[C@@H](C)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C[C@H]1C 1659159346 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30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539211953 MBIQLMMOLAJTTJ-GTCCEBARSA-N 463.003 2.776 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1539216953 YENFYCQQVRNYMB-QGZVFWFLSA-N 459.959 2.610 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1539224566 IJVXACOZNPJGEO-IBGZPJMESA-N 473.599 2.756 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2COCCO2)CC1 1539470348 MWLCEJYQJPMSRI-QFIPXVFZSA-N 465.598 2.624 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1539592605 HWCFHGHCFKXMTK-UHFFFAOYSA-N 464.274 2.997 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)C1 1539624529 TYHMQEGEVDUSSY-PGRDOPGGSA-N 455.559 2.658 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1539751716 SKAQXAFGULEALH-REWPJTCUSA-N 479.647 2.530 30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1539752575 SAOCXVBTYOTDCK-UHFFFAOYSA-N 452.519 2.803 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1540164557 RTLYAAWQZRMUBN-JOCHJYFZSA-N 477.613 2.727 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1540867333 RWYOAVWGRJEWCG-LJQANCHMSA-N 475.597 2.928 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1540869655 TUQDQVLVCSZMBH-UHFFFAOYSA-N 487.608 2.622 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1540912748 BVQVHZFJSDKVLZ-UHFFFAOYSA-N 481.626 2.557 30 10 JFEE Cc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)C(C)C)CC2)n1 1542179359 COMYQKCPWCTOAF-UHFFFAOYSA-N 459.602 2.890 30 10 JFEE CCc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)s1 1546257634 GWKYLJYZBYFSIP-UHFFFAOYSA-N 459.597 2.882 30 10 JFEE CCS(=O)(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)NCC1CC1 1548379129 CKKFYFBOAOVBSO-HXUWFJFHSA-N 498.571 2.971 30 10 JFEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1554482636 FSOLAHSBCJVJQW-UHFFFAOYSA-N 477.594 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C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(c3ccccc3F)C2)C1 1595664801 KFYVVJPCWQGXAZ-MOPGFXCFSA-N 456.566 2.863 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1595884959 XPIORNFGCDNRRI-LPHOPBHVSA-N 483.635 2.867 30 10 JFEE C#CCN1CCC(NC(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)CC1 1596610737 VXQOCRDDVVNYLK-UHFFFAOYSA-N 456.266 2.876 30 10 JFEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CCCC1 1617651493 GPAHBBQRDKIFFA-UHFFFAOYSA-N 485.658 2.551 30 10 JFEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](c3ccccc3)[C@H](CO)C2)CC1 1620411499 AIRDNNUFQVLZDF-ICDZXHCJSA-N 450.558 2.633 30 10 JFEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@]2(CN(Cc3ccccc3)C(=O)CO2)C1)C(C)C 1628517212 MUOPCQVSQBPWRZ-ZEQKJWHPSA-N 454.615 2.898 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1630737749 YRCIPYOFRGXYJC-UHFFFAOYSA-N 454.552 2.532 30 10 JFEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1occc1COc1cccc(C#N)c1)C2 1635277821 FDCGONGKIZHSCM-UHFFFAOYSA-N 451.504 2.837 30 10 JFEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1Br)C(=O)OC)C(=O)OC(C)(C)C 1639983249 VYXCWKDILGNWKE-INIZCTEOSA-N 453.333 2.520 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)c1 1640516558 TTZNGXHEYMVRAT-UHFFFAOYSA-N 451.932 2.767 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c1 1647899610 RVYZQHKZNDFFFY-UIFIKXQLSA-N 464.971 2.725 30 10 JFEE CCOC(=O)c1sc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1C(C)C 1650891371 ALMSBZPWTMXWDW-UHFFFAOYSA-N 450.542 2.511 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)cc1Cl 1668795122 GMQIMRYXWMGISP-MRXNPFEDSA-N 454.733 2.836 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCN(c2ccccc2OC)C1)[C@H]1CCS(=O)(=O)C1 1689991782 CHXWHSOBLOSRGE-RTWAWAEBSA-N 485.654 2.638 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(OC)nc1 1690017897 OBBCMODHVLIIEC-HXUWFJFHSA-N 464.570 2.917 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(F)(F)CO1 1690017970 PYUXDBLUJXBTJG-MSOLQXFVSA-N 463.529 2.890 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690104416 WBHZMOWEAZSHDL-PLACYPQZSA-N 491.633 2.876 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1690124989 YGMDGVZLXXKDBN-MOPGFXCFSA-N 499.534 2.557 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690185893 IDXZZNQXRYGWQI-JSXRDJHFSA-N 461.676 2.720 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1690189002 SISGMFNGWMJWKS-BKMJKUGQSA-N 464.614 2.790 30 10 JFEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690227583 CDAJGYHSHRQSMG-UHFFFAOYSA-N 465.440 2.979 30 10 JFEE C=C(Br)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690233557 KLAXXZUMGMLJTM-SFTDATJTSA-N 484.439 2.528 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1690288122 IZZBPTZBHPLGFY-SFTDATJTSA-N 493.605 2.512 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCS(C)(=O)=O)CC1 1690404480 FUIKJSBHQKYWCB-UHFFFAOYSA-N 470.603 2.538 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690432456 DPWYOOLFTXIMIW-HKUYNNGSSA-N 462.620 2.577 30 10 JFEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(F)F)CC1 1690736054 ROHKTMWWTIOBJE-UHFFFAOYSA-N 499.657 2.853 30 10 JFEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OCC(F)(F)F 1694778912 FVUQSBWYQVTEMY-SFHVURJKSA-N 485.470 2.916 30 10 JFEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1)OC 1695114588 CKHPGWJGODCEJX-HXUWFJFHSA-N 456.547 2.822 30 10 JFEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCn2cc(C)cn2)c2ccccc2c1=O 1695396679 CRTTZFKKNRKRCD-KRWDZBQOSA-N 459.558 2.866 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C)s1 1696487970 HZIUPQNNTQMVLV-UHFFFAOYSA-N 473.628 2.890 30 10 JFEE CN(CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1696811131 DBUPTZHQKPRVQS-MRXNPFEDSA-N 460.464 2.558 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1705524247 IEDDZRTTZYFXAC-QAPCUYQASA-N 496.431 2.642 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1705562242 ZHLSQIPYXRQXCJ-FQEVSTJZSA-N 455.971 2.977 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705567078 TZPRSLHARJQYJI-QGZVFWFLSA-N 473.986 2.805 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705567362 XEGOJEUDWPGKOQ-QGZVFWFLSA-N 491.564 2.735 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](OC)C1 1705653372 GIDYNGBSMDCALK-QGZVFWFLSA-N 462.645 2.528 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705660324 RZXIYJGNYBWGLI-LJQANCHMSA-N 453.612 2.562 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1705668830 VCISRQGURKYMDU-ZDPRRSKRSA-N 457.600 2.813 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705692067 YHXRTGIPYGEEPM-SJLPKXTDSA-N 479.375 2.743 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705737700 AIIHWVBGAWEUED-UHFFFAOYSA-N 476.622 2.829 30 10 JFEE C=CCCCn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1705820220 GEILFHOQVGLUIE-QGZVFWFLSA-N 467.636 2.715 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1705861162 VZNVIAOAQXFTLC-UHFFFAOYSA-N 477.613 2.576 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705890243 GLBOLDAUSBHEEH-SFHVURJKSA-N 484.605 2.704 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705898772 XDJTVDKIGKHIFZ-AWEZNQCLSA-N 486.926 2.982 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705903917 ZGDFSYUWVCOXAY-KRWDZBQOSA-N 484.967 2.935 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(OC)nc2OC)C1 1705920080 PPMQHAKYLIYDDM-LJQANCHMSA-N 499.593 2.590 30 10 JFEE CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1706365377 HITPDBFKKLXCRG-CTNGQTDRSA-N 482.608 2.543 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H](C(C)C)N2CCOCC2)c1 1722305721 KZAQCAXUELEUPT-QFIPXVFZSA-N 466.630 2.989 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1722360476 IBPDWEZFSDLAMF-QGZVFWFLSA-N 459.959 2.632 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722363812 VTNQIIFXJJBTAK-FCHUYYIVSA-N 499.681 2.948 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccnc1OCC(F)F 1722383100 GNWJUXHQMRSZTO-HXUWFJFHSA-N 465.460 2.951 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COc2ccccc2O1 1722413506 MZJHOJCSGQFQNO-OALUTQOASA-N 483.569 2.886 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC[C@H]1OC 1722424205 FXDLNLDDSAKLAZ-QFBILLFUSA-N 463.376 2.845 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(C(C)C)C(C)C)CC1 1722433575 ANDKWHYZZBFHIN-UHFFFAOYSA-N 454.619 2.836 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1722438973 JIZPVHVRYVAELG-UHFFFAOYSA-N 460.582 2.865 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCCCC1 1722448337 QLRORKSVSDRITH-UHFFFAOYSA-N 477.613 2.543 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1722453132 OKQOBOWVFNIPHV-NRFANRHFSA-N 471.602 2.970 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@@H](C)CC 1722473305 CMZVXKYIKUJTIM-UQBPGWFLSA-N 464.618 2.749 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722507791 GQRBOSXCBBKNRS-LSWJPFSZSA-N 474.005 2.845 30 10 JFEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)s1 1722537205 MJNKLPHRNUNYFD-MRXNPFEDSA-N 490.051 2.555 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1722554359 DMNKVSUBJGWEOO-INIZCTEOSA-N 460.387 2.653 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722588562 WUTAYHZZZMUNQH-QGZVFWFLSA-N 480.704 2.786 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1722588751 ZDXSLMUBHOZKQR-IBGZPJMESA-N 481.663 2.753 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1722639000 VQVZENHDOQBMKJ-YLJYHZDGSA-N 452.559 2.910 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1722660208 PEQORVWKWHFQPF-SFHVURJKSA-N 477.606 2.674 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1722673474 SXHZNIYYBHMVHD-PKTZIBPZSA-N 485.654 2.674 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C1 1722722572 PJPZCPXEGKSEDW-ZJSXRUAMSA-N 468.627 2.947 30 10 JFEE CO[C@H]1COCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730412066 GVQSOSBEPMCXHE-PKTZIBPZSA-N 452.603 2.722 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCC(=O)N1CCOCC1 1740535340 PNWMDPCQTAEJGX-RBUKOAKNSA-N 455.559 2.524 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)c1 1740562298 IFYXJBMXQTWXOU-QFIPXVFZSA-N 474.613 2.855 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)NC2CCCCC2)c1 1740562332 MMVQAISFVDZJLX-UHFFFAOYSA-N 471.565 2.845 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nc(C)ns2)CC1 1740579854 UYAZCLUGMFLYLU-OALUTQOASA-N 459.620 2.682 30 10 JFEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OCC(F)(F)F)nc1 1740608592 HNGLAODYJKAIJB-UHFFFAOYSA-N 462.432 2.654 30 10 JFEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1740623058 NJYHVBYPTXDGME-QGZVFWFLSA-N 466.567 2.577 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCCO[C@H](C)C1 1740631126 PZKSBPUTXMCQKC-QGZVFWFLSA-N 459.392 2.609 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(CC)S(C)(=O)=O 1740633050 SXJYUVNJYWAOOW-UHFFFAOYSA-N 464.595 2.546 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(F)ccc1F 1740640717 UUQYWAWXZYTXSK-FQEVSTJZSA-N 471.508 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1c1cnn(C)c1 1740650992 VQJQCVUXASBRML-HXUWFJFHSA-N 473.581 2.828 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C 1740677851 SURCHXAKRORTJV-HXOBKFHXSA-N 477.606 2.608 30 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485.654 2.757 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588029961 NHCCEYDRUMFXJS-MSOLQXFVSA-N 460.600 2.678 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1588053718 HPBAWALVQFWHEF-IEBWSBKVSA-N 466.966 2.987 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1588058723 BEACVTZDGMASIB-UXHICEINSA-N 465.019 2.964 30 10 JFEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1588058759 BWEZRMDAFMEKRZ-PXNSSMCTSA-N 476.624 2.561 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588059768 URRVGTGUTUQEKN-MOPGFXCFSA-N 491.608 2.506 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(=O)N(C)C)CCCC1 1588094329 ZSQKNKHOOHGYHE-UHFFFAOYSA-N 457.376 2.757 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(SCC)c1 1588200274 JYDLTMGMKWJRLG-UHFFFAOYSA-N 469.578 2.939 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCC 1588233549 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30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1-c1ccccc1 1594962098 HXOIQBDLTBRNDV-LJQANCHMSA-N 480.573 2.838 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1595166537 URCZPHDFTBOJES-FYYLOGMGSA-N 478.645 2.903 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCN(CCC)CC1 1595490709 XWSVFGIMXOIDDV-UHFFFAOYSA-N 478.439 2.659 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1595522757 JTFWQAXSQXOIAH-LJQANCHMSA-N 483.370 2.983 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1611285765 ABMXROZXYVCSHR-MWOWJKGTSA-N 451.556 2.591 30 10 JFEE CCn1c(CN2CCN(c3ccccc3C#N)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 1615378722 CLVQLYYQZMHGIX-UHFFFAOYSA-N 452.584 2.500 30 10 JFEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@H]1C 1615871646 DMPZXNKUFRXGET-KNQAVFIVSA-N 465.602 2.518 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccs2)C1 1615972410 CNPRHWRHURLKLU-IBGZPJMESA-N 456.597 2.639 30 10 JFEE 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1722298266 AOXLJWXLJSDJSL-IRXDYDNUSA-N 462.392 2.798 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722327779 NWCUTSINEJMHAC-WOJBJXKFSA-N 476.585 2.980 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1722365410 NUTAJIUUEZZBES-NRFANRHFSA-N 456.612 2.537 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722369734 FLPLLJGADXNBGI-YTFSRNRJSA-N 485.654 2.839 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722371174 UMNVVRUOQNHDHS-DHIUTWEWSA-N 499.681 2.913 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722386474 ZLMRKZPLLIWIOA-WIOPSUGQSA-N 450.539 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1722392286 JOKOJINVZCPBEY-SANMLTNESA-N 461.566 2.826 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(SC)CCOCC2)CC1 1722432923 JERRASCYZSULAR-UHFFFAOYSA-N 493.475 2.714 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@H]2CCOC2)CC1 1722434755 ZEWQWMPDVQJLHM-HNNXBMFYSA-N 450.406 2.951 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCOC1 1722479519 GWERVBYVJIWZQT-HNNXBMFYSA-N 484.420 2.577 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1722485775 VXTLJIGZYIUVMY-ZIAGYGMSSA-N 459.348 2.714 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(N)=O)CCCC2)CC1 1722576997 YOCCXTJMYDQZFI-UHFFFAOYSA-N 457.600 2.797 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1)C1CC1 1722650686 INJSBEZQWPZXTK-OAQYLSRUSA-N 457.600 2.652 30 10 JFEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 1722705305 WWAVYAUGBSMRMA-UHFFFAOYSA-N 480.613 2.708 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCC(F)F)C1 1722714972 QGAYFBCDJNYAGX-INIZCTEOSA-N 458.469 2.763 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SCC)c2)C1 1722718241 HQVXPDTUWFETCJ-MSOLQXFVSA-N 463.629 2.517 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCS(=O)(=O)CC2)C1 1722723221 WXMVODGZJALGHJ-VAMGGRTRSA-N 466.648 2.803 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1728633243 HXDPJCKMKIXZOY-HFZDXXHNSA-N 483.636 2.787 30 10 JFEE CCOC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1728692865 BBXBXSWPKAMRII-UHFFFAOYSA-N 492.584 2.991 30 10 JFEE CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1728718918 BSNLANCKWCCICU-UHFFFAOYSA-N 465.602 2.918 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CSCCS1 1740538207 FHAGGWYYZJBMMV-WBVHZDCISA-N 465.670 2.502 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 1740617383 QHHKZMVBKWIUTN-QGZVFWFLSA-N 498.390 2.681 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740619510 JLBUUCNSPPWUEQ-INIZCTEOSA-N 488.017 2.620 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1740622148 VPYLIMONMQZUMX-NZQKXSOJSA-N 485.997 2.528 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@]1(C)OCCc2sccc21)[C@H]1CCS(=O)(=O)C1 1740625487 FYUHUCWEVXNGMD-HTAPYJJXSA-N 462.641 2.653 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCCS1 1740629938 BPNWKKOBILXXNT-QFIPXVFZSA-N 457.625 2.554 30 10 JFEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740668531 PKEZKPHVYVTPIX-QZTJIDSGSA-N 463.586 2.941 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccs1 1740679906 MLGHQRQGARCREM-UHFFFAOYSA-N 458.613 2.742 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740700041 DDARYOYOUMDVQN-UHFFFAOYSA-N 472.565 2.618 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)CC1 1740839412 JEZRUWNLWILNHZ-INIZCTEOSA-N 453.515 2.627 30 10 JFEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740875275 YETFCUDKUFFJKA-UHFFFAOYSA-N 492.628 2.941 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1740887646 KVHLHWKVZOZHBQ-OAQYLSRUSA-N 473.643 2.716 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1740898890 ZUYBWUPWPUHTKE-INIZCTEOSA-N 453.609 2.592 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1CCOC[C@H]1OC 1740920046 BDLWIUSNCRZXRX-TZIWHRDSSA-N 457.550 2.784 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1740935100 BORKXRRRMRUXEU-SFHVURJKSA-N 458.613 2.624 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCN(C(C)=O)CC1 1740938318 CINCPCPNAKACMS-UHFFFAOYSA-N 464.973 2.541 30 10 JFEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC(F)(F)F)C1 1740940815 TZLBDUHYJDHFJX-HNNXBMFYSA-N 470.496 2.529 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2ncccc2N(C)C)c1 1748694361 GHOXQPFPNZAMAJ-UHFFFAOYSA-N 480.576 2.829 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1748773171 TVJSLQUTBMVQDS-USEFPYCQSA-N 471.577 2.897 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1748808206 BFSCOHYQJKZRAT-XBMUEBEBSA-N 460.575 2.916 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1748808666 FSYGSQDMVLOKSE-WOJBJXKFSA-N 491.061 2.885 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1748809435 MYVFWECRGKDQTP-GOSISDBHSA-N 490.029 2.532 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CSCCS2)n1 1748970638 MFZHWPKMORRGEY-FQEVSTJZSA-N 469.640 2.671 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H]2CCCCO2)CC1 1749003237 CDKUUUJDWUDEQD-NRFANRHFSA-N 481.597 2.887 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](OC)C2CC2)CC1 1749015661 IOQDWOGCWODAKP-JOCHJYFZSA-N 451.571 2.556 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749024265 LCUKTVUIPVWCTG-NHCUHLMSSA-N 458.584 2.713 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749037364 BTAGTYYMOVPLRQ-UHFFFAOYSA-N 487.580 2.917 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1749125466 VHJNONIRXJBBHX-GBXCKJPGSA-N 499.612 2.629 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](COC)C1 1749137010 VSHSTDCDYNXEGD-SFLYRZDNSA-N 456.587 2.905 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1749210435 JEJZIZDSJIHRQK-HXUWFJFHSA-N 468.602 2.831 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1749323252 CLTMZNRQNRPXBE-DEOSSOPVSA-N 476.691 2.807 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnnn1C 1749540909 FQGFNYLFUXHSHF-HSZRJFAPSA-N 455.538 2.827 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1 1749548812 KAZMJFJDSWNWSP-QFIPXVFZSA-N 474.608 2.754 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1749608241 VEVGTMQZEJNSBH-UHFFFAOYSA-N 459.352 2.737 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1749609643 XZSNQCYTCXDGGP-UHFFFAOYSA-N 457.600 2.764 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NCC)c1 1760115906 CVCBFTXERNTBDQ-GHTZIAJQSA-N 496.612 2.842 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760158073 JKSQLFABHMNUAH-DHLKQENFSA-N 478.641 2.876 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1760190418 QMMGHYGOSCPUGA-FQEVSTJZSA-N 469.998 2.787 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2csc([C@H](C)OC)n2)CC1 1760262038 GUNXMIFDVMWKNP-KRWDZBQOSA-N 454.575 2.975 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cccs2)CC1 1760272074 XLFWJCZZMJAJBX-UHFFFAOYSA-N 454.625 2.904 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(=O)C2CC2)CC1 1760312978 HHMBRJNVDBLRLH-WIYYLYMNSA-N 472.634 2.673 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1760343069 XKNMIEUSLQLQAT-UHFFFAOYSA-N 456.547 2.785 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1760365243 RRWDSCKVJZGKNZ-UHFFFAOYSA-N 450.971 2.951 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1760481861 JQIDLOAFNMBNGV-DEOSSOPVSA-N 474.627 2.948 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1760499351 VRLVXRHCTXPEBN-RBUKOAKNSA-N 466.554 2.840 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760516116 VJZFMZUYRFQYJK-OFVILXPXSA-N 463.586 2.608 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](CCOC)C2)cc1 1760529427 GEYMZHNWGTUBBZ-VQTJNVASSA-N 460.600 2.656 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCCC[C@@H]2C)C1 1760544372 YNXPQHFECRJBRA-PCCBWWKXSA-N 465.664 2.616 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760560563 YONKYOMRLYGKQG-OAHLLOKOSA-N 488.477 2.979 30 10 JFEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760562347 GPEMLCSHMMSPPJ-FQEVSTJZSA-N 451.600 2.541 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)CN3CCCC3)CC2)c1C#N 1762402717 HJFHPRZFKOUIOQ-LJQANCHMSA-N 467.666 2.839 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2sccc2C)C1 1767251920 GYVCTIJGLGGTEG-IBGZPJMESA-N 470.624 2.947 30 10 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2.900 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C2=O)cc1 1467705286 AFDDPJHKUNQYNA-VQIMIIECSA-N 454.939 2.932 30 10 JFEE CN(C[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1)C(=O)OC(C)(C)C 1478402813 FVTWRHXRMCTYPN-BBWFWOEESA-N 451.568 2.644 30 10 JFEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)CC1 1502359512 ATGQMLCICPVDRW-UHFFFAOYSA-N 494.688 2.677 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1503476047 CWDHWLXNINLPRC-XMSQKQJNSA-N 471.608 2.657 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1504887722 DIFGJTJMHSPRAQ-JTYJAPAGSA-N 494.662 2.670 30 10 JFEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507568533 WEDGPEOSTKUWCV-UHFFFAOYSA-N 462.602 2.904 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1507628418 OLOPNXFWOXBIIO-GOSISDBHSA-N 471.608 2.702 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1507631913 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FYBXGFCZFMAOBL-LJQANCHMSA-N 489.642 2.634 30 10 JFEE C=C(Cl)Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507875824 YSJYWDNHNPQEER-OAGGEKHMSA-N 452.987 2.764 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)C2CC2)CC1 1507898402 YDKYWTTYJFWLQJ-HSZRJFAPSA-N 459.616 2.759 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1508018403 DRFISYYCJNEAOE-UHFFFAOYSA-N 485.658 2.988 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508052763 AMTHIVHRKPJFSQ-JXFKEZNVSA-N 473.419 2.882 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508076456 TYTZTEALVBZQMA-QGZVFWFLSA-N 497.003 2.799 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1508084068 GWYXYSQDBKAOJB-GOSISDBHSA-N 475.553 2.720 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1508131339 LPCIURADFLXAIL-UHFFFAOYSA-N 459.616 2.663 30 10 JFEE COC1CCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)CC1 1518594156 GFSRCNAKYYNMTC-SZPZYZBQSA-N 468.602 2.556 30 10 JFEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539133327 DZRNSFNWHHPQHA-VWLOTQADSA-N 464.658 2.708 30 10 JFEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1539139637 LDUNMTNBXVLMJA-GOSISDBHSA-N 460.517 2.786 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539210854 HCPJAFWXFXYMFS-DYESRHJHSA-N 453.543 2.910 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1539215340 AGVKBAIKMMOWMM-MRXNPFEDSA-N 492.424 2.839 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539377848 NPKCBLFNPBXVSU-IFMALSPDSA-N 471.627 2.829 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCN2CCOCC2)CC1 1539429914 FAYPQVPIQBZQSZ-FQEVSTJZSA-N 473.021 2.549 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCCN2CC)CC1 1539474463 RECNGSNPLSVFMH-JOCHJYFZSA-N 464.614 2.794 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ncc(CC)s2)CC1 1539477660 UVVCHDWWNKLBFM-UHFFFAOYSA-N 463.611 2.876 30 10 JFEE C=C(C)[C@@H](CC(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1)OCC 1539544166 MPTMBFYZDIQVAK-QRVBRYPASA-N 451.564 2.789 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539569398 DJQICIQHDJKMPW-OEMYIYORSA-N 455.525 2.878 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(C)cccc2C1 1539599346 DKOQHRUKLYZJBW-MRXNPFEDSA-N 451.390 2.960 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539599851 GMZKBOAQPWRGJE-UHFFFAOYSA-N 473.379 2.576 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 1539624510 TUWHXKJWIAYZOB-VQIMIIECSA-N 466.007 2.988 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1539948086 TUUUTOCMHWTSDM-UHFFFAOYSA-N 460.604 2.585 30 10 JFEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539953011 NODCOLFHYUICCA-INIZCTEOSA-N 462.396 2.958 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1)C(C)C 1540147981 QMIWMIZZPGXXJP-IBGZPJMESA-N 490.450 2.681 30 10 JFEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1540859537 LSNYLUPTFYTMKW-GOSISDBHSA-N 484.992 2.969 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1540866419 MROXHENCQFXAJN-UHFFFAOYSA-N 481.992 2.536 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1540886156 WSLDNRMYPNDLRG-FXAWDEMLSA-N 455.559 2.658 30 10 JFEE CCc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](C(=O)NC)C2)cc1 1548367685 FMFBNRZCBJVXPP-FQEVSTJZSA-N 480.512 2.765 30 10 JFEE COCCNC(=O)[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367996 DQVQWHPXJIKTEH-OAQYLSRUSA-N 492.473 2.739 30 10 JFEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)[C@@H](C(=O)NC3CC3)C2)cc1C(F)(F)F 1548369444 DNYBCXHWOPLSJQ-HXUWFJFHSA-N 496.486 2.874 30 10 JFEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ocnc1C)CC2 1548377973 IVMLKBHVVUXXFF-GOSISDBHSA-N 475.471 2.978 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)CCOC)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548393507 ICTPIRYQEKDFFP-RBUKOAKNSA-N 466.504 2.651 30 10 JFEE C=CCn1c(SCC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)nnc1-c1ccc(Cl)cc1 1557081267 BSFYEMTWWUOEJN-HZPDHXFCSA-N 450.008 2.790 30 10 JFEE C#C[C@@H](NC(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)C1CCOCC1 1563986945 ZURLMCSVCCVLRB-OAQYLSRUSA-N 452.555 2.669 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2ccccc2Br)cc1 1570352863 FHCCSPFQFVZTKB-GOSISDBHSA-N 453.358 2.719 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCCC2)c1 1587683857 OYDPJNXXIYQQNU-UHFFFAOYSA-N 478.597 2.656 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588039756 DTROPEJPNYCGGZ-LJQANCHMSA-N 488.610 2.548 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1588054033 KHAZMCFEMNGBGR-BEFAXECRSA-N 498.527 2.935 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1588059448 OHMPQEOHSABQDB-HTAPYJJXSA-N 465.019 2.664 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1588079060 QRUMCTRISBHAJN-WOJBJXKFSA-N 497.043 2.822 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCc2nccn2C1 1588173498 CKKWXXOOSHBZLV-HXUWFJFHSA-N 475.984 2.784 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1COCCO1 1588473629 PPXQKRQTNFSZQN-XUZZJYLKSA-N 458.534 2.513 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCC 1588561071 ZTVHZGJMNHBABZ-UHFFFAOYSA-N 459.529 2.822 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2ccnn2)CC1 1588891627 RKZFGABPVWGYQF-GOSISDBHSA-N 497.003 2.719 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1588968260 GVFLQPIATVYIIL-UHFFFAOYSA-N 454.556 2.958 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1589069042 IBFQXCVQUQEISV-OAQYLSRUSA-N 453.612 2.891 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 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458.522 2.894 30 10 JFEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]2CO)c1 1626748887 GVUKBKPNUBRGSF-INIZCTEOSA-N 450.944 2.937 30 10 JFEE COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)CC2)cc1 1636266075 BDSDGTDPMIXNPD-QFIPXVFZSA-N 454.552 2.660 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(Br)c1Cl 1638111232 DKLXQNXZILTTKI-NSHDSACASA-N 456.749 2.957 30 10 JFEE C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1652848508 AWGKLNDLASCTBM-KRWDZBQOSA-N 451.552 2.585 30 10 JFEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)CC1 1659058655 GSWFRIMKNGYOGJ-UNMCSNQZSA-N 455.603 2.635 30 10 JFEE C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C 1671575955 AORWSZCDEZJYHF-AHRSYUTCSA-N 455.559 2.998 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1672708147 FJGGGVLJRJUOND-AWEZNQCLSA-N 458.320 2.852 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1689940826 DREZCUMZKJEUFM-IBGZPJMESA-N 466.590 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30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358962182 LZLIPZHSOHYHIJ-RBUKOAKNSA-N 452.621 2.599 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1358964319 XHHYSKHSSLZNGJ-TZIWHRDSSA-N 455.628 2.555 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(N(C)C)CCSC1 1358968360 JHAROSNRUDNCCL-DEOSSOPVSA-N 450.612 2.657 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)N1CCOCC1 1359020353 ZWVSVTLHEZFWBK-UHFFFAOYSA-N 463.586 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1359041719 FYGYIYKELXJDBE-GHTZIAJQSA-N 451.571 2.592 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)Cc2ccc(F)cc2)CC1 1359044603 JZXIRRSBTRODRT-QHCPKHFHSA-N 482.604 2.757 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359093154 KNUNEHRJXBJKBT-JTHBVZDNSA-N 453.587 2.784 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1359096868 IAMHLGBRBVVYIR-UGKGYDQZSA-N 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450.518 2.945 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1588876772 IMFLTRISQNRQHM-SDHOMARFSA-N 480.657 2.623 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1588929610 DQPNIQSBYLGQNJ-ZEQRLZLVSA-N 478.641 2.749 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCCC2)CC1 1588947494 QLBVMIYFEWLVBU-UHFFFAOYSA-N 466.605 2.850 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCCC2=O)CC1 1589494554 MSNVNEQSEBZSQF-KNKQGSTJSA-N 461.607 2.575 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1589652002 LUTKGRPENABKBH-JOCHJYFZSA-N 452.603 2.637 30 10 JFEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1593899938 FCPHEYDMENWTGO-SFHVURJKSA-N 460.044 2.640 30 10 JFEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1594819442 CPIDHUXYOWVRCR-QHCPKHFHSA-N 466.630 2.513 30 10 JFEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1595428022 CYWLICNYCUZQIM-FGZHOGPDSA-N 480.657 2.884 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1595577431 RUVMIAONQPYTKH-KRWDZBQOSA-N 475.977 2.587 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OC)c2OC)C1 1595713964 JEFKGRTYWKWRPF-KRWDZBQOSA-N 452.515 2.591 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C)=C(Br)C1 1595811848 CUHWPVRSOQNZRN-UHFFFAOYSA-N 466.405 2.744 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595821939 DZAFVXWKNMADSY-IBGZPJMESA-N 478.590 2.728 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1595851260 ZJULAFINCZTAFO-KRWDZBQOSA-N 457.560 2.813 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc(Cl)cc1 1611696094 BWDCZVURFKIBQD-FOIQADDNSA-N 450.996 2.914 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCNC(=O)c2ccco2)n1 1612479770 FPIQTCGQKKETHD-UHFFFAOYSA-N 458.526 2.671 30 10 JFEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C(=O)OC 1665544749 SVXJVPPKAVZTBG-ZDUSSCGKSA-N 452.298 2.551 30 10 JFEE C=CCOc1cccc(NC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 1673779400 HLVBNCRLHKSDID-OAQYLSRUSA-N 452.559 2.638 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)N1CCCC1 1690020080 YGDWEHSWTHSJNU-YADHBBJMSA-N 484.645 2.780 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCO2 1690077862 YGZSGLFXHLFNHW-SFHVURJKSA-N 469.542 2.823 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690128555 GAYPUCPLAWHCLS-UHFFFAOYSA-N 482.629 2.936 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C/C=C\c2ccccc2)CC1 1690137889 KVDPPPQTRMBKSE-MPQNEAISSA-N 477.609 2.998 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690146333 LOPFIVYWLOZPAI-FUDKSRODSA-N 470.662 2.854 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cnn(C)c1 1690188354 HQLNSHCERJGTRM-NTKDMRAZSA-N 452.607 2.591 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCCn1cc(CO)nn1 1690214787 WVCQWIDLVVWUSP-HSZRJFAPSA-N 467.599 2.745 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690237428 YTGKFTGYXVXCHV-SCTDSRPQSA-N 493.534 2.979 30 10 JFEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690287612 KEDGREWXYFDLNS-ROUUACIJSA-N 499.620 2.501 30 10 JFEE C=C(C)Cn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690296898 VEDYFGJYHRAGRL-MHECFPHRSA-N 458.559 2.966 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1690364183 LIDHWMGYDYXSTD-AZUAARDMSA-N 475.615 2.569 30 10 JFEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCN(C(C)=O)CC2)CC1 1690384114 DZZPCRPGTADELC-UHFFFAOYSA-N 468.602 2.576 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1690569950 QMUTWHXDBFECOX-GOSISDBHSA-N 461.563 2.528 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1690578080 QOIHRDCGUQWGPK-INIZCTEOSA-N 475.644 2.829 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1690632564 CZYYKVSSTATVKK-QUCCMNQESA-N 488.658 2.903 30 10 JFEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690636415 YRGFVLKWAUPPKX-UHFFFAOYSA-N 477.569 2.749 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCCN(CC(F)(F)F)CC1 1690667239 WGYGRHKFHDVCCJ-UHFFFAOYSA-N 473.503 2.870 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690726576 FAXZJPXXPUVQIJ-SFHVURJKSA-N 495.671 2.977 30 10 JFEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@@](C)(C#N)C2)on1 1693540292 ALZLKMOQIHFWAH-QFIPXVFZSA-N 469.571 2.670 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1695063733 DCPUMTNDHQCLCK-IRLDBZIGSA-N 479.629 2.923 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1696676028 GCKKSBHGCSPJQM-NRFANRHFSA-N 450.568 2.739 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1705507848 FQLZJPNAERTRFX-UHFFFAOYSA-N 479.629 2.597 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1705517553 XXRQBDPNNRELIR-VXKWHMMOSA-N 455.628 2.694 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1COC 1705551656 QCQNRCHDXDCBDG-FQEVSTJZSA-N 455.559 2.851 30 10 JFEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1705558366 UJOFSEWWUJMKOF-SFHVURJKSA-N 469.533 2.912 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705563061 PWVQHZAMKQLESU-RTWAWAEBSA-N 456.612 2.949 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1705570635 PLAXCAWQHSNKDK-HSZRJFAPSA-N 499.681 2.626 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1705573509 IAOKFRSZQRNRKC-VQTJNVASSA-N 470.595 2.714 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1cccnc1 1705580875 PLNMLXGPCLHIQC-UHFFFAOYSA-N 451.534 2.776 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)nn(-c2ccccc2)c1C 1705588185 YZHXIPMBGBRHIO-URXFXBBRSA-N 458.566 2.926 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCCN(CC)S(C)(=O)=O 1705594283 XXUYRRBHCRBSGJ-UHFFFAOYSA-N 464.595 2.628 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1705628517 JPJXCZFVUGRDTJ-LJQANCHMSA-N 452.534 2.826 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2c(C)cccc2C)CC1 1705634904 MAYFOIQFYZCMHV-SANMLTNESA-N 467.614 2.770 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nnc(C)s2)CC1 1705636151 ZRRMLLGAEHSXKS-UHFFFAOYSA-N 472.416 2.979 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1705671067 UREONTAOBQAHLM-JWQCQUIFSA-N 453.587 2.800 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1705679683 WGUPYJYQGRFVKU-FQEVSTJZSA-N 464.339 2.660 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705708189 ZGFOTTGWRUUQJC-AKHDSKFASA-N 479.647 2.599 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705749717 GFVMGQYJVZQMNR-UHFFFAOYSA-N 473.020 2.505 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1705818727 UCFMLPLHDLXPFQ-UHFFFAOYSA-N 463.586 2.853 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]1C 1705868117 BRGHUUXEWHDZMX-NUJGCVRESA-N 451.618 2.521 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705933226 YIUKOPYIYVRKKN-UHFFFAOYSA-N 478.500 2.917 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2C2CCC2)nnc1[C@]1(OC(C)C)CCOC1 1705938518 AVKGTRCFBQWZDG-UGKGYDQZSA-N 452.621 2.688 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1706192191 CUUPXWAJGNJLFW-SFHLNBCPSA-N 458.607 2.764 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1706516577 DWNVYFNXLYNAKP-ZWKOTPCHSA-N 462.957 2.823 30 10 JFEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)c(=O)n1C 1707494906 HHEYBSGYLLPGGV-UHFFFAOYSA-N 488.596 2.502 30 10 JFEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)n(C)n1 1707803945 BNDQXAJEFUHJRU-UHFFFAOYSA-N 461.574 2.537 30 10 JFEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1711397762 AOXYBUQHOZYQJF-UHFFFAOYSA-N 475.553 2.562 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 1722296434 PWTYQKRZTHFJOO-HKUYNNGSSA-N 457.600 2.671 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1722307099 JDGDWFDNMQSDQI-SIBVEZHUSA-N 458.566 2.871 30 10 JFEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1722315817 STKYSMKLJZIVHB-QFIPXVFZSA-N 466.586 2.767 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722359491 NIMQMYJPSRJFJP-IBGZPJMESA-N 459.616 2.595 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(COC)CC1 1722460738 IUKKTVSWFHJJEQ-IBGZPJMESA-N 477.631 2.736 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722519788 KSKSEFKHALZCBN-NVXWUHKLSA-N 454.510 2.665 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722530742 IMICJSGXLARFIM-HNNXBMFYSA-N 484.420 2.703 30 10 JFEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOCC)C1)c1ccccc1 1722542237 VYGGNYDOQZGLBC-RTWAWAEBSA-N 460.600 2.525 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1)c1ccccc1 1722597037 PWYOFSAYZJEALV-SFTDATJTSA-N 471.627 2.632 30 10 JFEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722620006 HQNIEPQTZMTATB-UNMCSNQZSA-N 489.642 2.869 30 10 JFEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722626443 DPLQNOCWPYPIQN-UHFFFAOYSA-N 474.631 2.557 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1722638909 RVBZLCVTENNXPG-UHFFFAOYSA-N 465.602 2.798 30 10 JFEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 1722644038 LEKMPAARZHZDDD-UHFFFAOYSA-N 453.547 2.947 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)C(C)C 1722667174 VDNIDUHSHUJTQM-DTUNTVCMSA-N 486.661 2.701 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722682438 JHIYHZSBPDPJDW-MRXNPFEDSA-N 461.408 2.930 30 10 JFEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722682658 ZMGKXDXAAXIPQC-IBGZPJMESA-N 484.626 2.865 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722688213 VOTOMZDSDPBSGO-INIZCTEOSA-N 498.447 2.913 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC=C(Br)C1 1722731286 JASGBYCLNIYYFU-UHFFFAOYSA-N 497.415 2.955 30 10 JFEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1722737366 CSSHTIIOJPDKBT-UHFFFAOYSA-N 473.553 2.838 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)C1CC1 1722869272 HJPRSSLMEGEKBW-AWEZNQCLSA-N 461.364 2.742 30 10 JFEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1725793873 BAKSAESAOSMFHH-UHFFFAOYSA-N 450.616 2.852 30 10 JFEE C[C@@H]1CCCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 1726552594 HHUCIVIZZXRDBU-LJQANCHMSA-N 465.602 2.518 30 10 JFEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1727920422 FFCPFBHUUAFXEO-CLOONOSVSA-N 468.602 2.973 30 10 JFEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1728588819 BNWMYBNXSLKYIF-GOTSBHOMSA-N 479.629 2.956 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729609609 GTLPTLHVHHXONA-MRXNPFEDSA-N 494.003 2.747 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1740553677 TZFWQIANYJNEQQ-SJORKVTESA-N 460.600 2.633 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1740619546 KBZZUQXPPVPNCO-INIZCTEOSA-N 493.427 2.639 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740620605 QWIITQVBCUQZTO-AONNBLCTSA-N 499.662 2.667 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](COC)OC)CC1 1740697521 HQJBXYRXVZPPIK-INIZCTEOSA-N 482.810 2.778 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740750854 VBCOZCXBITVYKH-HJNYFJLDSA-N 486.661 2.872 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1740756143 NSKIGOYNACHRAV-NZQKXSOJSA-N 464.570 2.529 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1740839603 LCSJMXSKIJGRHZ-VHXPQNKSSA-N 462.554 2.806 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740950229 XPUKTWLMLFBKAJ-UHFFFAOYSA-N 465.583 2.586 30 10 JFEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740958943 XMOIJGUZKUIBAF-UHFFFAOYSA-N 450.587 2.945 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1nncn1-c1ccccc1 1744046251 DYARLHVNRHXTFU-UHFFFAOYSA-N 461.574 2.956 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1748653661 BCIHALDFARVTHT-ZDUSSCGKSA-N 483.381 2.817 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnc1C 1748887053 RDSRSLMGKOFTJF-UHFFFAOYSA-N 468.565 2.733 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H]1C 1748969228 QZEAVPOGSKMLBR-PMACEKPBSA-N 460.623 2.920 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cn2ccsc2n1 1748970842 VGZRVRZMAKQGJH-CALCHBBNSA-N 485.614 2.892 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCn2cc(Br)cn2)CC1 1748993078 PJVIGSVKOACDAS-UHFFFAOYSA-N 498.429 2.682 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCNC(=O)c2ccco2)CC1 1749004126 FKDNMLAPUINJPA-JOCHJYFZSA-N 488.592 2.809 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1749016666 KFOWJACNLWZEKV-FQEVSTJZSA-N 466.611 2.792 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1749020211 OQFOZAUZRSUUAJ-UHFFFAOYSA-N 472.659 2.546 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1749171021 OPUVYTJZNDRZOV-SFHVURJKSA-N 497.662 2.692 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749255998 QELQWUXQWMPUHW-UHFFFAOYSA-N 470.942 2.636 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C 1749531965 RBEQERFUVAAYNJ-MHECFPHRSA-N 486.642 2.894 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C 1749558154 QQJZSYKMXAGPNH-PZJWPPBQSA-N 470.622 2.654 30 10 JFEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749608242 VLVVEQDMEQQCRC-GOSISDBHSA-N 456.572 2.551 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749617789 OTTFCCZYLNUCFJ-UHFFFAOYSA-N 452.515 2.844 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)C(C)C)C1 1749712361 IPEFTDNLQCNTCY-VQTJNVASSA-N 478.638 2.708 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1749724416 IZAKJSUCNPONNL-QFIPXVFZSA-N 459.572 2.693 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749732101 PNGRMPQNEJACIE-UHFFFAOYSA-N 471.627 2.935 30 10 JFEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)N1CCCC1 1750587011 CYBVVGQLZSHNRJ-QFIPXVFZSA-N 470.643 2.951 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760141488 WRUMNEWIOIOGQM-QGZVFWFLSA-N 482.614 2.648 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1760188636 PQZIVQIWFVGGSJ-XMSQKQJNSA-N 483.638 2.749 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O 1760222885 BYPZNGZAWNTFER-FQEVSTJZSA-N 460.987 2.941 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(OC)CCC(C)CC2)CC1 1760256009 RMDQRQOSKXVQCD-UHFFFAOYSA-N 485.654 2.699 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)N(CC)CC)CC1 1760260213 WWVTZFSZXVWFSF-OAQYLSRUSA-N 487.693 2.878 30 10 JFEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1760263722 MQQXGCBFLNUVMA-UHFFFAOYSA-N 451.493 2.868 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[C@](C)(O)c2ccccc2)CC1 1760268025 KBFTUTOBGBTOLU-SANMLTNESA-N 458.566 2.604 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Br)cc2C1 1760274655 LYNONXARJRUAAO-CQSZACIVSA-N 498.472 2.580 30 10 JFEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760276708 MWNOITNEYBXXMT-UHFFFAOYSA-N 461.657 2.640 30 10 JFEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760308320 ALEPYJYLPLUKKR-UHFFFAOYSA-N 455.445 2.766 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760332242 XDCZABUUAFPIQN-FQEVSTJZSA-N 499.431 2.668 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1760507202 OKNWLSYZAGVYBA-UHFFFAOYSA-N 479.404 2.945 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760507536 MFBYWKWNWGXTAU-UHFFFAOYSA-N 487.655 2.781 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1760526187 GZRGBGRWCRVSHL-UHFFFAOYSA-N 484.601 2.772 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760534253 UECXDNIQRQWSAQ-DQEYMECFSA-N 469.586 2.634 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760564877 JRVXQKWMUZCWSX-MSOLQXFVSA-N 473.578 2.688 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C)S(C)(=O)=O 1760699721 AGWYKWZLAMWAIG-FUHIMQAGSA-N 470.599 2.970 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1765702049 HNQAAHYTRMRPMN-UHFFFAOYSA-N 465.602 2.770 30 10 JFEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1765798843 FKVGKMDJAZNGNY-HXUWFJFHSA-N 465.602 2.662 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 1769921560 FWWALJMZLMHFLA-NPPFBWRTSA-N 484.601 2.579 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3CCN(S(=O)(=O)c4ccc(CC)cc4)CC3)cc21 1858631639 OXNLWSPGPJSFKK-LJQANCHMSA-N 497.617 2.738 30 10 JFEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858658562 OYOZRHDPELFEAF-UHFFFAOYSA-N 472.523 2.526 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N[C@@H](CC(C)C)C(=O)O)cc21 1858807062 JXDWAMOBBQCFHF-KRWDZBQOSA-N 496.520 2.876 30 10 JFEE Cc1nc(N2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4n3C)CC2)nc(O)c1CC(C)C 1859427946 BSVQTRQYKWSDKD-IBGZPJMESA-N 461.570 2.574 30 10 JFEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862558603 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C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1705886385 PWQUDAFVBKFGGL-UHFFFAOYSA-N 453.348 2.825 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1705896005 ZORSXVMXMYIRTC-UHFFFAOYSA-N 474.319 2.883 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)CC)C1 1705916775 NILAEDDIEWQYJQ-KRWDZBQOSA-N 469.405 2.924 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1706853979 CNKCITXCZDKNJV-ITSWEJNFSA-N 472.615 2.602 30 10 JFEE CCN(CC)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1ccsc1 1710017429 DJLRIYRIGWQMJW-LPHOPBHVSA-N 479.676 2.773 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1722281645 VHPKLNVLZYGOAN-HOYKHHGWSA-N 454.575 2.966 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OCCC 1722344213 NLKMYZLSDDQMRD-UHFFFAOYSA-N 467.599 2.848 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1722363442 UCEDQSSPEXLBEV-NPPFBWRTSA-N 478.018 2.968 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1722365843 GBJAWPDEIYLJHI-OAHLLOKOSA-N 471.446 2.976 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1722370813 QTTPWJCAWZKCTO-IBGZPJMESA-N 484.578 2.751 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCOCC2)n1 1722427130 HMVWZNPQQFMUFL-UHFFFAOYSA-N 484.988 2.623 30 10 JFEE C=CCC(C)(C)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1722593640 XOIGEMQCBYTUNK-FGZHOGPDSA-N 452.621 2.548 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1722608925 ODXVWMMGEWPHRT-SFHVURJKSA-N 464.611 2.706 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1722681364 KPZKGYBJCAVKIF-SFHVURJKSA-N 457.556 2.522 30 10 JFEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1724132215 AUCUPWQERGCMHX-OAHLLOKOSA-N 476.488 2.530 30 10 JFEE CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1727249776 ATRIRLXWTSLYCD-HKUYNNGSSA-N 462.558 2.755 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H](C)N2CCCCC2)CC1 1729676347 CFYJMCZGWLCCPX-FQEVSTJZSA-N 479.629 2.956 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1OC(F)F 1740554061 VWEOTCNDLAWJHY-HOCLYGCPSA-N 468.526 2.687 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2(S(C)(=O)=O)CC2)c1 1740563666 WTHDCFZMYHVJPE-UHFFFAOYSA-N 455.584 2.569 30 10 JFEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740572981 DTVYMTJGIZNWRY-HSZRJFAPSA-N 450.631 2.897 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1740616868 ICFVEDVJJNMSJP-SJLPKXTDSA-N 464.563 2.609 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1740628831 UZQCAOPLHHSLMB-IMSXRSKXSA-N 484.622 2.773 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1740641920 PIOREQSEGYMWHD-FQEVSTJZSA-N 454.596 2.796 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CCCCC1 1740652471 AJZVLDDWLWUKGX-HHHXNRCGSA-N 472.593 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C(C)C 1740657609 UGMMKOKPLZJIEC-UXHICEINSA-N 459.591 2.720 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1occc1C 1740685168 BPJDSWCXZOIOPI-SFHVURJKSA-N 459.547 2.622 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1740692466 JNFHIJIILSPLPV-HSZRJFAPSA-N 466.630 2.838 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1740700503 BQNRMJTVNCMAGP-VQTJNVASSA-N 458.607 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(OCC3CC3)nc2)CC1 1740702313 LCMDFYIKXUQNPZ-GOSISDBHSA-N 450.587 2.990 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2F)CC1 1740703585 XWAQXVWBDNWVGX-BCHFMIIMSA-N 499.587 2.503 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740762206 CDYNTOJPUWUMPI-CTNGQTDRSA-N 479.672 2.677 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740851179 XBRSLMWOTMEQFW-UHFFFAOYSA-N 464.570 2.735 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740961751 YMXMCMUTPMBOMQ-HSZRJFAPSA-N 459.978 2.599 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1740961843 ZNZFNXALXYMBDW-UHFFFAOYSA-N 491.571 2.869 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CC(OCC)C2)C1 1740973958 IAIWAMPXORJBPG-BQJIDLTASA-N 480.407 2.757 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)NC(C)C)C1 1740975918 RBWYPQFBBLEHBF-MRXNPFEDSA-N 471.986 2.847 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740987202 QPXDGXXXKUYXFH-IHPCNDPISA-N 490.582 2.750 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C1 1741097347 CVXZTDDHKKPHSR-HYBUGGRVSA-N 452.559 2.650 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1741987499 DPKNHCUDMLBGRC-BSRJHKFKSA-N 492.646 2.915 30 10 JFEE CCC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1745263494 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485.658 2.885 30 10 JFEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749390298 CBBLHEPUKWTYOS-VQTJNVASSA-N 466.586 2.538 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1749452175 QJMZZKAUOVBBHD-HNNXBMFYSA-N 461.364 2.514 30 10 JFEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1749488005 IDGSWHTUWLAILS-OAQYLSRUSA-N 475.615 2.603 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 1749563417 GLDNBEPMTRXCRW-UHFFFAOYSA-N 472.659 2.553 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749652566 OWUXMUNXEDDLMT-JTHBVZDNSA-N 466.630 2.671 30 10 JFEE C=CCNC(=O)Cn1c(N2CCSC(CC)(CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682451 UKCLZYUBAFXGDM-QFIPXVFZSA-N 451.637 2.733 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C1 1749717475 LJSHHVRISPNVDN-LJQANCHMSA-N 484.567 2.846 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC2CCCCC2)C1 1749719194 PMEVOTPRSOLYFV-QFIPXVFZSA-N 464.570 2.959 30 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C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1760273068 HJOUSKGCVIUCQJ-SFTDATJTSA-N 481.597 2.647 30 10 JFEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760432940 WNBGQJGTHOQJCX-UHFFFAOYSA-N 490.450 2.757 30 10 JFEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)COC)CC1 1760443069 ZCKCJPNFLPRBQJ-UHFFFAOYSA-N 478.391 2.881 30 10 JFEE C=CCn1c(CC(C)C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1760511553 UBTDZQWVFCCTSD-KRWDZBQOSA-N 467.636 2.571 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760515032 ADVXOUCJNOLKRU-AFMDSPMNSA-N 499.612 2.893 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760518323 QFINSQNQJBCJFW-SFHVURJKSA-N 498.950 2.835 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)Nc2ccc(F)cc2)C1 1760538614 VGZDECQIBNFUSV-HYBUGGRVSA-N 473.549 2.878 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1760558416 OHYSCPQXZRCZSF-UHFFFAOYSA-N 498.074 2.883 30 10 JFEE C=CCSCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568674 PHPSSBOZURGRLU-DHIUTWEWSA-N 476.647 2.723 30 10 JFEE CCc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1764438786 GRLOALUUKUGBCB-SFTDATJTSA-N 493.637 2.864 30 10 JFEE CSC1(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CCOCC1 1771410814 DKBJFMZWAMIJRV-MRXNPFEDSA-N 467.599 2.700 30 10 JFEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 1860634985 MVGCPZYRPFLSIW-NTCAYCPXSA-N 479.577 2.874 30 10 JFEE N#Cc1c(O)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1Cl 1860824956 FLIILFYUFDEVRR-UHFFFAOYSA-N 475.939 2.752 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)cc(Cl)c1O 1862743557 ZXMHHEITCMOBFQ-QGZVFWFLSA-N 462.842 2.923 30 10 JFEE C#CCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870561517 QQWKXMWWOVUOSS-UHFFFAOYSA-N 459.546 2.945 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CN(CCOC)CCOC 1870716890 ZWSYHVSLAPLRRC-UHFFFAOYSA-N 463.962 2.800 30 10 JFEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870813899 JGHGYWODBLRNGE-UHFFFAOYSA-N 485.562 2.760 30 10 JFEE CCCCOc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 1873527251 RJICCOJYNZWWDL-FPQGOQEYSA-N 483.388 2.990 30 10 JFEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OCC)c1 1874434571 LYUGOAPUZLADRH-ZVHZXABRSA-N 460.604 2.936 30 10 JFEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc2n1CC=C 1875231138 BGDVHRSGINXKEM-UHFFFAOYSA-N 480.594 2.734 30 10 JFEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cc1 1890780703 ACLQWYZOCLVLEB-NRFANRHFSA-N 458.515 2.515 30 10 JFEE C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)N4CC[C@H](Oc5cc(C#N)ccn5)C4)cn1c23 1890841474 QCNSLBCPIOJINT-OCCSQVGLSA-N 452.417 2.793 30 10 JFEE C[C@@H](C(=O)N1CCC(COc2nccnc2C#N)CC1)n1nc(-c2ccc(F)cc2)ccc1=O 1891468936 CCTBJQAQWSWYJQ-INIZCTEOSA-N 462.485 2.590 30 10 JFEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@H]2CCN(c3nccs3)C2)[C@@H]1c1ccc(C#N)cc1 1891995574 UMFFADHDOGZMGT-IHPCNDPISA-N 455.609 2.803 30 10 JFEE Cc1nc(I)c(I)n1C[C@](C)(C#N)NC(C)C 1941541392 KHPVRPGWSXNZPT-NSHDSACASA-N 458.085 2.681 30 10 JFEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059772922 CQWRZSYZDZONOI-IVZQSRNASA-N 455.552 2.816 30 10 JFEE CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128717273 CYXCHKNFABXLRE-SFHVURJKSA-N 462.421 2.955 30 10 JFEE Cc1cc(S(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)sc1Br 2158579480 FIVQACQCWOVALF-UHFFFAOYSA-N 460.184 2.709 30 10 JFEE N#C[C@](Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)(NC1CC1)C1(Br)CC1 2206634184 QWWJKZVVNBAWFU-JOCHJYFZSA-N 468.355 2.664 30 10 JFEE Cc1cnc(N2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2241077699 YEWPJFDYYWJTGB-UHFFFAOYSA-N 461.412 2.887 30 10 JFEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247881144 SGZHJNYCLJYBDR-CHWSQXEVSA-N 460.427 2.627 30 10 JFEE C[C@@H]1CC[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255640087 WZUNBBOXFPOZNE-KGLIPLIRSA-N 451.398 2.960 30 10 JFEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255754211 WFXFCSOWLXJVMQ-WMZOPIPTSA-N 462.446 2.846 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255836110 TXTYCUCWXGDGLD-CHWSQXEVSA-N 455.361 2.520 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843378 GKIMIZFZCFJAPZ-KGLIPLIRSA-N 451.398 2.866 30 10 JFEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2256617540 KADUTKOBXOTRDP-MLGOLLRUSA-N 454.760 2.852 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](COc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CO1 2265990397 WAVQDXKSWZYAMB-LSDHHAIUSA-N 452.332 2.829 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2267131227 YQEMVSDEBIYMLA-JLCFBVMHSA-N 463.409 2.880 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCCNC(=O)OC(C)(C)C 2267525084 ZQEKUQZZJQMPSD-UHFFFAOYSA-N 450.389 2.627 30 10 JFEE CC[C@@H](CNS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267707884 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CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282352354 NOVOEYGOBQVTGS-OYHNWAKOSA-N 498.476 2.973 30 10 JFEE C=C(CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCC2)O1)B1OC(C)(C)C(C)(C)O1 2282488089 AKTNSCLCSQNDHB-QGZVFWFLSA-N 486.440 2.652 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2282584117 RPEFFSSYGJTMTI-PBPSECFOSA-N 478.420 2.910 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 2282690502 WYWPISMEYZTZGB-NRFANRHFSA-N 450.388 2.925 30 10 JFEE Cc1cc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282695213 ZMQIVNPOYCAZEO-RHSMWYFYSA-N 454.298 2.823 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282840514 NZESPOMEFGXVBW-AOMKIAJQSA-N 498.476 2.724 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC=CCN2S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282847744 DGBNCIAKQUYMPN-UHFFFAOYSA-N 496.460 2.987 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC(NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C2)C1 2282864523 HDWGUSCEQGLQBD-UHFFFAOYSA-N 478.420 2.664 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2283028090 VLNASZVVXRRFTJ-OXQOHEQNSA-N 461.412 2.988 30 10 JFEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283954554 GMJMGRYIAIMEAX-HNAYVOBHSA-N 460.380 2.539 30 10 JFEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283986500 RCNFJIXAFMGTQG-AWEZNQCLSA-N 464.347 2.993 30 10 JFEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C 2283987535 YNTQRGZASMWZOJ-IAGOWNOFSA-N 480.436 2.766 30 10 JFEE C[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)COC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2284042507 SDOCZJNXGCZBIT-MRXNPFEDSA-N 460.380 2.704 30 10 JFEE COC[C@H](CC(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2284054073 XLWMVVUDQOXNIW-IBGZPJMESA-N 462.396 2.874 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1[C@H]2[C@@H]1OCCN2C(=O)OC(C)(C)C 2284064995 BBJIGHSVXLHLQG-GBESFXJTSA-N 458.364 2.867 30 10 JFEE CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]2C1 2284392258 UUGKFMONGZTJPH-IAGOWNOFSA-N 463.359 2.592 30 10 JFEE Cc1cc(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)sc1B1OC(C)(C)C(C)(C)O1 2284436237 AETCAGPFDJIQRT-XMMPIXPASA-N 470.400 2.815 30 10 JFEE Cc1cnc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2288252185 KWAUHLWSXKSPFE-UPCLLVRISA-N 457.380 2.676 30 10 JFEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289801769 HBWOEHRDNFOWOY-OAHLLOKOSA-N 482.408 2.925 30 10 JFEE CC[C@@H]1[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2315683103 FWNYUMHUIHKPAF-LSDHHAIUSA-N 451.398 2.960 30 10 JFEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2320689026 XZWCPSCKBVLTSF-CYBMUJFWSA-N 474.816 2.593 30 10 JFEE COc1ccc2[nH]cc(C=Nn3c(SCC(=O)NC4CCCCC4)nnc(C)c3=O)c2c1 2321647879 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Cc1nc2c(C)cccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1F 102483825 HEQNHZIBARTPON-MBDQKHHZSA-N 478.524 2.844 30 10 JFEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 252679471 MWYGYMQKPSXECV-QHCPKHFHSA-N 476.554 2.982 30 10 JFEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(OCCOC)cc2)c1=O 501244123 ITJQQOSJPCUSNM-UHFFFAOYSA-N 476.554 2.516 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)CC1 518035740 PICPJNNDUBJJQK-UHFFFAOYSA-N 466.607 2.786 30 10 JFEE N#Cc1cccc(C(=O)Oc2cccc(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)c1 586547914 JSNUEIPXQVHGEH-UHFFFAOYSA-N 464.503 2.789 30 10 JFEE CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1Cl 616172832 APSIPJKRVJGQNZ-FQEVSTJZSA-N 476.002 2.530 30 10 JFEE N#CCN(C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1ccccc1 728726794 XQKCJZAIXBUYGG-UHFFFAOYSA-N 456.455 2.668 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)NCc3ccc(C#N)cc3F)C2)CC1 729879385 FXSUEYIYMDQTSD-LJQANCHMSA-N 473.549 2.698 30 10 JFEE 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C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1286782802 GWKRFHGQVQLOEL-SFHVURJKSA-N 467.505 2.688 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC[C@H]2CC)C1 1286798343 JSBIIURZTYDWGH-UXHICEINSA-N 453.591 2.971 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCSC2(CCOCC2)C1 1286821912 WWCLNKWTIJGICG-UHFFFAOYSA-N 492.667 2.581 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)c1 1288529349 HQKQFCCWUUNWLS-SFHVURJKSA-N 479.610 2.893 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1293849218 ACIIEVKKRDODGA-QAPCUYQASA-N 475.391 2.989 30 10 JFEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)CCC1 1296267478 ICXYRRFCWLYMDQ-FQEVSTJZSA-N 466.586 2.898 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC(C)C 1300275572 WMFRYMVUNVSZMQ-HOTGVXAUSA-N 453.996 2.857 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1300483826 NZYNUYBSRKAHKR-FQEVSTJZSA-N 473.002 2.890 30 10 JFEE 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468.606 2.757 30 10 JFEE C#CCSCCn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507759060 YUFQYJXJFMWLOZ-GBESFXJTSA-N 462.664 2.946 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(C)C 1508040887 DASGWDNUELFLDV-XMSQKQJNSA-N 466.586 2.892 30 10 JFEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508162079 KMTBJOVCMBYVNY-HXUWFJFHSA-N 491.683 2.801 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)noc1C 1538983340 QJFNYDDWMLNIMA-HNNXBMFYSA-N 456.572 2.560 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1539230392 HAUHGIDVUDBSLK-JOCHJYFZSA-N 499.637 2.618 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2COCCO2)n1 1539424047 JUUXPQXVRWALTB-LJQANCHMSA-N 488.951 2.636 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1539443906 APHKRAWYQCRQPZ-HXUWFJFHSA-N 465.602 2.742 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSc2ccc(C)cc2)CC1 1539462662 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LAHXURUBWUBNEU-QHCPKHFHSA-N 459.595 2.689 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1540868166 URMKDJSQLAPOJY-UHFFFAOYSA-N 454.481 2.968 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540874125 VZQRXPFJUZOCJQ-UHFFFAOYSA-N 478.641 2.985 30 10 JFEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCCN(C(C)C)CC2)cc1 1540879233 XIJWODLJYYRACZ-UHFFFAOYSA-N 452.603 2.934 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1540881242 CQSAKHMIWIRJCL-UHFFFAOYSA-N 452.584 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1540905770 ZHWIZMYNPDDXMN-UHFFFAOYSA-N 467.636 2.667 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCN(C2CCC2)C1 1544754735 HKRWJOUMXKUFSY-SFHVURJKSA-N 456.616 2.562 30 10 JFEE COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555564682 GYHFWUQYTDZYGS-FQEVSTJZSA-N 496.616 2.632 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ccc(OC)cc2C1 1556713711 GGGBZIFKPMCZML-LJQANCHMSA-N 457.552 2.714 30 10 JFEE C#CC[C@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCCN1C(=O)OC(C)(C)C 1583808632 ZHWHCKYWIMEMHC-RUZDIDTESA-N 455.603 2.503 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCN(C)S(=O)(=O)CC 1587602875 CQYQOBJHKCPEPL-OAHLLOKOSA-N 468.421 2.837 30 10 JFEE C#CCCCCn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587792855 CBRJDADXJQUTJP-KURKYZTESA-N 467.636 2.722 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCN/C(O)=C1\N=CC=CC1=O 1588198450 UBBJGSAVNIWHGG-CZIZESTLSA-N 499.394 2.758 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1588229045 PXNYFGVXRLEGST-OAQYLSRUSA-N 451.546 2.659 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCNC(=O)C(C)C)CC1 1588805787 BKTIKOHDAZYPPZ-UHFFFAOYSA-N 461.570 2.518 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1588806333 NDKYVOIZEWEHEA-FQEVSTJZSA-N 471.609 2.980 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCOC(F)(F)F)CC1 1588857063 IVHWJJPUQRZKCM-UHFFFAOYSA-N 451.493 2.754 30 10 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457.600 2.764 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](c2ccccc2)C1 1705737562 VFRNMHUUGALBCT-SFTDATJTSA-N 460.600 2.741 30 10 JFEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCCn2cc(CO)nn2)CC1 1705771705 BYFHHJAZGMNEOJ-UHFFFAOYSA-N 455.588 2.910 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1705864301 XEAWQNYAGIMEEW-UHFFFAOYSA-N 487.655 2.889 30 10 JFEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(Br)n1 1705883343 FFVVEKNRZBAPNK-UHFFFAOYSA-N 475.347 2.850 30 10 JFEE C=CCSCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705939777 MDVDNVCNSBARTF-BDXSIMOUSA-N 499.703 2.837 30 10 JFEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 1706573925 HOOBNSWSZZLCQC-UHFFFAOYSA-N 481.645 2.760 30 10 JFEE CCN(CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1710157382 GJJDINYLMFZSTK-HXUWFJFHSA-N 473.622 2.606 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722366026 HAQBHGDDFFQGJP-SJORKVTESA-N 466.966 2.640 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C=CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 254770257 ILQDBWSIMICHHE-OAQYLSRUSA-N 461.499 2.873 30 10 JFEE COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n32)c(OC)c1 261146770 OASXKSSRDUUVRV-HSZRJFAPSA-N 465.575 2.797 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 924213212 AVQYUNCIGRDTMP-KRWDZBQOSA-N 478.505 2.639 30 10 JFEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC[C@@H](O)c3ccc(O)cc3)C(=O)[C@]12C 1075947668 HDJQLGFFHYCRBY-SGKLPJTKSA-N 479.485 2.597 30 10 JFEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)cc1 1083942708 MDTAAEWMTOSEMZ-UHFFFAOYSA-N 489.403 2.997 30 10 JFEE CC(=O)Nc1ccccc1NC(=O)CCSc1nnc(NN=Cc2c(C)nn(C(C)C)c2C)n1N 1084182452 JJTPGUOHKHPZFG-UHFFFAOYSA-N 498.617 2.911 30 10 JFEE C=CC[C@@H]1N(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCCC1(C)C 1211694483 SVCAVVGHMRGSSZ-FQEVSTJZSA-N 456.630 2.771 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Cn3cc(Br)cn3)cc2)n1 1271204219 FZBMYRDIGNPTLN-UHFFFAOYSA-N 456.344 2.812 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccccc1OCCOC 1286362999 MJZIAVZYADNIEH-UHFFFAOYSA-N 482.610 2.690 30 10 JFEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 1286379711 BDTCRCZXWOZXRB-SFHVURJKSA-N 485.635 2.500 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1286380769 DFBTXDSIHJUPAJ-NRFANRHFSA-N 480.638 2.960 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286395800 OIAGQBNJXAIVHJ-JOCHJYFZSA-N 485.654 2.587 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC(=O)N(C)C)CC1 1286471472 KOZKIMYDPOFDOL-IBGZPJMESA-N 473.021 2.922 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286471754 OAXVUNGRIPFGEG-TZIWHRDSSA-N 468.577 2.571 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCn2cc(C)cn2)CC1 1286474151 CMHICQDXLLPFHO-UHFFFAOYSA-N 472.366 2.807 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1286486839 QFQSSKQFMSWUSV-CCLHPLFOSA-N 494.640 2.910 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2oc(CCC)nc2C)CC1 1286493251 MPXWGWRFYWSNKB-LJQANCHMSA-N 454.575 2.783 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286498641 CIFTUCDCSJAJMO-FQEVSTJZSA-N 460.401 2.933 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc(CCOC)no1 1286561542 ODNHIFMBOIZUHF-DYESRHJHSA-N 453.547 2.838 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286566346 HEGXZPIFWGTMCO-IERDGZPVSA-N 452.552 2.509 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286598333 GHRSGWZYIJJNRV-NRFANRHFSA-N 482.629 2.965 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286769180 WFXBHIPMPOIMCK-IBGZPJMESA-N 455.950 2.842 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1286813267 YUCYLRDHWWEYAH-VWPQPMDRSA-N 454.619 2.933 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCN(CC)S(C)(=O)=O 1300292458 YTACUSZZOSDYBH-HNNXBMFYSA-N 498.447 2.846 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1300305745 ZZGVVLKRBAZVAF-SNVBAGLBSA-N 469.855 2.918 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1300488923 XGDFIMXBXZLWQR-MRXNPFEDSA-N 479.393 2.775 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1300666243 YRMFGLZMXGLCFL-UHFFFAOYSA-N 452.559 2.993 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCOCCN(C)C)CC1 1300685573 QJTZGUMEMWTQEJ-UHFFFAOYSA-N 479.654 2.710 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCC2(C)C)CC1 1300688868 LQKXZXFNAWORMW-HXUWFJFHSA-N 455.628 2.930 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1300703832 UGEAAKNSFXBCSJ-UHFFFAOYSA-N 496.637 2.853 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2OC)CC1 1300710742 JRYKMPGMQDQBEK-OYRHEFFESA-N 480.613 2.861 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OCCN(C)C)cc1 1300788127 RPJZFRCGNQGNEN-FTJBHMTQSA-N 467.614 2.911 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCNS(=O)(=O)CC 1300817368 JKMUAJKXGORCCK-OAQYLSRUSA-N 463.629 2.510 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1300991968 YPGKHHBRJZVPAA-AUSIDOKSSA-N 495.045 2.610 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccncc2)C1 1301544474 XQWXMLFRYXPEGB-FQEVSTJZSA-N 453.568 2.768 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@@H]2COCCO2)C1 1301556014 DXTKJRXOBITHAA-PWRODBHTSA-N 491.633 2.979 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC(O)CC2)C1 1301558005 YNEJSQDKBBPYKU-IBGZPJMESA-N 461.557 2.775 30 10 JFEE C[C@@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCO1 1304932689 HQVOUGZJKUAIDU-MOPGFXCFSA-N 487.626 2.947 30 10 JFEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1305605066 HMEPCWWVJMFGJP-PMACEKPBSA-N 484.612 2.924 30 10 JFEE Cn1cccc1-c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(=O)NCC(F)(F)F 1314914557 AFAWLWFAHAYSPU-UHFFFAOYSA-N 487.486 2.882 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(OC)C2CC2)c1 1358900864 UMDGRFWDQNTCRL-SANMLTNESA-N 487.564 2.797 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(OC)CCCCC2)c1 1358902894 DHPMALGYJWIKIC-UHFFFAOYSA-N 478.597 2.806 30 10 JFEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1358910047 AUMVEDHHKSZDMF-GOSISDBHSA-N 461.570 2.706 30 10 JFEE C#CCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935278 CJLDUAQNLLKHGM-QRQLOZEOSA-N 471.606 2.503 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1358958301 LANQJEWEYAKAOT-LJQANCHMSA-N 485.635 2.896 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1358958795 WBYMGMHZNDOCCC-OAQYLSRUSA-N 498.605 2.855 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1359043604 ASTPVMIQKUUUBA-DENIHFKCSA-N 450.587 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[S@@](=O)C(C)(C)C)CC1 1359046408 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FCHHLKVSWYJVGK-SIKLNZKXSA-N 470.593 2.951 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1359276800 PXGCIIKRZLRXAH-UHFFFAOYSA-N 474.558 2.852 30 10 JFEE C=CCn1c(CCCc2ccccc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359289036 WVNJTZFIWHLWBK-XMMPIXPASA-N 452.647 2.871 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359304166 OOCUUZMDDZKYCW-UHFFFAOYSA-N 468.602 2.660 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCCS2(=O)=O)C1 1359317704 OKQTUNMHZRYORR-RBUKOAKNSA-N 476.599 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1359329683 QXRVQNVVBRRKAF-FQEVSTJZSA-N 465.583 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccccc2)C1 1359335019 XQJPLKSDQRIVSF-IBGZPJMESA-N 485.635 2.864 30 10 JFEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1435596698 KEJWAZZRDWEMQU-OAQYLSRUSA-N 454.548 2.739 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1463718658 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30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749729394 IAWLSTOLNXIPLC-HXUWFJFHSA-N 475.521 2.797 30 10 JFEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749761108 UUKOKYBPIDCRMI-UHFFFAOYSA-N 465.645 2.556 30 10 JFEE C[C@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCCO1 1752402460 FYWFEKFQMHQLED-SFTDATJTSA-N 495.676 2.744 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1760137616 LDTRWGZAJWICIR-NRFANRHFSA-N 455.628 2.927 30 10 JFEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760139480 DQPMSJIYDGYCBM-UHFFFAOYSA-N 464.661 2.688 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N(C)C1CC1 1760209203 YXRGMZOTIQEUQI-SFHVURJKSA-N 452.990 2.807 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC2CCN(CC)CC2)CC1 1760263399 ZPPMQHQHBYETRQ-UHFFFAOYSA-N 464.658 2.949 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C#N)o2)CC1 1760270827 BRMHGDGBSQVSIU-UHFFFAOYSA-N 458.522 2.644 30 10 JFEE 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30 10 JFEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc(OC)c1OC 170536700 GCNYQEZGOBQTNF-UHFFFAOYSA-N 486.488 2.686 30 10 JFEE C#CCOC[C@H](O)CN(CC=C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 245327901 LCYRQNCVLAAPBO-NFBKMPQASA-N 472.582 2.891 30 10 JFEE O=C(Nc1nnc(N=Cc2ccc(F)cc2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 254590166 MDISKPSQHYOFAI-UHFFFAOYSA-N 475.527 2.701 30 10 JFEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)[N@+]1([O-])Cc2ccccc2C[C@H]1C(=O)O 605695079 JBRUFGGWKYGTOV-FYPXXYLISA-N 454.523 2.580 30 10 JFEE in-vitro C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 609404235 LYQXMGROUBFFLZ-CYBMUJFWSA-N 456.490 2.936 30 10 JFEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](OC)C(=O)O 757197152 ANAHNRRHKFXVIF-DHIUTWEWSA-N 464.518 2.913 30 10 JFEE COC(=O)[C@@H](CC(C)C)N/C(C)=C1\C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O 1075998985 AHSHWMDROLHSNL-HLGWWNPCSA-N 471.506 2.746 30 10 JFEE C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@]3(O)[C@H](O[N+](=O)[O-])C[C@@]21C 1081168710 QGHTVEPSXYSMPN-HYANYTLRSA-N 457.479 2.694 30 10 JFEE Nn1c(NN=Cc2cc(Cl)cc(Cl)c2O)nnc1SCC(=O)NCc1ccc(F)cc1 1084014688 SNIOAXMDIHNJHN-UHFFFAOYSA-N 484.344 2.998 30 10 JFEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3sc(C(=O)OCC)c(C)c3C#N)n[nH]2)cn1 1084267561 WTMNTTHCWDMKRB-UHFFFAOYSA-N 499.582 2.782 30 10 JFEE C=CCc1cccc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1O 1084643333 DTISJCIUCIHYAH-UHFFFAOYSA-N 451.556 2.589 30 10 JFEE N#CCCN(CCN1CCOCC1)C(=O)c1coc(-c2ccc(Br)cc2F)n1 1142582187 BMWHPTKROOYDCG-UHFFFAOYSA-N 451.296 2.931 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 1152042255 QCKCHUDWBQNSSW-UHFFFAOYSA-N 456.973 2.780 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 1165508701 UMMPOFZNONQNKN-UHFFFAOYSA-N 458.536 2.913 30 10 JFEE Cc1ccc(C(=O)N2CCC(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)cc1 1226366503 AGLARCJIYCDNEL-ICSRJNTNSA-N 455.559 2.658 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](c1cccs1)N(C)C 1286363363 ROYCEFUATGQUSV-KRWDZBQOSA-N 471.656 2.980 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1286389636 NWJRSVQNUUCIJO-KRWDZBQOSA-N 450.511 2.822 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286396968 ZFUMVQFVMVSXLN-MZNJEOGPSA-N 492.592 2.715 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1286432567 OVDPXOACSHWFJK-AREMUKBSSA-N 485.636 2.985 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(C2CC2)C1 1286465230 KGKUAMXZANWCMJ-LEWJYISDSA-N 486.661 2.963 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ncccc2N(C)C)CC1 1286485663 UDKOITJOVQSWLG-QFIPXVFZSA-N 494.644 2.615 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286508279 POTIIYWNORVNMC-UHFFFAOYSA-N 466.533 2.525 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286510025 HIOJBHVRLWJRNF-RXVVDRJESA-N 459.591 2.520 30 10 JFEE 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475.619 2.870 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1 1286820176 GPYHDAIWHOHFLG-UHFFFAOYSA-N 475.659 2.941 30 10 JFEE Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1B1OC(C)(C)C(C)(C)O1 1290312607 NXPYBHYYXMVVFN-QFIPXVFZSA-N 450.388 2.925 30 10 JFEE Cc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)CC2)n1 1290901799 CJHIPPJTSUKGRM-QGZVFWFLSA-N 450.547 2.816 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNc1nccc(C(F)(F)F)n1 1298968810 DIEGBVXOFSUCQO-AWEZNQCLSA-N 487.490 2.556 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(C)C)c1 1299949504 FGRCMOLALWPURO-QGZVFWFLSA-N 462.558 2.995 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1300364755 MOHBXANFJREXPJ-PMACEKPBSA-N 484.605 2.823 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1300403845 QOPCFFSOLALITB-QGZVFWFLSA-N 477.569 2.709 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCS1(=O)=O 1300654035 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C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1358955796 UFMMKZMUMOFFQW-AZUAARDMSA-N 455.628 2.654 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1358967332 IKBHSGVCGUEOHA-WJFTUGDTSA-N 498.740 2.672 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccncc1Cl 1358987876 VVJKMZOKLDMXGF-UHFFFAOYSA-N 482.997 2.755 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC2CCCCCC2)CC1 1359031623 JGOSOTKCDBMYHB-UHFFFAOYSA-N 485.654 2.843 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1359032732 AYOBKFTXECFOCM-VWLOTQADSA-N 455.603 2.905 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cnn(CC)c2)CC1 1359042830 VRZBJTUBLSVLNK-UHFFFAOYSA-N 481.988 2.838 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC)c(OC)c2)CC1 1359044188 YUDIKOCQJDKMEO-UHFFFAOYSA-N 474.565 2.566 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCn2nc(C)cc2C)CC1 1359046122 FYONBZLPVTWCIE-UHFFFAOYSA-N 465.627 2.800 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCN(CC)C2)CC1 1359047040 OOAGXQNVFORZJL-QHCPKHFHSA-N 462.642 2.761 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOc2ccc(OC)cc2)CC1 1359047918 YNVYGYTXEQYRAN-JOCHJYFZSA-N 467.570 2.573 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359048382 OUAUULKTOZALJG-ZWKOTPCHSA-N 477.656 2.771 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1359091611 PKYOJCXXERTQES-SUMDDJOVSA-N 465.645 2.884 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1359092619 CZAQPCUOMHTEGO-DYXWJJEUSA-N 478.615 2.858 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359104181 YWHADCHZUDCSFZ-JLMWRMLUSA-N 478.590 2.991 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359191448 ZOAOHPRRRYYYCJ-UHFFFAOYSA-N 482.677 2.877 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1359204532 SFWOOMFVNQKMRI-ZWKOTPCHSA-N 462.595 2.658 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1359286425 PLALVTUDQAYSCP-UHFFFAOYSA-N 473.647 2.899 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359293062 FURDNXSBFSFPDX-IBGZPJMESA-N 497.575 2.786 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)F 1360480581 CKZFXPUKYPTAAK-GFCCVEGCSA-N 471.306 2.739 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1CCCCC1 1360712953 DUHQPJXRXSPRCY-UWJYYQICSA-N 472.615 2.918 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2COCC[C@H]2O)c1 1471324201 ATPNUANFQKDCLJ-UYAOXDASSA-N 450.944 2.601 30 10 JFEE COc1cc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)ccc1S(=O)(=O)N1CCCC1 1476166715 FXPYCORJUCRMCB-UHFFFAOYSA-N 456.524 2.646 30 10 JFEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1477813853 FABNXJAHZHHXRC-QFIPXVFZSA-N 450.587 2.722 30 10 JFEE C[C@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1494517474 DULCMQXCVBDJQC-MGPUTAFESA-N 480.386 2.979 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C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1507915889 GIZWDTSKWKFNIX-JOCHJYFZSA-N 466.630 2.823 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(N)=O)c1 1507980106 HFKCNXPBHGTXDD-IBGZPJMESA-N 470.574 2.550 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508075307 WALLFHPFNRFXKN-SJORKVTESA-N 490.402 2.881 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1508118423 XEBKPZXFMASAJS-OXQOHEQNSA-N 466.517 2.881 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](OC)C1 1508132469 YSWYFYZEDSYFIZ-QAPCUYQASA-N 454.980 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1508142509 TVRACKOZSOUAJM-FDFHNCONSA-N 479.691 2.864 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1508144651 WIZQZWPYXNBIGI-OAQYLSRUSA-N 472.567 2.937 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1508157748 ASJMCQCRXLODHM-IBGZPJMESA-N 472.590 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C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1690594839 HUMGZVFPUVBSJE-GOTSBHOMSA-N 485.654 2.741 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1690778636 DZPJCNMBWAZBNM-UHFFFAOYSA-N 459.554 2.814 30 10 JFEE COCc1nc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cs1 1697829138 DHAVVDBDTPTOPS-HOCLYGCPSA-N 458.519 2.937 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](SC)C(C)(C)C)CC1=O 1698096051 BSHZNQRXQYAGII-HXUWFJFHSA-N 486.642 2.801 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1705516603 FQKMYIRECQJTJI-FQEVSTJZSA-N 476.046 2.959 30 10 JFEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705523869 ASPYTHMKKHMSBY-FQEVSTJZSA-N 459.616 2.920 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705563664 BUGMNDOJXHNHGA-RTBURBONSA-N 493.029 2.811 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705575224 DCBDDZONASMCLK-QZTJIDSGSA-N 473.419 2.618 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](C)C2)CC1 1705639989 AUIBZPLXAFKMPY-HBMCJLEFSA-N 472.634 2.778 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cnn(CC)c2)CC1 1705651157 METCZDOOHMIVCN-UHFFFAOYSA-N 475.597 2.650 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705663081 VWQDZZNPHGDSSM-BGYRXZFFSA-N 487.743 2.995 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(N)=O)CC1 1705698283 RRLJFGHPAPDCPT-UWJYYQICSA-N 455.559 2.645 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705733274 KURXSVXUHHIZDP-UHFFFAOYSA-N 471.986 2.848 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cn(CCCCC)nc2C)CC1 1705768861 BTMHJVSQJIHQCZ-NRFANRHFSA-N 491.662 2.511 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 1705792004 KKWXJTUBSWPVPI-FQEVSTJZSA-N 477.631 2.858 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705830449 PTHJHYSLEAAFKW-RTBURBONSA-N 497.662 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C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1589117119 UIAVCRXRKOWOMN-LJQANCHMSA-N 470.574 2.773 30 10 JFEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1589394249 AAWBSTQAZPCPQY-UHFFFAOYSA-N 472.347 2.594 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1589529892 PWSBWDQWKOJNRB-POHUPDAJSA-N 475.634 2.521 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589556231 AYQRPLXJEDXYQI-NVQXNPDNSA-N 496.656 2.505 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1593711492 DPJBWXNNCIMTLL-RTWAWAEBSA-N 489.642 2.651 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1594004106 UAHFVEDKMYXSMN-CGXNFDGLSA-N 467.058 2.749 30 10 JFEE C=CCN(CCOC)c1nnc(CC2CC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1595303067 LPWOEIZDSQHJBZ-HSALFYBXSA-N 461.607 2.894 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CCCO)CC1 1595536460 ASOWTBQXMYBEIK-UHFFFAOYSA-N 450.543 2.891 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1595649142 MDMVUVFVJRMAPS-WIYYLYMNSA-N 489.642 2.897 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1595658606 HNQDAKFLILVKCN-INIZCTEOSA-N 455.950 2.866 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)COCCO2)C1 1595753372 HQYNULASBCJVIM-JXQFQVJHSA-N 477.606 2.937 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595772557 CHMFANYVLXLGHX-HSZRJFAPSA-N 459.616 2.545 30 10 JFEE CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1615380584 DCBWDIMJKQFOBO-QFIPXVFZSA-N 493.637 2.978 30 10 JFEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1616520246 ICQXBMSPUUVJST-MNLRITNHSA-N 473.599 2.557 30 10 JFEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)N2CCOCC2)cc1OC 1619188376 COSLFMGLNYLCAR-SFHVURJKSA-N 454.575 2.813 30 10 JFEE CCNc1ccc(C#N)cc1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1630538719 HWYHXQOBVAMKTB-UHFFFAOYSA-N 454.556 2.698 30 10 JFEE C#CC1(NC(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)CCCC1 1644433371 AYMMXGPLJJQGKM-UHFFFAOYSA-N 452.349 2.811 30 10 JFEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)C1 1644638633 WGIZXRISWMEHQJ-IBGZPJMESA-N 459.999 2.988 30 10 JFEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)CC1 1659058652 GSWFRIMKNGYOGJ-IRLDBZIGSA-N 455.603 2.635 30 10 JFEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 1662170523 HLFWAWXIPWBKDG-LSBZLQRGSA-N 458.374 2.589 30 10 JFEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 1666520103 OIPSGYHUUQEQEN-CTNGQTDRSA-N 473.551 2.965 30 10 JFEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2 1683536006 DZXDBDHLYPAVQS-QGZVFWFLSA-N 450.543 2.510 30 10 JFEE COC(=O)[C@@H]1CN(C(=O)NCC2(C#N)CCOCC2)C[C@H]1c1ccc(Br)cc1 1687829732 DAFLHYXHCIOWLD-DLBZAZTESA-N 450.333 2.667 30 10 JFEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1689907506 ARDCSSFTQZWTAG-IFMALSPDSA-N 479.629 2.821 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1689948590 ZRLLOYUDCZEHCJ-VWLOTQADSA-N 459.635 2.812 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1689982976 YCSFIIXMNNFVAK-QGZVFWFLSA-N 478.640 2.731 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1689989949 KBQGOMIOJUQMCP-PZJWPPBQSA-N 483.638 2.547 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1689992932 RBIQIXSBZWQSAA-LJQANCHMSA-N 462.591 2.697 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993478 FGTSWJDOAIPLOH-IRLDBZIGSA-N 483.638 2.969 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CN(CC(C)C)CCO1 1690036118 VXCHZTKHSKJCMC-LJQANCHMSA-N 473.419 2.855 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)N1CCOCC1 1690039428 FJROUFASCFISBL-UHFFFAOYSA-N 451.571 2.536 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2CCOCC2)CC1 1690124886 WJRTULCQWTTXOZ-UHFFFAOYSA-N 486.661 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690143000 ZDFNXGGTUYAPIG-QFIPXVFZSA-N 453.635 2.616 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1690182961 INENVNJHDAGMLI-UHFFFAOYSA-N 498.609 2.628 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1690196618 QYNBWWOYNORIEJ-OAQYLSRUSA-N 470.375 2.874 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1690320652 ZDCHSKUDPSWXEN-NHCUHLMSSA-N 457.623 2.850 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](F)COC)CC1 1690411645 RDNOTSJVNCYZBX-ROUUACIJSA-N 453.559 2.973 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690437353 AIBOHCWVIDLJEF-UHFFFAOYSA-N 498.603 2.870 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1690481537 IEMMJPXUZUIELP-UHFFFAOYSA-N 451.575 2.992 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1690622768 XQLIMFRKFKGTIM-INIZCTEOSA-N 481.338 2.521 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690675906 JFFCETBBLIVVET-HNNXBMFYSA-N 486.926 2.886 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCSC2)C1 1690714422 MJJFIXNRNZTLJB-STSQHVNTSA-N 479.647 2.999 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC#N)C1 1690809419 IJWLXBUTSIIEPU-HOJAQTOUSA-N 489.621 2.583 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1695938975 BCJUBADZKGGXTN-BGYRXZFFSA-N 494.644 2.556 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCCC2=O)c1 1705480958 ZLVWYVQSANQLQM-UQBPGWFLSA-N 451.571 2.952 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCc2nnc(C)s2)c1 1705506699 GIPUEEKPQCPXTG-GOSISDBHSA-N 465.583 2.631 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccc(C(F)(F)F)n1 1705545175 RXZKWUFUCVVQKU-UHFFFAOYSA-N 478.500 2.727 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705560640 JCHMZIDLPWFFSG-FQEVSTJZSA-N 492.045 2.874 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1705561840 UVNAWEALIQGRQN-OAQYLSRUSA-N 456.612 2.801 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1705563858 HBTOZQPAVZHTBA-CQSZACIVSA-N 496.540 2.685 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705567076 TZPRSLHARJQYJI-KRWDZBQOSA-N 473.986 2.805 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1705568008 FKMSNJCRCDXERS-QZTJIDSGSA-N 494.564 2.928 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705578574 YDBUFLZCVVMXSM-FQEVSTJZSA-N 451.534 2.558 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705625868 ZUGOLARLURDFLH-OAQYLSRUSA-N 476.556 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1705650082 LGNFHRMDYPUENM-VWLOTQADSA-N 496.612 2.646 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cn(CCCC)nc2C)CC1 1705650343 PGUUCJIBGNWZDY-UHFFFAOYSA-N 494.669 2.953 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1705650567 UUEGVZKACNKBAK-JOCHJYFZSA-N 485.636 2.750 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705665487 VIKRICYWUDPTQY-TUNNFDKTSA-N 490.718 2.600 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1705671068 UREONTAOBQAHLM-RPBOFIJWSA-N 453.587 2.800 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1705678154 PVZIVQINBXIZKV-OYHNWAKOSA-N 466.533 2.724 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705690698 DVIVFUHQUFULJR-LJQANCHMSA-N 485.379 2.920 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705691536 GTVGNNNQPGZCDJ-UHFFFAOYSA-N 491.438 2.776 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705764370 WPWPPFAROOFRAQ-RUZDIDTESA-N 472.586 2.903 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705793134 NJGRUUMKXARKSB-UHFFFAOYSA-N 484.620 2.591 30 10 JFEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCOCC1 1705835662 QHDFKRVVYBHDCY-VWLOTQADSA-N 455.603 2.821 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl)C1CC1 1705854030 HJJPGKWJTUBPND-VFNWGFHPSA-N 450.992 2.896 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705871513 MZANBQJSSSBZMM-UHFFFAOYSA-N 477.573 2.966 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H]1C(=C)C 1705883567 NAUDWZQMRVKYAJ-GCJKJVERSA-N 464.570 2.812 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)Cc1ccc(F)cc1 1722295702 YGQSZHIZJGNFTD-SFHVURJKSA-N 483.617 2.967 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)SC)c1 1722306383 QVZYESVQPLXTEO-UHFFFAOYSA-N 454.600 2.712 30 10 JFEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1722319574 NQICEMJZZKRACG-QFIPXVFZSA-N 464.614 2.963 30 10 JFEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722327726 SSCODECTKOEUNB-FQEVSTJZSA-N 470.595 2.781 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC(N)=O)CC1 1722334345 XHJDTJVFOWFXFE-IBGZPJMESA-N 458.607 2.898 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722370803 DWISZZFKHVHTQN-SFTDATJTSA-N 472.611 2.670 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(N(C)C)CCSC1 1722407145 ZUCSOPFFYZTCTF-HSZRJFAPSA-N 459.616 2.868 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1722434591 WEWABHLCHOFHGC-DEOSSOPVSA-N 466.630 2.838 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722436084 WGFUMPWGTGSZKS-GOSISDBHSA-N 484.601 2.631 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCCCCC2)CC1 1722439016 KYCMGKMTIJCGKW-UHFFFAOYSA-N 452.578 2.556 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@](C)(O)C(C)C)CC1 1722445691 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CS(=O)(=O)CC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCC#N)CC2CC2)CC1 1731002404 DZWUNNSOSUALNU-UHFFFAOYSA-N 481.420 2.991 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCSCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740615631 IDSHQBPHQJBCOQ-FQEVSTJZSA-N 493.743 2.954 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1740620240 CMJQVCJCRYSKEA-GOSISDBHSA-N 486.667 2.907 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740623493 VGDKZDGQSQIXKS-KRWDZBQOSA-N 479.002 2.891 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(Cl)cc1 1740717070 ILOKTTYPLPJGMT-INIZCTEOSA-N 469.032 2.715 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1)c1ccccc1 1740854367 FQMRELDCHXCWPR-TZIWHRDSSA-N 471.627 2.993 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740918046 JQKAKYNBHWUTFY-XJUOHMSHSA-N 487.670 2.872 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740951603 JGGFFBQBNUFHLF-UHFFFAOYSA-N 459.501 2.633 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cc(C)cs1 1740953269 ZXSNDVSMCKVBMX-UHFFFAOYSA-N 487.655 2.855 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1740964890 JGRWYCZNVPLOBI-UHFFFAOYSA-N 488.621 2.774 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2nccs2)CC1 1748352902 FINQZKQSBZQRKW-INIZCTEOSA-N 467.555 2.877 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CNC(=O)OC(C)(C)C 1748664293 FUAQTYRUQPKBPC-SJORKVTESA-N 479.585 2.811 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCN2CCOC[C@@H]2C)c1 1748694761 NJHIQKDASYTFRQ-IBGZPJMESA-N 478.622 2.707 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1748719154 VMZOQMVRDRPTIJ-QYZOEREBSA-N 469.677 2.525 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748808073 HLWXRVWVRYLCOR-HUUCEWRRSA-N 497.440 2.741 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748820716 HYZOYTMMWSZRHT-VQTJNVASSA-N 469.611 2.792 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748824149 JWBMBOGDQMLJNW-QUCCMNQESA-N 481.018 2.808 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCCCS(C)(=O)=O)CC1 1748978593 NWGRQOJUULWYQY-UHFFFAOYSA-N 494.459 2.678 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2c(F)cccc2F)CC1 1749008636 FLVXUTPHRQIUCJ-UHFFFAOYSA-N 450.493 2.827 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749026721 HNIWHRMQXOEYOH-UHFFFAOYSA-N 468.048 2.825 30 10 JFEE C#CCSCCn1c(N2CCC[C@H](OCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1749048596 RLOFMWGANTXUDW-LPHOPBHVSA-N 462.538 2.844 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1749069231 WNWUNGXFECZNJF-DQMJNTIXSA-N 461.607 2.986 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1749109246 GGZDOSYKLNRJTJ-UHFFFAOYSA-N 464.412 2.932 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)C(=O)NC 1749126623 FHDHLRHXUJALDO-JQVVWYNYSA-N 463.586 2.930 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749402157 KQOILXKWOLXYQI-YRPNKDGESA-N 451.637 2.982 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1749548771 JEVLBIZSZJEEFB-UHFFFAOYSA-N 498.638 2.626 30 10 JFEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CCCC1 1749629599 CXDYYMZQWMRDMW-UHFFFAOYSA-N 466.586 2.994 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1749685936 NNZOHBVSTUVQKN-HSZRJFAPSA-N 452.584 2.949 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749741330 YEXMUZSJPBMGJE-OAQYLSRUSA-N 498.653 2.894 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1cc(C)oc1C 1760103018 WXLPGPKAXQRQQX-GYCJOSAFSA-N 485.610 2.771 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760110282 NGJSULXZBHSJRT-FHWLQOOXSA-N 487.674 2.584 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(C(=O)OC)CC1 1760178904 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1760304725 DRZJCMVJVACTTM-UHFFFAOYSA-N 471.363 2.764 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760349029 WPSKKMSXSOIFNW-SFHVURJKSA-N 482.651 2.786 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760379598 AKFUFYSJFLFTMP-LJQANCHMSA-N 461.010 2.834 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760414789 CTXQKKGGDXTAGV-UHFFFAOYSA-N 479.629 2.764 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1760484369 WZYFAXUQFAJGJZ-UHFFFAOYSA-N 477.606 2.946 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1760495094 FDTQOFOBESCLTD-IIBYNOLFSA-N 450.992 2.920 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C1 1760536183 DTMHLKASHAVDCT-HNNXBMFYSA-N 451.369 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2)CC1 1760557016 XMJYFFSRVVOQOK-UHFFFAOYSA-N 472.640 2.561 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760557291 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30 10 JFEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1304983428 DNMLOQCEDRXNLH-GOHWNWGWSA-N 479.629 2.906 30 10 JFEE C#CCN(C(=O)NCC[C@@H]1CCCS1(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1313219232 MSWOLXSZOLRNOZ-RDJZCZTQSA-N 455.374 2.885 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2csc(COC)n2)c1 1358904132 WARZLRUHVPUMJP-LJQANCHMSA-N 466.567 2.837 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1358943005 RUMZDZJOUYKHAX-HNNXBMFYSA-N 451.390 2.910 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358956159 BGODGVHLIXDDBU-OAQYLSRUSA-N 497.665 2.537 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1358959314 GKZRDCANHZLKFN-FQEVSTJZSA-N 457.625 2.833 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358965285 RPLGJOKRJSZGCJ-UKSYNSBOSA-N 467.620 2.974 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1csc(CC)n1 1358971334 QTVRPXGYXCHBOA-UHFFFAOYSA-N 467.624 2.687 30 10 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C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1508143508 ZQLQRKUZOLHPTL-JOCHJYFZSA-N 473.643 2.751 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1508148898 YGSUGCZYJQFSDQ-ZDFPQIBNSA-N 474.627 2.985 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NCc1ccccc1 1508701099 DJPPFTNFRVUVPI-TUNNFDKTSA-N 466.586 2.632 30 10 JFEE CC(C)NC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1509753284 DSYIRNYUDBXFSU-OAQYLSRUSA-N 451.575 2.633 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccn2)CC1 1539049028 DUAURNFTALOWKT-UHFFFAOYSA-N 455.364 2.956 30 10 JFEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCNS(C)(=O)=O 1539052716 RULRYWXLAFFKFD-UHFFFAOYSA-N 460.423 2.558 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1539220760 VETJDEALQUNCJZ-INIZCTEOSA-N 491.589 2.895 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CC)nc1C 1539393015 ZDTTVZAWBCGVJR-SFHVURJKSA-N 471.558 2.866 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCCC(=O)N(C)C)CC1 1539435945 FCGBJUKCPNAPHS-UHFFFAOYSA-N 476.581 2.741 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1539890006 GRAWHUWAYPHHFQ-NRSPTQNISA-N 481.663 2.609 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539906867 VCLDIJTZFSJRRU-XLIONFOSSA-N 471.627 2.913 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1540037011 ZIABZTXHWPQWFR-FCHUYYIVSA-N 474.627 2.913 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1 1540182000 FLMPIXAUUOLWTH-QFIPXVFZSA-N 454.556 2.622 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1540855854 BNFAEWAZQYHHPR-PMACEKPBSA-N 482.629 2.775 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(F)(F)F)CC1 1540869149 CYOUTJIEHHXJFN-UHFFFAOYSA-N 475.475 2.587 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccnc2)C(C)C)C1 1540893186 YLLLJIJNMPLVMF-HBMCJLEFSA-N 459.616 2.796 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(F)(F)F)CC1 1540906991 IPHKINVCUIASSB-UHFFFAOYSA-N 491.561 2.649 30 10 JFEE CC(C)NC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541697241 AWEYTLXDHYWOQY-GOSISDBHSA-N 492.559 2.675 30 10 JFEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1545661473 ACTSNDRKUGUXLQ-OXQOHEQNSA-N 450.547 2.816 30 10 JFEE CN(C)C(=O)[C@@H]1CN(C(=O)Cn2cccn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376649 DORBLTZJZIHJLY-FQEVSTJZSA-N 488.514 2.607 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)N2CCCC2)c1 1587684030 RBWGWOWPHDJJEB-QHCPKHFHSA-N 491.640 2.691 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@H]2OC)c1 1587697024 HVWLQATWAQYITI-QRVLJTFESA-N 481.597 2.873 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1587861792 PSASRAALNREMHL-RBUKOAKNSA-N 487.626 2.692 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1 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C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1595649774 UXDACCGUINLNKX-UHFFFAOYSA-N 451.531 2.570 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1595788495 BEKXHYRZVGEUKL-QGZVFWFLSA-N 484.626 2.665 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1595830789 HCKRKJQMOMDXDK-XXBNENTESA-N 478.590 2.664 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595837823 FXDQAPDPISAXFD-QHCPKHFHSA-N 454.600 2.925 30 10 JFEE CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1597019203 CVZGCRZXYSWLKH-MRXNPFEDSA-N 459.547 2.844 30 10 JFEE CCOC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1616039629 BFQJSAVAEWEFDQ-UHFFFAOYSA-N 452.563 2.902 30 10 JFEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCNC(=O)c1ccc(Br)cc1 1617071444 DZLXFSFZJLNTNS-UHFFFAOYSA-N 453.300 2.719 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2occc2CN2C(=O)Cc3ccccc32)C1 1624812990 BOELDPBXOOQYNT-MSOLQXFVSA-N 450.495 2.858 30 10 JFEE 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C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1690051116 MVVJBXCVEXPUEL-IBGZPJMESA-N 475.622 2.765 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1690186762 UQKVTCXDKGSTKP-JOCHJYFZSA-N 454.644 2.754 30 10 JFEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690225588 DSSJFLWVYBQPDY-SFHVURJKSA-N 488.434 2.772 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690246016 PWGPXALYVHDWJZ-FYYLOGMGSA-N 458.651 2.907 30 10 JFEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN(CC)S(C)(=O)=O)CC1 1690384621 ZBOFLCHWWMMPFV-KDURUIRLSA-N 496.678 2.877 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690453945 ODBFVHTXUSUMRS-WOJBJXKFSA-N 457.600 2.952 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1690597490 VNHSOZZNZGQXMW-IBGZPJMESA-N 481.569 2.949 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690644465 NBIJDMLDRQGVME-QZTJIDSGSA-N 462.595 2.515 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(F)F)c2)C1 1690685757 CPSUDNNQQZSRFW-CRAIPNDOSA-N 469.558 2.830 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2cc(F)ccc2F)CC1 1690715880 XEIUBTFXDXMWMR-INIZCTEOSA-N 453.559 2.997 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1691215749 BDHWFMCMDYNJIT-FQEVSTJZSA-N 481.601 2.785 30 10 JFEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1Cl 1696599507 GODABQIOCDZSGT-YLJYHZDGSA-N 477.034 2.876 30 10 JFEE CS(=O)(=O)CCCn1c(Cc2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1698304768 DRMLRUAKOSYQMP-UHFFFAOYSA-N 462.579 2.864 30 10 JFEE N#C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCCN2CCCC2)CCO1 1698492135 AXCPBDXPSVGXGG-LJQANCHMSA-N 475.391 2.834 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1705549620 CAGCPOPVIMGTCU-SFHVURJKSA-N 463.586 2.858 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705562731 IRFWSLWBGIJQHA-XJUOHMSHSA-N 499.681 2.948 30 10 JFEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1705565275 GFPHBQYHCFWZNS-KRWDZBQOSA-N 468.501 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1705593696 UKTKEGFUNOJRGQ-OAQYLSRUSA-N 465.598 2.925 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1705631595 JPWGUDYKKOVJBZ-UHFFFAOYSA-N 464.614 2.633 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCNC(=O)c2ccco2)CC1 1705636427 JSZMZNMUUHVSET-UHFFFAOYSA-N 492.580 2.519 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)N2CCCC2)CC1 1705644602 WSNOEWZXWIVRHM-FQEVSTJZSA-N 452.603 2.972 30 10 JFEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705689903 DBHONTCLVRUKCN-FQEVSTJZSA-N 487.446 2.715 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1705700850 ZCWRGJHFLCTUKH-BXWFABGCSA-N 466.007 2.846 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 1705755561 VKNMFPBBGZAMHO-OAHLLOKOSA-N 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1300770155 OLKWHUYMCBXRPL-UHFFFAOYSA-N 478.416 2.655 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCCC(=O)NC 1300871010 WRXILRGFFMHUQI-KXBFYZLASA-N 479.423 2.990 30 10 JFEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301050046 JAHMOQGJBXGLST-UHFFFAOYSA-N 455.950 2.777 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1301197313 RORGKKCCTACCKP-QGZVFWFLSA-N 465.562 2.720 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301506020 FIFMRMSJPLGUGN-SFHVURJKSA-N 451.600 2.511 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1301529969 OPVVUUJIPNCNQV-RXVVDRJESA-N 489.642 2.754 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CCOCC2)C1 1301542309 AKTDBWSOTNVZNT-FQEVSTJZSA-N 489.642 2.793 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCCC2)C1 1301568277 QJJYWJCWRJEAHS-ZCNNSNEGSA-N 460.623 2.926 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1301568302 QPTXZXDLWNGJMA-OKYOBFRVSA-N 473.540 2.668 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1301608909 BIJDVXLXCFUHGU-SFHVURJKSA-N 475.018 2.651 30 10 JFEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1303366896 CMHITLAFDVZJQV-IBGZPJMESA-N 454.428 2.848 30 10 JFEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[C@@H](O)C2)cc(OC)c1OC 1315298385 CSWYSBPRKCSUNN-YAEBDLLGSA-N 459.522 2.964 30 10 JFEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1316335157 AXMDMBDXFDCFLL-QGZVFWFLSA-N 475.525 2.860 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C[S@](C)=O)cc1 1358886202 ZTRZTOWIQDBZNY-GTOJURISSA-N 484.651 2.623 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1358889354 AORJASPSJXMUTM-GOSISDBHSA-N 480.617 2.777 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358907872 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359096635 FCQUQGYNKYZWFO-AEFFLSMTSA-N 481.523 2.555 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1359099810 TVWMTMCTGGCRLS-VJBWXMMDSA-N 499.637 2.686 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359128885 ISRQCLCKACAVHW-SIKLNZKXSA-N 470.618 2.818 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359210586 YZZTYSANRPSBTM-LJQANCHMSA-N 466.629 2.718 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1359265772 LSBVINOHGROMGO-UHFFFAOYSA-N 454.522 2.853 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359283127 TVJPWYSGBZDAQN-UHFFFAOYSA-N 469.977 2.975 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359302428 HJFSYFGXZLULBH-DOTOQJQBSA-N 460.604 2.582 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)Cc2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359335664 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C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)OCC)CC1 1507738067 IZSFMCTYAHQRGJ-UHFFFAOYSA-N 475.597 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507738751 XKOQIWFHVFJQQM-GOSISDBHSA-N 464.492 2.582 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1507797541 LXZBODUSFMCZGD-FSSWDIPSSA-N 489.642 2.537 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1507820652 JNJKROJCGFGIRH-HYJWCJBQSA-N 467.636 2.900 30 10 JFEE C=C(C)COCCn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507848242 IKIXAXHJWZVRJZ-NQIIRXRSSA-N 475.556 2.984 30 10 JFEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507870058 CNHSTKBISFYJTN-UHFFFAOYSA-N 490.939 2.917 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1507878353 VHKGRWODTLGYGI-QFIPXVFZSA-N 461.657 2.942 30 10 JFEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)N2CCSCC2)CC1 1507879055 OMSDEAPMVGCJDQ-UHFFFAOYSA-N 451.593 2.619 30 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2.779 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc([C@@H](C)O)cc1 1539265662 IQKGEDNEHWDUOQ-HXUWFJFHSA-N 455.566 2.627 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(O)(CC)CC)CC1 1539489189 RTGYCYSJYYIZFF-UHFFFAOYSA-N 467.614 2.991 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1539539538 VLFJCVZKBLTOHH-ZILOHOTNSA-N 470.643 2.718 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1539592543 GEZCVCUOEOLXNE-UHFFFAOYSA-N 464.368 2.948 30 10 JFEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539674103 JNBCNKVUVXQREC-UHFFFAOYSA-N 451.575 2.921 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539729649 QPZXUMRGQUTZBR-SFHVURJKSA-N 476.379 2.940 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1540854988 RYEWTXLPHHNYBO-SFHVURJKSA-N 454.531 2.567 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540865317 BTBWXZAMWSWFSD-UHFFFAOYSA-N 466.542 2.908 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540874395 FRSOKYHDXUIJGA-UHFFFAOYSA-N 497.669 2.780 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1540877125 LKGMFUNNRXMFTE-KHYOSLBOSA-N 482.006 2.597 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C#N 1540899610 VDTKFZUDMWHEMM-GFCCVEGCSA-N 458.407 2.966 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1540899715 YKQDFLNPZFDHED-GGAORHGYSA-N 487.670 2.655 30 10 JFEE C[C@@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1cccc(Cl)c1 1541954187 DRNBABKXGYLWSW-FGZHOGPDSA-N 469.908 2.928 30 10 JFEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)N1CCCC1 1546010068 DVWIZGXEIFINDQ-OAQYLSRUSA-N 465.602 2.695 30 10 JFEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1cc(C)[nH]n1 1548380343 XEBMSAUEMWUMQY-LJQANCHMSA-N 474.487 2.856 30 10 JFEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)C1 1554356171 GIGLWXMWHJBZFE-AREMUKBSSA-N 495.628 2.624 30 10 JFEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CC1 1568994732 CEVPCTPOLVDWHI-UHFFFAOYSA-N 459.499 2.854 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588050941 YGRCETTUFLRHJD-IBGZPJMESA-N 470.624 2.755 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1588073736 COBREOUKWRUEBJ-FGZHOGPDSA-N 471.627 2.651 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCN(CCN(C)C)CC1 1588193334 BDHZNQJLOSQDOD-UHFFFAOYSA-N 463.586 2.590 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1588482319 QOVRDXLBXKRJJY-GOSISDBHSA-N 483.617 2.967 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CN(C)C1=O 1588605031 WJQHKIUBYBSXOD-NRFANRHFSA-N 460.376 2.580 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588751778 MSZAFMWUCPXXQN-QFIPXVFZSA-N 489.487 2.900 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CSCCS2)CC1 1588762152 FLLDSBHGVUBPIC-HXUWFJFHSA-N 459.641 2.566 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCNC(=O)C(C)C)CC1 1588864761 JXJBVXSUSLXIAY-UHFFFAOYSA-N 466.630 2.816 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cnn(C)c2)CC1 1588899896 ZXZXITHMJGTMSH-UHFFFAOYSA-N 488.415 2.517 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCC[C@H]2C)CC1 1588961935 QCKSIXRAFGGDGL-JIPXPUAJSA-N 479.625 2.991 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1589037382 YORZTURYIUWYDU-QGZVFWFLSA-N 469.611 2.824 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1589570883 XCWLSHIBMMKJSD-DENIHFKCSA-N 457.550 2.897 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1594811959 ASUYHVRWVKECGR-KBMIEXCESA-N 488.633 2.702 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1cccn(CC)c1=O 1595085592 YEIGLBHLDMQZHZ-UHFFFAOYSA-N 471.565 2.808 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccnc(C(C)(C)C)n2)C1 1595721508 GOHAIHDBVRFSMP-ICSRJNTNSA-N 488.658 2.682 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1595878104 IMCYDJAXHQDDKG-VXKWHMMOSA-N 457.644 2.947 30 10 JFEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595900612 HCRUYEJLENAXEM-DEOSSOPVSA-N 484.626 2.899 30 10 JFEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nnc(C)s2)CC1 1596127725 ZHECOGMWEUWBDI-UHFFFAOYSA-N 480.598 2.580 30 10 JFEE N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 1617146031 AEJIPWOYGWRRNO-LJQANCHMSA-N 456.319 2.979 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1617942370 ANZVJFJRZAZBIZ-IPJJNNNSSA-N 454.596 2.737 30 10 JFEE Cn1cnnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1618455948 GQDZSMYGOXFZPD-KSFYIVLOSA-N 455.567 2.657 30 10 JFEE C=CCC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1623969598 OVIQWKFYHZTXCB-GGUMNFRJSA-N 450.535 2.814 30 10 JFEE CCOC(=O)c1csc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)n1 1627902223 AVILPLMQAPLWER-MRXNPFEDSA-N 457.531 2.506 30 10 JFEE Cc1occc1-c1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n(CCO)n1 1627968366 BPXMDAHARFAZFF-HNNXBMFYSA-N 453.886 2.961 30 10 JFEE C=CC[S@](=O)(=NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)c1ccccc1 1640208658 SIJNMJMTPLWIHT-MUUNZHRXSA-N 454.595 2.747 30 10 JFEE Cc1ccccc1CN1CCC(NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1654407323 HPEADUYRGDROPL-JOCHJYFZSA-N 455.603 2.521 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC(C)CC1 1689831224 HNWXIRRCIHFTII-GOSISDBHSA-N 457.648 2.736 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOC[C@H]1C 1689850647 FSQRSYMIVODIJY-RBUKOAKNSA-N 460.623 2.571 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2csc(CC)n2)c1 1689870059 AGBPVVVZTUZQJB-UHFFFAOYSA-N 474.594 2.996 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1689892382 DIKVYVURQILXAK-HXUWFJFHSA-N 483.638 2.691 30 10 JFEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1689928150 IEVCAPGUZCYHCK-LAUBAEHRSA-N 452.559 2.741 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1689949192 UCEJZLLVWDAANX-QZTJIDSGSA-N 457.648 2.736 30 10 JFEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccsc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689988541 REYIWZPRWRCWFU-VQTJNVASSA-N 461.657 2.927 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689988635 SXIWTVKGQXYOFI-MSOLQXFVSA-N 490.630 2.545 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1csc([C@@H](C)OC)n1 1690013508 RKKYUDHAICEFGP-QGZVFWFLSA-N 487.589 2.960 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690113903 XPRFCWNJNYBYHY-VXKWHMMOSA-N 455.628 2.543 30 10 JFEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1690130939 QDHQDMMTSPKEGM-UHFFFAOYSA-N 453.587 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690146335 LOPFIVYWLOZPAI-XJUOHMSHSA-N 470.662 2.854 30 10 JFEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690219502 GODICGTVJBUCIT-DZGCQCFKSA-N 465.327 2.680 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690228121 NUWIXVNZNHKXFN-KRWDZBQOSA-N 458.364 2.674 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(CCS(C)(=O)=O)C1CC1 1690244605 ZTFQKWWYTNWYSV-LAUBAEHRSA-N 460.600 2.948 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690303302 WZDZWZQEGCLXLJ-FQEVSTJZSA-N 452.559 2.732 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690508226 DJEZMHKHRJQSLF-ZCNNSNEGSA-N 488.633 2.700 30 10 JFEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)C)CC1 1690508802 QBSPAYUKNRMIJV-UHFFFAOYSA-N 454.623 2.575 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Br)cn1 1690518404 IPPDHSMAYOBCBQ-UHFFFAOYSA-N 465.377 2.630 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690626130 YWFHJDAKYHAEMF-FQEVSTJZSA-N 479.629 2.903 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690662025 OPZFULDVTLCXIB-OAHLLOKOSA-N 476.423 2.649 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(F)(F)F)CC1 1690668960 OVCPSBMNMVVRIE-UHFFFAOYSA-N 489.502 2.663 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1690677898 DQISTQOZHVHEJR-QFBILLFUSA-N 454.531 2.586 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1690731513 KIIKBAIPXOGLBR-MXBUBSDBSA-N 466.648 2.934 30 10 JFEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1695840025 BYDFGTBTFLBVHX-LEWJYISDSA-N 456.616 2.705 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1SCCc2ccccc21 1698058221 CHHNNWZWBHHBCP-FQEVSTJZSA-N 454.600 2.911 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1705504679 ASTYCNDQUJXWNE-LPHOPBHVSA-N 454.575 2.863 30 10 JFEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705511278 ONJZLIOAWXIUHI-KRWDZBQOSA-N 484.511 2.882 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705563429 XMEQLJUAGWBKOX-QFBILLFUSA-N 478.018 2.530 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1705567868 BEHDIDZFADQVOE-OALUTQOASA-N 489.548 2.791 30 10 JFEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705600586 FLZIJBMETMQNIG-ISKFKSNPSA-N 495.649 2.567 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705607347 ZSOMIYQIOUMWAL-UHFFFAOYSA-N 474.569 2.898 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705625097 WWKNSYATUUXFCG-HXUWFJFHSA-N 471.565 2.571 30 10 JFEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1CC2(CCOCC2)C1 1705630253 LUWZGZSPUWUDCT-UHFFFAOYSA-N 457.600 2.562 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)NC(C)(C)C)CC1 1705642236 MHMUINQEAQVTME-UHFFFAOYSA-N 452.603 2.534 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705684232 KCVHEAJZPAQGLD-INIZCTEOSA-N 477.363 2.920 30 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C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722456401 YNNHXDDMMYCKJQ-UHFFFAOYSA-N 452.584 2.950 30 10 JFEE C#CCSCCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722464444 GKGJDJIDMBXXPA-XMMPIXPASA-N 488.658 2.612 30 10 JFEE C=C(Br)Cn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722489619 QSIMBLGJMCMCEP-FUHIMQAGSA-N 454.413 2.900 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722501042 NYDJTIMHMRSKBC-BIRZXAFVSA-N 475.634 2.519 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1722524034 IAFSGXQKVYZBRM-SFHVURJKSA-N 483.635 2.566 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722592206 SJFKYJIWMMKAOP-UHFFFAOYSA-N 460.586 2.687 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1722711717 HSEUXDKAAGUZQP-MJGOQNOKSA-N 468.524 2.718 30 10 JFEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 1726630964 AOKDWEGXWSWWSG-RBUKOAKNSA-N 458.632 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2285200152 PBBQLNSEKOYISW-DLBZAZTESA-N 463.359 2.767 30 10 JFEE COc1ccc(OC)c(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCC(N)=O)c1 2327540885 NCOQFTBVTKHTOT-UHFFFAOYSA-N 461.931 2.987 30 10 JFEE NC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1cc(Br)ccc1O 2329727388 SRAODADBNMFWCY-UHFFFAOYSA-N 464.320 2.936 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1C 2362563523 DENBSMPSEUEMIN-BGYRXZFFSA-N 450.392 2.517 30 10 JFEE COc1ccc(NC(=O)CC[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365286723 OCZUTRLHMJQIAT-INIZCTEOSA-N 464.368 2.599 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2379899501 MXHGVHQPVHMBQH-YVEFUNNKSA-N 468.306 2.742 30 10 JFEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20831738 MWJDCVSMYJUBRP-HYARGMPZSA-N 485.595 2.766 30 10 JFEE C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(C)=O)CC1 35990987 AVAMGLCQMHESMF-NRFANRHFSA-N 460.962 2.574 30 10 JFEE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NS(=O)(=O)Cc1ccccc1 59147903 NMFPCDXVTMPVBJ-RGVLZGJSSA-N 458.456 2.759 30 10 JFEE COc1ccc(OC)c(/C=N/Nc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)c1 59310491 OZTMQNUPVCESSE-SSDVNMTOSA-N 469.527 2.957 30 10 JFEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2c(O)ccc4ccccc24)[C@H](C#N)C(=O)N3)CC1 72444605 CPACGXZLDKSEAR-FXAWDEMLSA-N 487.516 2.632 30 10 JFEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(O)cc1 170136221 YMULCHKESLOAMM-JOCHJYFZSA-N 451.523 2.751 30 10 JFEE NS(=O)(=O)c1ccc(NN=C2C(=O)N(c3ccccc3)N=C2CSc2ccccn2)cc1 254821751 GPVLYEHOPJAWEJ-UHFFFAOYSA-N 466.548 2.692 30 10 JFEE C=CCN(C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C)[C@H]1CCS(=O)(=O)C1 512065725 AGYBQAVFBPRXAB-INIZCTEOSA-N 456.490 2.647 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 520943956 PUWIPOUPYCJHQJ-OAQYLSRUSA-N 467.547 2.664 30 10 JFEE C=CCN(CC(F)(F)F)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 521184847 XFQRMTNGWPSZIZ-UHFFFAOYSA-N 481.924 2.530 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1 611791915 HFFOLYJRUZASPS-UHFFFAOYSA-N 485.382 2.761 30 10 JFEE CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n(C)c1 857838719 GWPICWQKAHREQW-CYBMUJFWSA-N 478.596 2.661 30 10 JFEE COc1ccc(N(CCC(=O)N2CCOC[C@H]2C#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1126072313 BTXCYINQVYVVAO-HXUWFJFHSA-N 457.552 2.648 30 10 JFEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 1169450794 CQWLFIDITPNZQN-IFMALSPDSA-N 450.539 2.983 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n(-c2ccccc2)c1C 1170183017 CJNVIKURULMBKQ-IBGZPJMESA-N 457.600 2.508 30 10 JFEE C#CCN(C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1224031938 CERRADQUQPPTGZ-XLIONFOSSA-N 457.552 2.562 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2Cc2cnn3ccccc23)c1 1286309613 STQQKFMPYVKFCY-UHFFFAOYSA-N 498.591 2.949 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286383033 KXSJBFFXYNAIJM-HFTRVMKXSA-N 463.401 2.990 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286389657 OFASXRCEJPZCCU-FGZHOGPDSA-N 484.670 2.930 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286398714 NAMSETLMNQTCQW-SRHPJPHMSA-N 478.659 2.639 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCC1 1286428661 FCUYINZZAUOCEV-NRFANRHFSA-N 454.619 2.951 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286484195 FVAHIUSRFGHPQP-HXUWFJFHSA-N 493.612 2.739 30 10 JFEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286508329 KDRLDRPZFSZJAY-HXUWFJFHSA-N 488.621 2.643 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286525936 MVIFFSXXZMIWLC-HOYKHHGWSA-N 454.575 2.789 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286604563 MTYXMMJGNJZNSS-UNMCSNQZSA-N 489.642 2.793 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286646730 VLYPOTPLGWJBOK-RBUKOAKNSA-N 495.646 2.568 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C2CC2)CC1 1288724648 CCTZVIWCJKLZIH-QGZVFWFLSA-N 456.616 2.560 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1288942352 AFGVVKWHMNCCJH-MGPUTAFESA-N 466.995 2.751 30 10 JFEE Cc1ccn2cc(Cn3c(-c4cccc(S(=O)(=O)N(C)C)c4)nnc3N(C)C[C@@H](C)C#N)nc2c1 1289446752 AULFLQMIWGTBCJ-SFHVURJKSA-N 492.609 2.796 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OC)CC1 1295016872 DZJAUNFERLRZEZ-UHFFFAOYSA-N 495.609 2.567 30 10 JFEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1299072949 FBKUKESRBRTCFK-MRXNPFEDSA-N 452.469 2.555 30 10 JFEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCCCC1 1299800691 FMPSZIKRMGNEIJ-OAQYLSRUSA-N 452.559 2.507 30 10 JFEE C#CCCCn1c(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 1300424028 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CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1313755743 AEVSRLGLNHDREK-UHFFFAOYSA-N 491.644 2.515 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCC(F)F)CC1 1315117611 DNVKXKVZLAHENH-UHFFFAOYSA-N 483.479 2.792 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2COCCO2)C1 1316526671 ATJDUNZZRZKCNN-ACJLOTCBSA-N 454.275 2.704 30 10 JFEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358966125 IFJZPDREFXMWKG-UXHICEINSA-N 492.617 2.766 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1358966884 YZCVEBYLPSCKJN-FQEVSTJZSA-N 465.579 2.544 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)NC(C)C 1358987517 JWKCGRBMIOOPCM-GOSISDBHSA-N 473.668 2.922 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCC[C@@H](C)C1 1359021189 FVWBNWICZGURBM-UXHICEINSA-N 453.587 2.923 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2OC(C)C)CC1 1359040295 OLPFPTKVQNTQRJ-GMAHTHKFSA-N 453.587 2.593 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2nc(C)no2)CC1 1359046991 NCNADOVYIOSVIO-UHFFFAOYSA-N 491.596 2.764 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC2CCOCC2)CC1 1359052301 ACWZLMFBTPROIH-UHFFFAOYSA-N 461.035 2.909 30 10 JFEE C=C(Cl)Cn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@@]1(OCC)CCOC1 1359157271 DYMULUZWTOWMAK-HXUWFJFHSA-N 453.012 2.770 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCC[C@H]2C)CC1 1359161601 KFZCGAKVPROFOH-LJQANCHMSA-N 458.632 2.836 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1359173994 UKSOBSMTKMYUCZ-RXVVDRJESA-N 460.648 2.902 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359186954 XXQJAKPEONKZPT-UHFFFAOYSA-N 451.535 2.911 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359277056 AUYUVAGKHLFQNU-ICSRJNTNSA-N 463.604 2.629 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359303489 QBTRGGCKQLTMRM-UHFFFAOYSA-N 478.622 2.698 30 10 JFEE 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2.669 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1358913149 GXYMLDDEWBITFC-IBGZPJMESA-N 457.579 2.723 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358968023 XTXMUJDBMWOEBI-WOJBJXKFSA-N 474.652 2.932 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)n1 1359027812 WXZMTAXKLITSOF-UHFFFAOYSA-N 483.580 2.698 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nc(C(F)(F)F)cs2)CC1 1359038322 ROGQQWYPKRCDLT-UHFFFAOYSA-N 495.556 2.548 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccnc2OC)CC1 1359039319 DLYYLXURLKGOTL-FQEVSTJZSA-N 481.601 2.557 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCN(CC)C2)CC1 1359040994 LHHDZBQOMAEIJH-PMACEKPBSA-N 482.604 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1359046561 WQICYYATSXPYBY-QGZVFWFLSA-N 463.611 2.798 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359058961 WCJCCEXUKQYCNQ-OYRHEFFESA-N 468.671 2.956 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359083864 SOCTWJGYPQOQLY-MSOLQXFVSA-N 465.396 2.799 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1359096546 DDFROAVSCIHWLV-LZNRXBQRSA-N 452.559 2.594 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1359131480 VMNSLCHXPFLZEE-UHFFFAOYSA-N 470.622 2.872 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc(-c3ccccc3)n2)CC1 1359174003 UTSDXXRESRTQEM-INIZCTEOSA-N 456.572 2.994 30 10 JFEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(=O)N(C)C)CC1 1359180796 TYOVCHOILCNGSD-UHFFFAOYSA-N 465.646 2.524 30 10 JFEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359221435 BMWHEZLXZVFHIL-IRXDYDNUSA-N 459.513 2.863 30 10 JFEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1359245842 GISLMVAOSDMDFB-HDICACEKSA-N 453.591 2.968 30 10 JFEE C=CCNC(=O)Cn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359306091 VRTGYNTXNUPINO-DEOSSOPVSA-N 457.575 2.803 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)c(C)c3c2)C1 1359313429 MBJHYSNWZVEFFR-PKOBYXMFSA-N 472.615 2.816 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1359467994 CCALYTFEAOZVBA-RXVVDRJESA-N 487.674 2.912 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 1435822697 GYPKWFZXTDADKN-QGZVFWFLSA-N 450.264 2.580 30 10 JFEE CC(=O)N1CCN(Cc2ccccc2NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1435926699 ZGGVYWGIZMSVMS-OAQYLSRUSA-N 457.575 2.876 30 10 JFEE CCOC(=O)CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1ccccc1 1459388142 GUJAEJHOQJRQCX-HSZRJFAPSA-N 452.530 2.600 30 10 JFEE C#CCN(C(=O)NC[C@@H]1CCCCS1(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1469523164 FHBCQXCOHYPBMQ-RDJZCZTQSA-N 455.374 2.885 30 10 JFEE C=C(C)[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 1477592446 QUEJXJWEHHJHNG-SFHVURJKSA-N 454.455 2.768 30 10 JFEE CC1CCN(C(=O)C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CC2)CC1 1493852904 FJOZRBHHQVTKCF-UHFFFAOYSA-N 498.653 2.726 30 10 JFEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOC(C)(C)C2)CCCO1 1494522645 GJBKTEWIDAIDFT-JOCHJYFZSA-N 495.672 2.865 30 10 JFEE CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1496657845 BDBONPUZFRFYBE-VCOUNFBDSA-N 481.649 2.525 30 10 JFEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1503452793 BTEKZPKALWVLKM-UHFFFAOYSA-N 457.478 2.552 30 10 JFEE CN(CCc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1503584080 HTAHFBHLVVIQBB-UHFFFAOYSA-N 456.597 2.777 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507635166 TYTCNXZBKVWZFZ-YLJYHZDGSA-N 479.597 2.684 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507638467 RBNLYUWJIBTJGD-QHAWAJNXSA-N 457.600 2.591 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507639937 NLABDYCQJFMBEH-WOJBJXKFSA-N 474.652 2.854 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1507671662 NSYXRQVWMBTYCL-XRSWDHFMSA-N 491.658 2.597 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSc2ccccc2)CC1 1507719269 MFFUEVXKHCSFGF-DEOSSOPVSA-N 455.628 2.866 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(O)(CCC)CCC)CC1 1507734950 FABAKIJQUGJMTF-UHFFFAOYSA-N 481.597 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1507736745 QZNVWUYCFUOMQL-LJQANCHMSA-N 495.628 2.809 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC(F)(F)C2)CC1 1507740341 MCHGNDMGALUNFS-MRXNPFEDSA-N 490.580 2.671 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507745043 RQGWZSIHNBZPJE-ROUUACIJSA-N 485.610 2.585 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1507756941 SBMPZFRCQZFRGJ-OAQYLSRUSA-N 452.584 2.555 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCN(C)C2)CC1 1507901948 AFGMXEKJIGQHOQ-CPJSRVTESA-N 474.650 2.862 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C)C1CC1 1507993755 TUVVXXOYWXLTCS-DLBZAZTESA-N 457.666 2.544 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1508011902 WZOAFBKOJQNENR-GOSISDBHSA-N 463.629 2.622 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1508048466 SCYJLPHMKSYDME-UHFFFAOYSA-N 472.640 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C1Cc2ccccc2C1 1508143965 LUBLIORKUZTOBP-UHFFFAOYSA-N 457.625 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508148424 HGKXOTFXEFYVMY-XDNAFOTISA-N 499.703 2.980 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1513166635 BVZCQLXEKANPTM-GOSISDBHSA-N 463.586 2.860 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H](C)C#N)CC1 1515936074 FNWQUXAQNOQTEV-DLBZAZTESA-N 477.455 2.905 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cccs2)cc1OC 1518129291 DOHWXSYUHNHHOR-JOCHJYFZSA-N 470.530 2.896 30 10 JFEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1518973779 DNIPUEQILWWDGN-YLJYHZDGSA-N 452.625 2.615 30 10 JFEE C#CC[C@@]1(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CCCN1C(=O)OC(C)(C)C 1527896938 MYSQWIGEFCJALM-CPJSRVTESA-N 454.571 2.868 30 10 JFEE C#Cc1ccc([C@H](OC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C(F)(F)F)cc1 1532558065 HEVYAKPSFSRZEN-IBGZPJMESA-N 453.438 2.990 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)c3ccccc3-n3ncc(Cl)c(Cl)c3=O)CC2)nc1 1534773250 CMYAHSROESBZKG-UHFFFAOYSA-N 455.305 2.768 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1539016461 UYPRQETUJORUKX-VLCRHTCISA-N 455.628 2.549 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2C[C@H](C)C[C@@H](C)C2)c1 1539039037 YFFJBPNLXNXFBH-NHCUHLMSSA-N 493.656 2.841 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1539125950 REESZMCFMCYMOJ-FPOVZHCZSA-N 483.617 2.802 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539210324 CRZIADJCSWJXSB-YPAWHYETSA-N 499.681 2.948 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1539212780 XXWIFJKJDPZWGI-SFTDATJTSA-N 487.626 2.733 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1539224306 FCTNCHGUONZBQO-FQEVSTJZSA-N 467.595 2.570 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539229231 ATRMTLAHJTUYRF-QFIPXVFZSA-N 499.681 2.914 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCS1(=O)=O 1539249774 CQKJXKUQTRGBMJ-INIZCTEOSA-N 479.375 2.887 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(N(C)C)nc1 1539400733 KVFNUWLCQUOOTQ-UHFFFAOYSA-N 456.554 2.931 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCCC)cc2)CC1 1539427385 DAEBYRMSLCTDLM-UHFFFAOYSA-N 459.554 2.518 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539616048 NMIHASKWUSKQLO-JQVVWYNYSA-N 466.586 2.795 30 10 JFEE 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451.317 2.879 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCC[C@@H]1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215692191 DNSSPJFQZIABGB-SZMVWBNQSA-N 489.426 2.528 30 10 JFEE COc1ccc(S(=O)(=O)NN=C(C)c2cccc(NC(=O)c3cc(C)on3)c2)cc1OC 254480186 HPGKGYGGMQUCFT-UHFFFAOYSA-N 458.496 2.955 30 10 JFEE COc1ccc(CCn2c(NN=C/C=C/c3ccc([N+](=O)[O-])o3)nc3c2c(=O)nc(O)n3C)cc1 254617695 UIVBPOYVRBAAJM-FKYWHEIZSA-N 479.453 2.699 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCSc2ccc(F)cc2)CC1 503632918 BNICXZKTBUYHEM-UHFFFAOYSA-N 462.572 2.896 30 10 JFEE CCOc1ccc(/C=C/C(=O)[C@H]2CNCC[C@H]2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 585841017 XUSIYYAWQIRQDE-KGETVQGISA-N 498.492 2.901 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)[C@H](C)C(=O)Nc3ccccc3OCC)cc21 586350225 OTJRECNTRKDXHA-KXSVPLAASA-N 470.547 2.955 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NCc3ccc(C#N)cc3F)c2c1 609229751 OUUMEFWITYUIJU-UHFFFAOYSA-N 456.499 2.912 30 10 JFEE Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1B1OC(C)(C)C(C)(C)O1 704310270 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451.637 2.525 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1286748552 ZCNXADJJLIGWRS-HXOBKFHXSA-N 487.651 2.976 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1 1286794193 YZOVJBIFOSLHCF-OSWQYVSFSA-N 469.586 2.802 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286820375 KJYXWFOFSAVNMU-UHFFFAOYSA-N 475.590 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286821513 NVZBHNIGQAHPES-QGZVFWFLSA-N 458.506 2.546 30 10 JFEE CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1297703529 AWSWKDMZAPXIBS-UHFFFAOYSA-N 497.625 2.801 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](F)COC)c1 1300334620 ROPKVQFIGVAMSF-LJQANCHMSA-N 475.528 2.557 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300449042 MCCUDUKYUAZIGN-SFHVURJKSA-N 462.558 2.532 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1300706453 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C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1359311296 WVGBBTBXOPZURX-UHFFFAOYSA-N 453.587 2.919 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](OC)C1 1359331750 HHHNKPJFHNAUHG-IBGZPJMESA-N 497.662 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1359331827 ITPGJHWHHOBNON-MRXNPFEDSA-N 465.570 2.918 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1359343161 NBIKUFIKNKTTDB-QGZVFWFLSA-N 465.620 2.565 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1360621894 BRXZLPAQCLWBLK-QHYAIYAISA-N 487.626 2.539 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)cc1 1444900372 BYVMRLUDMBXZDF-UHFFFAOYSA-N 458.584 2.554 30 10 JFEE C=CC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)C(=O)OCC 1466783439 NFQCITYBRCJHEL-QZTJIDSGSA-N 450.333 2.602 30 10 JFEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1472407107 QOPDQKPAFOLVEJ-QGZVFWFLSA-N 454.568 2.689 30 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C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507781597 DEWQZHWDTYOTCD-INIZCTEOSA-N 480.374 2.934 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1507903687 TYUORNCDXBEQPT-UTKZUKDTSA-N 493.605 2.620 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1508103048 DNNIMJWRFAUYIC-HXUWFJFHSA-N 470.599 2.646 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)N[C@@H](C)CC)C1 1508111166 DDLKOAWKKKZSAN-HKUYNNGSSA-N 455.559 2.802 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1508136995 JYDJSJKLWZLGED-UHFFFAOYSA-N 486.516 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1508145134 JGIBXAIWLFUFNM-MRXNPFEDSA-N 466.608 2.552 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1508167974 LVXREFPRWKWNJA-SJORKVTESA-N 478.619 2.910 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)CC1 1508173647 CPKDIXMXWLMBTE-DEOSSOPVSA-N 479.629 2.501 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453.572 2.790 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCNC(=O)C(C)C)c1 1740562783 QGAANJBHMXEBOZ-UHFFFAOYSA-N 459.554 2.559 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740618486 IMDDCDGYSIJCPJ-ROUUACIJSA-N 491.614 2.777 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740662598 NRWCJZBEURVGQO-UHFFFAOYSA-N 491.415 2.794 30 10 JFEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1740716407 XYKYIIYPVFREFH-IBGZPJMESA-N 493.637 2.707 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740723469 RZKNSKJJHJGEFS-QHCPKHFHSA-N 455.584 2.817 30 10 JFEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740748019 DUPDZIPAYIGRTP-UHFFFAOYSA-N 484.420 2.592 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1740773413 YZZLUSYOBXAGHA-LJQANCHMSA-N 465.602 2.563 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740781847 DGGWUCGQYIFTSI-UHFFFAOYSA-N 499.641 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2.716 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722589320 OYEDGUNBJKDOGP-GOSISDBHSA-N 470.622 2.831 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722614673 RRGZXXCGPJMWPW-SFHVURJKSA-N 463.586 2.899 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CCC)C1 1722624416 COSGRLIMENSNRZ-SFHVURJKSA-N 452.559 2.790 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C(C)C 1722667897 YHEZUVVHAAQWNT-NHCUHLMSSA-N 485.677 2.623 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1722702932 UCNPRFLRJWLLJY-LJQANCHMSA-N 490.568 2.921 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNC(=O)C(C)C)C1 1722715457 NVARFJFBHRGBDY-IBGZPJMESA-N 455.559 2.660 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CSCCS2)C1 1722720312 KBDXMXDYFCDFAM-HZPDHXFCSA-N 465.670 2.900 30 10 JFEE CC(=O)Nc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)cc1 1722804727 GDCVSRIBDFXPDU-QHCPKHFHSA-N 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CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282061446 LAOVCFSMCAOWQZ-UHFFFAOYSA-N 457.380 2.900 30 10 JFEE Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2282116874 JZEIPWRIPYVULF-CZUORRHYSA-N 454.298 2.823 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C1 2282179221 LEABTKRIHUZQOE-MRXNPFEDSA-N 461.412 2.947 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@]2(C)C1 2282192173 UBQQLZMEXZWASG-XDHUDOTRSA-N 457.380 2.710 30 10 JFEE Cc1cc(S(=O)(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282327656 LQNFQBNOJRJUCR-CHWSQXEVSA-N 496.382 2.576 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC(NS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2282340659 IMMZAWFLJHLSRF-UHFFFAOYSA-N 478.420 2.664 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282510916 GMHVCHDVNZHHBH-GOSISDBHSA-N 480.436 2.662 30 10 JFEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282518981 HPNYXHJGORJHJJ-UHFFFAOYSA-N 479.452 2.720 30 10 JFEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282544905 HFWJUWWOGUVNQA-IZZQQSIFSA-N 458.364 2.590 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282545297 IFYXEVOVBRCYRO-ZWKOTPCHSA-N 480.798 2.739 30 10 JFEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282573949 HWJKRIODHUFTMC-UHFFFAOYSA-N 480.798 2.741 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2282582876 BNJWIOWLVYROEQ-HOCLYGCPSA-N 460.384 2.522 30 10 JFEE C[C@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2282707290 WZHKBLYLBZSJEO-RDJZCZTQSA-N 460.384 2.541 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C2(CC2)C1 2282819094 GMFQGOQMESOAMM-GOSISDBHSA-N 458.364 2.821 30 10 JFEE C[C@@H](NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2282842926 FOTCHZZKPOSRFC-CQSZACIVSA-N 484.399 2.659 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2283942192 GCORENOACGEYME-INIZCTEOSA-N 480.436 2.950 30 10 JFEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@]1(C)COC[C@H]1NC(=O)OC(C)(C)C 2283968093 CBUXCDIVIPCKNT-UZUQRXQVSA-N 480.436 2.936 30 10 JFEE Cc1ccc(NC(=O)CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2283975961 WTECPSWPDJDFGF-KRWDZBQOSA-N 459.396 2.832 30 10 JFEE Cc1csc(CN(C)C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2283986543 RLRDEBHHRVVQAY-CVEARBPZSA-N 480.436 2.684 30 10 JFEE COc1cc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O 2296337066 WADWNCDMBXDLMV-QFIPXVFZSA-N 470.497 2.684 30 10 JFEE COc1ccc([C@@H]2C(=C(O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296926337 GXMFIJYAZCAJAL-HSZRJFAPSA-N 490.560 2.714 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)OCc3ccccc3)nc2)OC1(C)C 2312862491 RCMRRQUPHGXTNB-DZFGPLHGSA-N 463.343 2.520 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315696404 YAPFPZQPRYUXBM-KGLIPLIRSA-N 451.398 2.866 30 10 JFEE CCc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2325917456 UZWXXVXCUQHARJ-HXUWFJFHSA-N 462.579 2.816 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccn1 2327808858 ZBHHGFKMRAPZJX-INIZCTEOSA-N 457.604 2.630 30 10 JFEE COc1cc(OC)c(OC)cc1C=Nn1c(COc2ccccc2OC)nnc1SCCO 2328319982 XEBYPLVRCAGXRC-UHFFFAOYSA-N 474.539 2.858 30 10 JFEE C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2359385178 FYBSZPBAXNWJGB-CKEIUWERSA-N 481.424 2.549 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(F)(F)[C@](C)(NC(=O)OC(C)(C)C)C1 2361915722 JGILMBUWERBDGE-OAQYLSRUSA-N 469.338 2.699 30 10 JFEE COc1nc(OC[C@@H]2C[C@@H](OC)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365380660 TWEZGPARYCBTPX-JKSUJKDBSA-N 464.368 2.793 30 10 JFEE Cc1cc(CNC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678898 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](OC)C1 1286551275 HCGHINQPULSVNR-SJBKTWHCSA-N 489.642 2.792 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C 1286564746 XAPZWTVLFIFBTH-VSKRKVRLSA-N 466.630 2.905 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CCC1 1286567834 XVYMGDWZRLBJNJ-HKBQPEDESA-N 479.672 2.899 30 10 JFEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@](=O)C(C)(C)C)CC1 1286644905 NAFKHCWNZZLSOQ-YTTGMZPUSA-N 454.600 2.896 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)c2ccccc2C1 1286779877 NXZKNXIWVLIOJQ-UHFFFAOYSA-N 470.375 2.794 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286802016 MFLGMXDASSKKIQ-ZIAGYGMSSA-N 487.445 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnn(C)c1C 1286814517 BBGIGIBTRXMFOV-UHFFFAOYSA-N 493.431 2.987 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286826028 URTPPIISHZFVKX-SFHVURJKSA-N 451.394 2.814 30 10 JFEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1286832871 PNEPEBCMBOWJKB-KRWDZBQOSA-N 480.082 2.973 30 10 JFEE CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1296073760 HLIYHJFNUSGKDH-IBGZPJMESA-N 482.608 2.628 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1298285019 AEEGRMRRCLKKPV-HNNXBMFYSA-N 459.519 2.941 30 10 JFEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)C1)S(C)(=O)=O 1298545996 AQSSLZITVLVZJW-FQEVSTJZSA-N 479.610 2.562 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)CC1 1299434898 HWUQVRLAWMDIRR-UHFFFAOYSA-N 467.917 2.833 30 10 JFEE C#CCCCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300425629 WDCXDKVFONJYGY-OAQYLSRUSA-N 471.524 2.627 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccccc1 1300466023 SSYZVDKSCOYIQM-DVECYGJZSA-N 455.559 2.564 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300499747 WIJWRHVMJZOVMP-QFIPXVFZSA-N 467.570 2.581 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300504312 LPFLZYDRXVMTRN-ZHALLVOQSA-N 477.656 2.523 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)CN1CCN(CC)CC1 1300522996 SZAIMASRQONXGP-JOCHJYFZSA-N 455.610 2.840 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1300545612 TVSFYGARSNDYGY-JOCHJYFZSA-N 457.626 2.697 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCCC1(C)C 1300657900 TZDQZQSKEZDIFJ-XMMPIXPASA-N 488.658 2.574 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCc2scnc2C)CC1 1300729073 MHIYKQHVJGWGGE-UHFFFAOYSA-N 478.622 2.873 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1300870508 SXVPMFOQLINBAM-FVJLSDCUSA-N 485.585 2.654 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCOC(C)(C)C2)CC1 1301086649 MHGSMCYNMALOSH-FQEVSTJZSA-N 490.649 2.854 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C(C)=O)CC1 1301410207 AGOSOZLQILIWNA-UHFFFAOYSA-N 463.586 2.641 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1301529672 LBZGQRZXRHTTCB-TZIWHRDSSA-N 475.615 2.508 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@](C)(OC)C1 1301575129 BPNVBHXKBUJSCT-HSZRJFAPSA-N 470.599 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1301596178 JTBQXGPLJUKWSZ-SJORKVTESA-N 466.608 2.689 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)COC)c1 1302391458 WXWTXRBAZSAASG-OAQYLSRUSA-N 452.960 2.849 30 10 JFEE CO[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)C(C)C 1315225378 APYRQHVPTQTGAJ-OAQYLSRUSA-N 486.020 2.923 30 10 JFEE COc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2CC2(O)CCS(=O)(=O)CC2)c1 1315555966 FZNDIMFTDQFPKI-UHFFFAOYSA-N 475.615 2.660 30 10 JFEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1315977661 ATQJURBBMNVROT-YWMUFLPLSA-N 483.491 2.672 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccnc2)c(F)c1 1358871317 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453.593 2.879 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1507672908 METLDXGGVCSSJV-QFIPXVFZSA-N 469.549 2.592 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1507679298 TVDLNELAEJERQP-FQEVSTJZSA-N 467.496 2.699 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1N1CCOCC1 1507704923 MBPJREUFKVZSHT-UHFFFAOYSA-N 466.973 2.964 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(CN(C)C)c2)CC1 1507718942 XDGBXMXUQBJBSS-UHFFFAOYSA-N 482.430 2.901 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2ncc(C)s2)CC1 1507727488 PUHLYIHQFRPYBV-MRXNPFEDSA-N 469.640 2.593 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CCC[C@@H](C)C2)CC1 1507731258 DSDKSKXAJLDOQE-DHIUTWEWSA-N 499.704 2.880 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507732330 LCANKAOEGJGQSP-QHCPKHFHSA-N 454.594 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCOC[C@@H]2C)CC1 1507741449 SXSWJSDRBCQCBP-PZJWPPBQSA-N 481.597 2.504 30 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456.351 2.958 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1539042521 HHVUPWCQOSTEKG-ZJSXRUAMSA-N 493.656 2.602 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539215567 FPOOQGQAPZGKRY-SFHVURJKSA-N 470.624 2.537 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539230353 MHIOUEBMZRIMNH-LEWJYISDSA-N 472.611 2.527 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539231190 SVWZURWQAJOBCG-OALUTQOASA-N 478.565 2.962 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1539290456 IDAOERPZOAOJNL-NRFANRHFSA-N 459.529 2.830 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(S(C)(=O)=O)CCC1 1539295862 HNQPMLNNEKXONC-SFHVURJKSA-N 458.559 2.987 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1539370432 CDHLXEIFRYAJDC-KRWDZBQOSA-N 463.970 2.596 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(c3ccc(F)cc3F)CC2)CC1 1539489859 PROODUREUFSTBK-UHFFFAOYSA-N 457.525 2.790 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539491491 RUFNXFMHAAJCRM-QHCPKHFHSA-N 495.697 2.730 30 10 JFEE C=C(C)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733514 BZPGZPFXIRWOMK-VNTMZGSJSA-N 460.623 2.782 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)cc1 1540139220 AHSACIDLFOKUEW-UHFFFAOYSA-N 450.568 2.915 30 10 JFEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540854741 BAIGDBJCRYOSED-UHFFFAOYSA-N 460.529 2.867 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCCC2)C1 1540863712 CIRDLXDQTHRFJA-UHFFFAOYSA-N 463.380 2.877 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1540873204 QUSJLTCCWFXUKP-FQEVSTJZSA-N 484.507 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1540897694 PQECNMORGPUZBM-XLIONFOSSA-N 475.615 2.613 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1540902902 TZWNMVJWLOKUCN-CYBMUJFWSA-N 479.550 2.885 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1540902912 UFJBZDYOYAKBEX-FCHUYYIVSA-N 479.691 2.865 30 10 JFEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ccncn1)CC2 1548379234 KCXSKRWGDWDMRE-IBGZPJMESA-N 486.498 2.814 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2ncccc2N(C)C)c1 1587693193 QTPXEKGGRUGEAT-UHFFFAOYSA-N 480.576 2.829 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@@](C)(CC)O2)c1 1587697827 YRKIGGRYJXVCCI-HFZDXXHNSA-N 478.597 2.804 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN(C)C(=O)OC(C)(C)C 1587926687 DLRAMQXPHZWVCB-UHFFFAOYSA-N 459.547 2.907 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1588054229 MCSZNHRKBOWMEL-RPWUZVMVSA-N 499.681 2.689 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCN(CC)CC1 1588189460 KGLUWJXJTBTBCQ-UHFFFAOYSA-N 472.435 2.526 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCc1nc(C)no1 1588646738 MDHRTZXPKIVQSQ-UHFFFAOYSA-N 487.605 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1588899065 LEHDILFDUHPFHV-QFIPXVFZSA-N 471.565 2.678 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCN(CC)CC2)CC1 1588908885 YGUDJSSEVGRZDF-UHFFFAOYSA-N 498.075 2.592 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1589097487 QIRZCSRRHLRJBN-INIZCTEOSA-N 457.629 2.871 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589578636 HWLZCDUIELXDFV-ILSIFQBBSA-N 475.634 2.652 30 10 JFEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594760805 QQZZEKHYKQXJRN-UHFFFAOYSA-N 468.602 2.613 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1595555874 JYZYDFBPIYYTMI-UHFFFAOYSA-N 476.581 2.652 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1595838084 KGXDANUEWHHIPF-UHFFFAOYSA-N 462.645 2.796 30 10 JFEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595844506 CHAJKRRGAZHCSV-YLJYHZDGSA-N 468.583 2.615 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1611285761 ABMXROZXYVCSHR-KNTRGWTASA-N 451.556 2.591 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 1625542585 NMBXMNROSQFJGT-YJYMSZOUSA-N 451.321 2.998 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(N)=O)c1 1628390151 KTGBEIAPIALOJE-UHFFFAOYSA-N 456.351 2.980 30 10 JFEE C=CC[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1634302817 UNEQHPNFLPAZMB-UYPAYLBCSA-N 450.535 2.814 30 10 JFEE C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O 1635210578 ZJHMVOQGOMMPFB-HXUWFJFHSA-N 450.495 2.751 30 10 JFEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cnc3c(Br)csc3c2)c1 1653698078 ORSRKDGIYXGBOC-UHFFFAOYSA-N 450.339 2.957 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1CCC 1689834896 BIOMTECGHQTOGP-FPOVZHCZSA-N 472.659 2.918 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)c3cc(C)oc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1689906573 OGCTYCIWJRCFCV-RUZDIDTESA-N 469.586 2.906 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1689912786 AQWCDICOKNOJOF-UXHICEINSA-N 464.680 2.783 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1689961203 ORRCVARBMGEIIL-PMACEKPBSA-N 477.613 2.634 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1689985838 CKVQZNXJNKPHTL-INIZCTEOSA-N 475.496 2.627 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689987756 BSMOQYFLRHPZLN-QGZVFWFLSA-N 455.609 2.947 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689993136 WKDJNEBNRPDSMU-XZOQPEGZSA-N 469.655 2.940 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc2ccccc12 1690032519 CYFWNRIQSLIMJF-QGZVFWFLSA-N 455.609 2.809 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(NC(N)=O)cc1 1690060541 AJIVMUFLHXVWGD-UHFFFAOYSA-N 480.598 2.545 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C2CC(C(C)(C)C)C2)n1 1690109239 LKEHASYZKFKKHZ-UUKMXZOPSA-N 453.591 2.709 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)c2nccs2)CC1 1690133640 OIUWOYMUSVUEEW-GOSISDBHSA-N 452.584 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC(C)CC2)CC1 1690139109 AGZPLEWLRPDIDG-UHFFFAOYSA-N 459.598 2.514 30 10 JFEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690308268 HSVQBZBPKWHWCE-UHFFFAOYSA-N 452.481 2.828 30 10 JFEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690319340 JMLNYCIWIUGQKX-UHFFFAOYSA-N 484.601 2.796 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1690319887 BYBRCUQOKYTPOA-KRWDZBQOSA-N 450.584 2.515 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690338577 BVXRFEZQYUMTDS-HNNXBMFYSA-N 479.766 2.933 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCNC(=O)OC(C)(C)C)CC1 1690411784 UTVGNXRREBSFAF-GOSISDBHSA-N 467.636 2.888 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1690578171 RMXFZQOWSXSDET-IBGZPJMESA-N 458.609 2.975 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1690583256 DZPJAVZIZHRGGO-FQEVSTJZSA-N 454.575 2.667 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690632649 IMNVVLHHLHVIQW-QGZVFWFLSA-N 469.405 2.924 30 10 JFEE C/C(=C\c1ccccc1)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1690755164 MQSQAKQLFMCIQD-VWFOHHCHSA-N 472.553 2.745 30 10 JFEE CC[C@@H](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1693964962 DRDXKPTYACTXAO-GCJKJVERSA-N 477.617 2.565 30 10 JFEE COc1ccc(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)[C@@H](C)CC#N)CCC2)cc1 1697332763 BZVGXTCLXLJZNT-DLBZAZTESA-N 460.604 2.757 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2N(C)CCCC2(C)C)c1 1705504648 CIQWGIBCLDINSL-JOCHJYFZSA-N 472.597 2.912 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705525897 YNTPCRDXKNIBRO-UHFFFAOYSA-N 499.417 2.975 30 10 JFEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705561020 MUEKVLNMBGKYJW-IEBWSBKVSA-N 467.595 2.711 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCn1cc(Br)cn1 1705583198 SCDAPVXAJAJFCL-IBGZPJMESA-N 467.327 2.523 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCCCC1=O 1705624660 KFRWXOVLYBHUDQ-UHFFFAOYSA-N 467.570 2.595 30 10 JFEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705682649 HJMXHGCLOHHOPY-DYVFJYSZSA-N 459.352 2.691 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1705720774 QQAXQVANDFMFBG-CALCHBBNSA-N 455.625 2.886 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705799872 IKYTUZFUESJDMC-IRXDYDNUSA-N 470.640 2.690 30 10 JFEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705832147 OFQWCYBTVQGMOJ-UHFFFAOYSA-N 498.628 2.641 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C1CCCCC1 1705841684 BTGPALMZIRBUEK-UHFFFAOYSA-N 452.607 2.865 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1cnc(C)s1 1705900523 GUKBICISOXADBM-UHFFFAOYSA-N 492.609 2.939 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2Cl)C1 1705925000 IYSOYDQBHHXLBK-WMZOPIPTSA-N 468.982 2.997 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)N2CCCCC2)c1 1722308887 HNCWTVQSJYCAKJ-UGKGYDQZSA-N 477.613 2.550 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2ncc(C)s2)c1 1722309172 KCIQOPCVOYRYDT-BEFAXECRSA-N 477.594 2.854 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722358200 DVIAIYYTJCHPGP-SFHVURJKSA-N 470.574 2.575 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722359999 QXJLLBDGGLMUQL-OAQYLSRUSA-N 485.654 2.738 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1722360781 BZYVIWMXTCQQBG-IBGZPJMESA-N 451.577 2.862 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722368477 SFHPPLRPEBXHJV-IAGOWNOFSA-N 496.992 2.670 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(SC)CCN(C)CC1 1722391593 PUAGPTVGGGWFMQ-DEOSSOPVSA-N 459.660 2.609 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1722403623 YGTJVRNEGJUOMB-GNKBHMEESA-N 490.652 2.676 30 10 JFEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1722482335 AJYFMJHSNNNLBE-CQSZACIVSA-N 459.348 2.809 30 10 JFEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722515391 MGSSABOLQDQOOM-QFIPXVFZSA-N 452.603 2.704 30 10 JFEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCNS(C)(=O)=O)CC1 1722568990 IVRXOLOMLTWPRS-UHFFFAOYSA-N 468.023 2.957 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1722689659 VWEJFOPKPZPOIQ-QGZVFWFLSA-N 487.406 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722693327 KFHZWIUQKDLTJV-SFHVURJKSA-N 490.992 2.631 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(F)(F)F)C1 1722719564 VZVKYDZTNXXPRM-GJZGRUSLSA-N 461.485 2.930 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C1CCC1 1722750115 KKARRDNUGCZUSY-HXUWFJFHSA-N 478.640 2.718 30 10 JFEE COc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1730264208 BFINIECIWMOUQA-UHFFFAOYSA-N 475.615 2.660 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1740565309 REOPOTHENHMZNU-LJQANCHMSA-N 451.575 2.778 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1740599975 GTABDBICVJUCOK-DFBJGRDBSA-N 453.587 2.965 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC[C@H](C(F)F)N1CCOCC1 1740651935 PCKWAKFDPCPDEY-HXUWFJFHSA-N 457.525 2.773 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1740695170 HLXJQENKINEIIY-UHFFFAOYSA-N 453.591 2.707 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](c2cccs2)N(C)C)CC1 1740696915 KTGFBDRKTOBBGY-OAQYLSRUSA-N 464.639 2.997 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)CC(F)(F)F)CC1 1740699021 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C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749175555 IMMYQJABSCYLAS-UHFFFAOYSA-N 478.553 2.904 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1749252687 VCGWSDCPVRHYKE-KRWDZBQOSA-N 453.012 2.584 30 10 JFEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1749264771 CZYPWUASORYUMB-MRXNPFEDSA-N 480.038 2.876 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1749330941 SHEGMOAISKBTHO-VWLOTQADSA-N 461.651 2.956 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749364255 OFTGFRUHZHSAOD-QGZVFWFLSA-N 455.563 2.527 30 10 JFEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1749386376 DGRRKJKLFIWRMN-MOPGFXCFSA-N 452.621 2.906 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1749429920 FZXDEOZGQZTFSH-LJQANCHMSA-N 462.595 2.658 30 10 JFEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749629762 CCKOQSHRNFXZGJ-QGZVFWFLSA-N 451.449 2.872 30 10 JFEE 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C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1760548254 BSFGKYJZHOTQAA-ROUUACIJSA-N 465.595 2.688 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1760555424 FQYMEVGLBGTMPD-HXUWFJFHSA-N 481.569 2.725 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760560772 DYMKZINMBJOHNK-UHFFFAOYSA-N 491.683 2.963 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760569252 IPUCNRGSBLBGIW-UHFFFAOYSA-N 469.663 2.505 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCS1 1763089132 GAVFMLGPBWIHCP-GHTZIAJQSA-N 467.643 2.701 30 10 JFEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1764266048 CWGNGYLLNPSEIC-HXUWFJFHSA-N 458.570 2.527 30 10 JFEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCCN(C)C(C)C)CCOC1 1767472575 GPXYWCXJLKAWHD-SANMLTNESA-N 499.635 2.998 30 10 JFEE COC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1767960912 CIYDQBOTDIDXNJ-QHCPKHFHSA-N 451.531 2.871 30 10 JFEE 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BMJWYGUCTUZRAX-XMMPIXPASA-N 498.605 2.825 30 10 JFEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286535240 GVQDSVIBWXYSJS-MRXNPFEDSA-N 495.397 2.676 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1286629089 JJHWZLPZOFSCLB-FQEVSTJZSA-N 495.049 2.600 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(COCCOC)cc2)CC1 1286664577 YTJXADNZSRBGSP-JOCHJYFZSA-N 474.627 2.794 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1286669032 WGKKIVRZLACSIF-QGZVFWFLSA-N 479.423 2.990 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1286690338 HSZNAMMPALDLBP-UHFFFAOYSA-N 451.618 2.639 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1(O)CCCCC1 1288802810 CVFILYYQJTWIGC-GOSISDBHSA-N 484.626 2.749 30 10 JFEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)OC 1291909497 FQQJNINUDUQBNJ-LJQANCHMSA-N 479.629 2.811 30 10 JFEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCC1 1298042163 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LZBICAGRHAWJBR-IBGZPJMESA-N 469.558 2.534 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1300937034 UHJVFUJMXSLLSE-HNNXBMFYSA-N 457.522 2.998 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1301041987 OZHJGHHYAYVHFN-IRXDYDNUSA-N 486.063 2.504 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1301150910 DHFGPKCWUINIFB-SJLPKXTDSA-N 495.671 2.627 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(O)CCS(=O)(=O)CC1 1301415361 RRMKKPFFEWQVKM-QGZVFWFLSA-N 494.683 2.710 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301444541 LJTKNFAZESIRNA-UHFFFAOYSA-N 463.311 2.553 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1301578299 WMHNQZJLVKNTSD-SFHVURJKSA-N 497.650 2.757 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1301589444 SBGRSLQYLLOJFM-MBSDFSHPSA-N 497.662 2.814 30 10 JFEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(CC(F)(F)F)CC2)n(C)n1 1304727637 BYHBXPAUTKNPLO-UHFFFAOYSA-N 458.492 2.981 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CCN1C(=O)OC(C)(C)C 1305153412 CHFNIHPSNFPRMS-SFHVURJKSA-N 477.573 2.944 30 10 JFEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1358964071 SOVCLOGTOZRIJP-HXUWFJFHSA-N 485.658 2.515 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965552 XESXYWDWPGWJAF-KCZVDYSFSA-N 456.612 2.619 30 10 JFEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1358966405 ONCFPGFYSYINNH-QGZVFWFLSA-N 479.400 2.822 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)N1CCOCC1 1358972603 LAWMCLVUJONDDE-UHFFFAOYSA-N 456.388 2.891 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)N1CCOCC1 1358987094 RTRWFMBMUVUMJN-UHFFFAOYSA-N 470.577 2.674 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(CC(C)C)c1C 1359007086 UQVFMZBYSIGINB-UHFFFAOYSA-N 468.631 2.907 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOC2CCCCCC2)CC1 1359044967 SRIZJCVTHZPYBT-OAQYLSRUSA-N 457.619 2.877 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1359082327 FUOIUYBETOQEGD-CVEARBPZSA-N 468.302 2.994 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1F 1359090543 COJUALPKCVLOAK-POAQFYNOSA-N 465.595 2.688 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359102438 BFDORBSBEMLHNM-SMISUXHESA-N 484.597 2.815 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359104306 ZYERWQVONLCVJJ-GGAORHGYSA-N 484.649 2.705 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1359151256 QBAXYQXEZVELGO-SFHVURJKSA-N 498.993 2.687 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1359152430 WUGYRYNSKRCFLI-GOSISDBHSA-N 495.024 2.834 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2cccc(C)c2)CC1 1359165403 ODWQQNSMNUWPAJ-PZJWPPBQSA-N 459.616 2.880 30 10 JFEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOCC)CC1 1359286691 KWYADJAOZIXTMI-UHFFFAOYSA-N 465.558 2.539 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359293996 HKQYHKJMWLFZQL-INIZCTEOSA-N 468.436 2.703 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(Cc2cscn2)CC1 1359302050 VQZGGIWYRJKXFU-UHFFFAOYSA-N 472.018 2.603 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359311328 XXUYPJBTYLAQLX-HYBUGGRVSA-N 453.543 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1359332956 KZPAKUGZQXBRJB-UHFFFAOYSA-N 465.664 2.743 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1=O 1360031388 GBQUGOZBQBIRPL-VWLOTQADSA-N 478.553 2.534 30 10 JFEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 1435517116 ABMCEUYZKCDPOG-NRFANRHFSA-N 458.444 2.686 30 10 JFEE C=CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)CCCCC1 1440437890 ZEILNBJGZCILPE-UHFFFAOYSA-N 451.545 2.963 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@]2(CO)CCOC2)c1 1447509768 SEROEWKAUIYGIY-NRFANRHFSA-N 450.944 2.603 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)c1 1450397501 HUNQJVCHYIIFBG-UHFFFAOYSA-N 451.504 2.930 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)OCC)c1 1463502640 TWFINYABFPIHKS-DEOSSOPVSA-N 456.564 2.932 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NCCNc3nccc(C(F)(F)F)n3)ccc2c1=O 1465282637 XEGUUPPTKCRLIJ-UHFFFAOYSA-N 450.446 2.522 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1F 1472011662 SNMLOOGAMLUMJJ-GOEBONIOSA-N 455.552 2.713 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1498472905 CFYJNMMHLQZHQY-UHFFFAOYSA-N 481.626 2.995 30 10 JFEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1503011516 HLAIDDRNAOGBTG-HSZRJFAPSA-N 456.616 2.531 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)C1 1503731984 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30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC(C)(C)C1 1286278474 DGXRENSAZNNUST-QGZVFWFLSA-N 457.575 2.540 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286351151 BEVBOTAGIORKHY-RTBURBONSA-N 490.605 2.715 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1-n1ccnc1 1286377091 RTMIQZKUYBBYHU-NRFANRHFSA-N 477.569 2.890 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC2(C1)OCCO2 1286435765 IPBXMMJIJAONLG-SFHVURJKSA-N 457.962 2.864 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1286447821 NNHYSBKVPWNAQW-SFHVURJKSA-N 469.542 2.823 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286553352 PSZUAQKWWLEKAO-SIKLNZKXSA-N 489.642 2.843 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1286584571 HIFIYVDTNUIQJN-UHFFFAOYSA-N 452.588 2.843 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286654367 HNSKQBZGOKKJFQ-HXUWFJFHSA-N 481.416 2.660 30 10 JFEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286714708 UDRVXLNLCQILNC-UHFFFAOYSA-N 498.628 2.641 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCc3cccc(C#N)c3)CC2)cc1 1288042604 NSYWOPVACGGKNR-UHFFFAOYSA-N 453.564 2.863 30 10 JFEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c1=O 1295942044 HBTJVROSPDHLOU-UHFFFAOYSA-N 473.581 2.741 30 10 JFEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)CC1 1299108770 GZEGMVAHELHCPC-UHFFFAOYSA-N 465.945 2.907 30 10 JFEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1299785089 BOKGPHPZSIGOGR-OALUTQOASA-N 468.602 2.842 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1300488309 QOIKSYFFTDQPNA-IBGZPJMESA-N 467.595 2.656 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300488394 RIDOVLSCYKMTSE-INIZCTEOSA-N 491.976 2.782 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300489818 SYLJLWPPPWBPDQ-FXAWDEMLSA-N 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CCC[C@H](C)C2)CC1 1690150293 BUGXPFRTGRYKLR-IBGZPJMESA-N 454.644 2.628 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1690190264 PWOOMOJAKDOCJD-JXHRLWIKSA-N 462.664 2.678 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690632827 SEZASVOMWGZSEH-OAHLLOKOSA-N 489.418 2.691 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCOC[C@H]2OC)C1 1690692366 WVWCJVAYLFCTTB-WOIUINJBSA-N 458.559 2.795 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CCC1 1696646508 AUYCEHMHKBUALT-IBGZPJMESA-N 464.492 2.981 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1696927897 ANSMNCURCROCSW-QFIPXVFZSA-N 452.469 2.555 30 10 JFEE COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1697443480 HSBVZOGMUVAYPI-MRXNPFEDSA-N 473.331 2.830 30 10 JFEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1698028238 DYCABGNUMRNHNV-OAQYLSRUSA-N 481.645 2.774 30 10 JFEE 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2.501 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705909460 XOQXENVYECDKAK-PMACEKPBSA-N 498.632 2.999 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1705916040 IAENQJWJCUCUCU-PXNSSMCTSA-N 459.978 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705936600 UTFFMKFLHXLTNF-FPOVZHCZSA-N 487.626 2.610 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1706021005 CMSWIPHSMIYBPD-AZUAARDMSA-N 475.519 2.806 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1706828768 HSMUPSMHBAHCQW-ROUUACIJSA-N 497.600 2.556 30 10 JFEE Cc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)sc1C 1706993312 FBLUJJNOFXBYHP-GOSISDBHSA-N 485.639 2.704 30 10 JFEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 1711236864 IACXSSJMFIPCDO-UHFFFAOYSA-N 465.988 2.973 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cn(C2COC2)nn1 1722280664 GHLHIUFIWVAOGY-LBPRGKRZSA-N 460.311 2.516 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCCC2)c1 1722307069 ISRLWIQBVLDNII-QHCPKHFHSA-N 491.640 2.577 30 10 JFEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722332135 DMBWYXUZEULMLX-GHTZIAJQSA-N 483.569 2.934 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722360092 RXTWBXWEJRSMSU-HOCLYGCPSA-N 470.567 2.925 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722370656 DGPCUYCJBWPOLB-FYYLOGMGSA-N 499.681 2.833 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722425423 YBKWJJDDKNYQAK-LJQANCHMSA-N 469.590 2.554 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)C2CCCCC2)CC1 1722432922 JERGZLFXOXBBMK-UHFFFAOYSA-N 488.434 2.582 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1722448789 YQQCHEGBSXFWKZ-BZSNNMDCSA-N 480.535 2.564 30 10 JFEE 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30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1588865257 RCVYVAFKKOQJEI-FYYLOGMGSA-N 453.635 2.736 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1589133945 CLCXUSWVYWQFAN-YADHBBJMSA-N 461.488 2.956 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1589150815 LSNZUMRPSDUXJA-ZUOKHONESA-N 496.424 2.883 30 10 JFEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1589366961 NYTOKQKQZZXHRI-LSDHHAIUSA-N 451.369 2.549 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1589558517 LINCZFWFLYSVFK-UGKGYDQZSA-N 452.603 2.940 30 10 JFEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1593730158 SRSNGOFCFZJIRE-QGZVFWFLSA-N 456.572 2.778 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1595100285 PLYPLFCBIAPWNZ-QFIPXVFZSA-N 479.610 2.840 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1595477738 YPPBTFNDKJHALV-QGZVFWFLSA-N 474.993 2.678 30 10 JFEE C=CCOc1ccc(Cn2c(C3CCCC3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1595613714 HBJQWJRYPBGBAZ-UHFFFAOYSA-N 452.603 2.807 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1595797965 KEJHPQLDLUFYRU-HNNXBMFYSA-N 492.627 2.510 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC1CCOCC1 1595812400 RXTXDQSBJKIDIE-UHFFFAOYSA-N 457.600 2.814 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1595901224 QYDIKWCSSUHSES-UHFFFAOYSA-N 472.663 2.787 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CCO1 1611003265 IBOVKFRQMLIZAF-QFIPXVFZSA-N 455.559 2.786 30 10 JFEE CC(F)(F)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1611644112 DRADLVRZHRAYLB-FQEVSTJZSA-N 492.596 2.809 30 10 JFEE C=CCOc1ccccc1CN1C[C@@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccc(F)cc1 1614305205 AQIYOWNYUQBDSJ-VXKWHMMOSA-N 450.518 2.552 30 10 JFEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1615451740 CVGWBOMTAPQYGS-GOSISDBHSA-N 450.591 2.541 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1617917016 FEGBUUSGCSJAQK-BBWFWOEESA-N 452.477 2.673 30 10 JFEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1625927693 HCSMAJYBMDHZKB-IBGZPJMESA-N 451.589 2.871 30 10 JFEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1B1OC(C)(C)C(C)(C)O1 1630720002 PJQMSNKLDOXQJY-GOSISDBHSA-N 455.364 2.879 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)Nc3cn4cc(Br)ncc4n3)ccc2c1=O 1633527256 JLCUNERYAQWXBG-UHFFFAOYSA-N 457.313 2.929 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1636306189 NYKRCLKOYYVKMP-UHFFFAOYSA-N 456.499 2.567 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(c3cccc(F)c3F)CC2)s1 1636980961 VBQDPSQEFXQPGU-UHFFFAOYSA-N 455.552 2.772 30 10 JFEE N#Cc1ccc2nc(NC(=O)c3sccc3S(=O)(=O)N3CCCC[C@@H]3CCO)[nH]c2c1 1642732659 FRIWOFIOAFMHBO-CQSZACIVSA-N 459.553 2.674 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 1649388894 NZCIACTVIFIYGO-VFNWGFHPSA-N 450.923 2.911 30 10 JFEE C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1CC(=O)OC)c1ccc(Br)cc1 1663555746 ZYMILHXJNUXZPJ-KRWDZBQOSA-N 452.326 2.826 30 10 JFEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2 1683536005 DZXDBDHLYPAVQS-KRWDZBQOSA-N 450.543 2.510 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1689996874 QAISFONYFZPYAL-ICSRJNTNSA-N 478.615 2.909 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nc(C)c(C)s1 1690013392 NAEVDKWCLVOWDG-UHFFFAOYSA-N 457.563 2.869 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(N(C)C)CCSC1 1690035785 JPOMPYBLFDOFMA-RUZDIDTESA-N 483.638 2.871 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC(=O)N(CC)CC)CC1 1690135503 YORONRPIFVMTJL-IFMALSPDSA-N 458.651 2.601 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCC(F)F)CC1 1690139505 PQHUDELKTFCNET-UHFFFAOYSA-N 486.567 2.590 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690251738 YPOFNHJDYLOXEV-DAVFGYKESA-N 454.619 2.791 30 10 JFEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1690272721 LXOXULQALSDUSB-UHFFFAOYSA-N 460.941 2.845 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(=O)OC)CC1 1690526939 GOJDHXYEBXMEFH-GOSISDBHSA-N 478.594 2.687 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690663082 LQSXHMUZYCUADX-LRDNONRASA-N 496.431 2.844 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1690678022 ILRQUHGQPNNWTR-HGHGUNKESA-N 455.607 2.746 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690718035 ZAQGLHKSTBDLLE-UHFFFAOYSA-N 493.033 2.537 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705516969 MCKRZKOMYLEPAW-QZTJIDSGSA-N 461.563 2.566 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(C)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705565620 IYBXIGHCJJXNDQ-IEBWSBKVSA-N 464.538 2.569 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1705566150 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CSHOKXLFMWUKSP-KRWDZBQOSA-N 456.515 2.621 30 10 JFEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705942906 IGXGQEDGMXLLEK-UHFFFAOYSA-N 454.560 2.833 30 10 JFEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705947421 KRJQRTKXCYNSKQ-UHFFFAOYSA-N 468.671 2.841 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)C1CCCC1 1706074795 FAZFEWJCWGNKNV-IBGZPJMESA-N 451.623 2.922 30 10 JFEE Cc1nc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CC2)oc1C 1706989262 IDKMXNWJEZSRIV-UHFFFAOYSA-N 476.585 2.659 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)OC 1708364956 HGMFKSGWEFHAOJ-VLCRHTCISA-N 466.586 2.705 30 10 JFEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1710143942 CNGXWKRWLMABJV-UHFFFAOYSA-N 480.661 2.731 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccccc1OCC 1710734523 GFAMYRCIQJSUSS-IBGZPJMESA-N 476.585 2.833 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1722294734 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2.996 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1740838174 IGCHRPUAESAIOV-SFHVURJKSA-N 465.645 2.923 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1740954716 RDBRQDZEXAIFLB-UHFFFAOYSA-N 466.517 2.687 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C1 1740985418 HMXHCPKJZVDAIC-QELHCHSZSA-N 460.550 2.830 30 10 JFEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2sccc2Br)CC1=O 1748062536 CFVLYSHJUWNUNY-UHFFFAOYSA-N 487.383 2.879 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1748753657 QSVAIMGRAHHDOS-QGZVFWFLSA-N 463.554 2.565 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748810586 XXDDUDCGKHDZNW-UXHICEINSA-N 488.610 2.548 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811847 MLSXUQVFSDAZLC-LJQANCHMSA-N 457.600 2.564 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748815342 PEDBNFOKAVFJFC-QGZVFWFLSA-N 468.501 2.772 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1748901016 PAWVEBWMYJLIPE-UXHICEINSA-N 468.602 2.509 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(Br)c1 1748948094 HLYPXBZRLZVMLJ-UHFFFAOYSA-N 499.369 2.831 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCOCC1(C)C 1748965491 SFWAUAXBDPXSGI-UHFFFAOYSA-N 450.587 2.547 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCCN2CCOCC2)CC1 1749114844 HZHIKUNJBJQDAH-PKTZIBPZSA-N 488.677 2.726 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1749126244 ABHHHESZJGGMPN-KNKQGSTJSA-N 453.591 2.849 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749376882 IFVKCCOVUARSNN-KDURUIRLSA-N 490.649 2.946 30 10 JFEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSC[C@H]1C 1749454147 CLRIUMWPDZENQI-MRXNPFEDSA-N 450.634 2.773 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749617822 RLYUXPQFUIRQAA-MRXNPFEDSA-N 477.338 2.799 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CN3CCOCC3)C2)cc1 1749683341 QDMDNKJPWJAJJP-QFIPXVFZSA-N 482.629 2.578 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1750792534 ABAXKAJYPCAKMH-KRWDZBQOSA-N 460.604 2.861 30 10 JFEE CC(C)Oc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 1751030164 FJWZDMYKMNVBIT-NRFANRHFSA-N 496.593 2.583 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCC(C)CC1 1760101736 AMOMSDOLWSGJDL-FQEVSTJZSA-N 472.659 2.775 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760162253 PIDVDUQAINRHML-NRFANRHFSA-N 467.618 2.983 30 10 JFEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760180381 CZBYZSQUNYODGF-NZQKXSOJSA-N 464.632 2.527 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760185872 GBQSYIDFAVJTPE-MSOLQXFVSA-N 479.597 2.504 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C(=O)NCC)c1 1760196555 UQBUSITXXQYPQB-UHFFFAOYSA-N 479.382 2.917 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1760216625 VEYMHSLGYOHZEU-UHFFFAOYSA-N 471.565 2.848 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCC(C)CC2)CC1 1760267691 WQWKXYDPVBUPGX-UHFFFAOYSA-N 494.640 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1760269183 BAEAKYYKSQTDAQ-UHFFFAOYSA-N 478.641 2.890 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCn2cncn2)CC1 1760271015 IIAMVHJQDWDSNL-UHFFFAOYSA-N 490.612 2.546 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCC2(OC)CCC2)CC1 1760271668 GCKMXBBPSNTPQA-UHFFFAOYSA-N 465.598 2.803 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760323131 AXFWWDZFVPHYTD-JTAQYXEDSA-N 452.603 2.988 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1760488324 RPPNANDSJHXTQJ-DHIUTWEWSA-N 474.613 2.729 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(F)(F)F)CC1 1760517198 GFLFXAVYTMMVBR-UHFFFAOYSA-N 485.532 2.820 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760518418 UNGBKVVZFQZRBA-UHFFFAOYSA-N 490.008 2.539 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3o2)C1 1760534797 GKPDKHZVZSINRG-QFBILLFUSA-N 459.572 2.659 30 10 JFEE CCN(CC)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1764877648 AUDAVBNGHJFYJK-FQEVSTJZSA-N 483.592 2.768 30 10 JFEE COc1ccncc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1769002817 CRKDVBWMVJZMCU-UHFFFAOYSA-N 466.567 2.931 30 10 JFEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCC[C@H]2C)cc(OC)c1OC 1769816821 GKLFMUIAXUMUPX-WAIKUNEKSA-N 458.538 2.897 30 10 JFEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1770691055 ARAWWVBNXZPOGP-MOPGFXCFSA-N 470.549 2.598 30 10 JFEE Cc1cccc(N2CCN(C(=O)[C@@H]3CCN(S(=O)(=O)c4ccccc4C#N)C3)CC2)c1C 1858422314 QXVQCRVLUUZFHK-OAQYLSRUSA-N 452.580 2.535 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cn2)CC1 1858452985 NVGCJOMZJMJNKG-UHFFFAOYSA-N 465.510 2.856 30 10 JFEE 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461.301 2.525 30 10 JFEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870532427 WJHHMNDNAXURIX-UHFFFAOYSA-N 478.634 2.998 30 10 JFEE C=CCOc1ccc(-c2no[nH]c2=NC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2)cc1 1873439403 ZZSRRNUGZICDBE-GOSISDBHSA-N 476.489 2.892 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(NCCNC(C)=O)ncnc21 1873634146 RJQBKYCUICXKOU-UHFFFAOYSA-N 451.487 2.888 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(N(C)C)cc1 1874335105 GUESVXDRKXPJNB-CPUXBYDOSA-N 485.658 2.911 30 10 JFEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)cc1 1874337807 KNINPRRPKIEHSG-KZKMUKRCSA-N 458.588 2.512 30 10 JFEE CCOc1ccc(CCc2nnc(S)n2/N=C/c2ccccc2S(=O)(=O)O)cc1OC 1874569083 GKFLLBZGPUVWEB-FYJGNVAPSA-N 462.553 2.888 30 10 JFEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCC#CCOc1cccc(N(CC)CC)c1 1890438365 IFMIBWKOKNRHTP-FQEVSTJZSA-N 454.596 2.887 30 10 JFEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1891544213 SERXFIBJBBGIFE-IBGZPJMESA-N 462.955 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1286794375 FBLQQMCXOBPKPL-JENIJYKNSA-N 463.604 2.505 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286797552 ZCSVEYYXVLVGEW-UHFFFAOYSA-N 483.617 2.660 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 1286815011 YWAYMQAPDKBBLW-MSOLQXFVSA-N 478.640 2.795 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1286818649 LUESQSSIJRGYBZ-UHFFFAOYSA-N 486.642 2.560 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286822136 HMQQLOHUZOPHAT-SFHVURJKSA-N 450.630 2.663 30 10 JFEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 1291104922 BURVAUZNZMLLHU-WOIUINJBSA-N 470.643 2.951 30 10 JFEE C#CCOc1ccccc1NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1296581123 QIVVQCPUHCNOOV-UHFFFAOYSA-N 452.536 2.720 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300482681 GYRUYECCTRPZBN-VQTJNVASSA-N 458.584 2.540 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300491934 JQGDMNPAAVYZDX-ICSRJNTNSA-N 491.658 2.819 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1300503532 DDOACSASFDJUIS-GOSISDBHSA-N 470.551 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(OC)CCOC2)CC1 1300712400 RGKADBNEGFWXAA-JIPXPUAJSA-N 495.624 2.806 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300897176 OUFQMWPOEUIQLE-OTNCWRBYSA-N 475.634 2.652 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1300952005 DDSAVMGSMZKIJS-RTBURBONSA-N 499.996 2.558 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1300972450 KIIZZGNEEQYONI-IBGZPJMESA-N 469.590 2.568 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301239083 KWCPNWQAPZBBRX-UHFFFAOYSA-N 490.543 2.855 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1301402852 IUVNSDDGNUGETQ-PZJWPPBQSA-N 457.600 2.519 30 10 JFEE COCCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301423168 DLBSRJOZYUVSES-GOSISDBHSA-N 461.574 2.780 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1301506426 LALYCDHJJREBET-LJQANCHMSA-N 482.604 2.785 30 10 JFEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1302393226 GGGSVFWMKOYMPW-UHFFFAOYSA-N 467.643 2.560 30 10 JFEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC(C)C)C2)c(=O)n1C 1304351057 DOGZCPIPZIYWBK-JOCHJYFZSA-N 462.554 2.502 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)c1 1309184598 QXEBHLLPPRWMKZ-IBGZPJMESA-N 457.596 2.781 30 10 JFEE C#CCN(C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCS(=O)(=O)C1 1312520949 LLAKYGZZAWGEJP-MOPGFXCFSA-N 453.402 2.992 30 10 JFEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)cn1 1313841444 BRTFBCFOECIBHV-UNMCSNQZSA-N 465.558 2.633 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1315425725 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C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1359302899 XJMHJXBUGRVGCI-QGZVFWFLSA-N 474.491 2.623 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359309414 QUYFXGOPXBUXQZ-LJQANCHMSA-N 496.593 2.552 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(C(N)=O)c2)C1 1359325881 OPAAKXLYHIETIY-QHAWAJNXSA-N 496.612 2.977 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1359329711 RSFCYLZLQJTYST-UHFFFAOYSA-N 487.651 2.938 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359339490 HNSQDBHSFPSWCT-UHFFFAOYSA-N 493.655 2.843 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359342183 QYCSMDKVSKVISU-MSOLQXFVSA-N 499.703 2.935 30 10 JFEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359345628 LKSOKLHFXGDKSH-NRFANRHFSA-N 466.604 2.930 30 10 JFEE C#CCN(CC(=O)NCCCNC(=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C 1464749372 RWOGMVCAIXKYRF-UHFFFAOYSA-N 452.349 2.556 30 10 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C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1587861427 LUGDFIZCCVSSSS-NHCUHLMSSA-N 499.616 2.794 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1588034747 LHHXFJLFUWZRLK-VGSWGCGISA-N 482.553 2.724 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588044745 BTXSHHNUANQWGC-GOSISDBHSA-N 468.558 2.608 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1588064093 AAUDEQPRTVYTRE-JOCHJYFZSA-N 481.647 2.802 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(C(C)=O)CC1 1588173757 JJNYZIFILZRPSU-UHFFFAOYSA-N 460.582 2.869 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588384786 BCWIYDZDFOAIFH-LJQANCHMSA-N 469.542 2.544 30 10 JFEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(F)(F)Br)CC1 1588865619 YFUBEILFIROMOF-UHFFFAOYSA-N 454.319 2.908 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)CC1 1588885418 WNYBRYQOSYJYOW-UHFFFAOYSA-N 469.586 2.616 30 10 JFEE 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30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1595239178 GEKZSRAYKHMZQW-GBXCKJPGSA-N 454.644 2.902 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1595517210 SWVQRYWFVUHDJR-UHFFFAOYSA-N 455.559 2.662 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1595594674 NYUYWKXXFJNUAE-IBGZPJMESA-N 467.549 2.953 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595772966 KUTIJQLOZCLQFT-INIZCTEOSA-N 483.997 2.691 30 10 JFEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](CC)C1 1595871221 JYAHTDBXVQDKNR-INIZCTEOSA-N 450.634 2.773 30 10 JFEE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1611230788 HGHIRIRDJDTKAU-GOSISDBHSA-N 457.328 2.705 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nnc(C)s2)cc1Br 1619210686 GKECJNXDVNLYNW-ZDUSSCGKSA-N 476.360 2.653 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCN2CCCC2)cc1 1620351553 AZKWPODZSWZCFY-UHFFFAOYSA-N 464.492 2.718 30 10 JFEE C=CCn1ncc2ccc(NC(=O)N(C)CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 1627746853 SGMYYLIQDHPASB-UHFFFAOYSA-N 458.500 2.573 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)s1 1629999801 JHTWDVCVQNQEEJ-UHFFFAOYSA-N 458.609 2.916 30 10 JFEE CS(=O)(=O)N1CCc2c(NC(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cccc21 1660560543 HRQUWGXHCWVCIX-UHFFFAOYSA-N 455.540 2.787 30 10 JFEE C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)OCC 1665796914 GWGQXIHLBNCTLR-WOJBJXKFSA-N 452.573 2.995 30 10 JFEE C=CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1679223486 ULNISVNJOTYSMX-UHFFFAOYSA-N 455.580 2.956 30 10 JFEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C2)nc1 1684485721 CBMQZPZPNLWPNO-MSOLQXFVSA-N 459.428 2.940 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(Cl)c(OC)c2)CC1 1690113826 VZRCDMQRTXYPEZ-DEOSSOPVSA-N 474.005 2.590 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCCC2)CC1 1690152605 RBNYBCLQFTVWLR-UHFFFAOYSA-N 465.598 2.745 30 10 JFEE 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BDHGMCHOZLKSJO-GOSISDBHSA-N 484.486 2.663 30 10 JFEE CCCN(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1695302935 FVMYDFNBAOGTJD-JOCHJYFZSA-N 489.624 2.952 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1705551504 NYKYCOIVWBWTKC-MOPGFXCFSA-N 460.623 2.776 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705569190 DLIIMJLUOMCKDZ-BHDDXSALSA-N 456.612 2.505 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](OC)c1ccc(F)cc1 1705585695 XXJSXZVXXKCBQN-LJQANCHMSA-N 451.527 2.869 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCOC1=O 1705620719 DNQHUMDRQZIALC-UHFFFAOYSA-N 465.533 2.761 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705648452 XBRUUUCIJHWFNU-PXNSSMCTSA-N 470.618 2.767 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ncc(CC)s2)CC1 1705648715 XBUQBFVKLOVKCJ-IBGZPJMESA-N 456.616 2.747 30 10 JFEE C#CCSCCn1c(N2CC[C@@](O)(c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1705665071 JHNOBBKIPJKAPS-GOTSBHOMSA-N 460.575 2.534 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1705681349 STXCKLVBHNVZTE-NUEKZKHPSA-N 472.384 2.739 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705704116 QITAKVBKJAXPFG-RXVVDRJESA-N 477.606 2.831 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705725401 XXYFQKUDFFTLIL-UXHICEINSA-N 488.633 2.796 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1705737292 NUCWIYGKKLZRRG-FPOVZHCZSA-N 493.630 2.701 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1705782160 PYHQAUWRFSXFHC-DENIHFKCSA-N 489.642 2.789 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)C1)C(C)C 1705867639 RPYUESIDJFXBSX-OAQYLSRUSA-N 480.613 2.693 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705906167 VSTLXYMNWBKIFK-KRWDZBQOSA-N 456.547 2.815 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1705909537 ZUOYLMRYSZNUTH-DENIHFKCSA-N 468.602 2.882 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1705910371 AEDKKBWGXIOQSA-UHFFFAOYSA-N 475.553 2.643 30 10 JFEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CCC1 1712334700 DDFZQODCLBLDGT-UHFFFAOYSA-N 486.642 2.884 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1712486187 FTGZZONJLJGACW-LJQANCHMSA-N 483.617 2.746 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722364654 IVCDPWNZHZEBGU-HNNXBMFYSA-N 461.535 2.603 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1C1OCCO1)[C@@H]1CCS(=O)(=O)C1 1722368475 SDGVQURCPHNRNQ-LJQANCHMSA-N 472.611 2.587 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722370631 PJNOWYSVSCMYAU-HXUWFJFHSA-N 490.601 2.972 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1722386757 JUQHELYTBXESGS-RUZDIDTESA-N 471.609 2.594 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCOCc2ccc(OC)cc2)CC1 1722446194 QRCSHVTVYHRXGW-UHFFFAOYSA-N 488.592 2.840 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)c1nc(C)cs1 1722446584 DXTAGGQDYMIYSV-INIZCTEOSA-N 477.594 2.847 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722459916 UFMMLYRMYZITPU-FQEVSTJZSA-N 455.584 2.554 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SCC)C1 1722491095 HNRRUPZTKUQWAR-RDGPPVDQSA-N 471.693 2.982 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1722523233 JBFWMRVWCFJCEE-VQTJNVASSA-N 461.588 2.537 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722598342 DOJXRPCZXVOHBW-KRWDZBQOSA-N 465.562 2.856 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1722599121 UIMWPQCSMPDDHE-UHFFFAOYSA-N 452.563 2.666 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1722632569 YUMGWTOLDDNWKH-ZZEZOPTASA-N 487.358 2.865 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722666028 RCLKZRZSTJTZHQ-OAHLLOKOSA-N 483.436 2.506 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1722694049 KEMIQPJSOLWSHC-GHTZIAJQSA-N 463.586 2.640 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722700358 GJSURWQEFGQWSL-UHFFFAOYSA-N 468.631 2.666 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CCCC)C1 1722719158 REXRLKNUQIWASO-PCCBWWKXSA-N 465.664 2.616 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1722727236 JRBJKXBSWBWTOC-MSOLQXFVSA-N 484.626 2.901 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722729900 AFCNNKFOLHYWEC-MRXNPFEDSA-N 499.609 2.742 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722743120 QVZYFDIJRDHDAE-UHFFFAOYSA-N 478.688 2.997 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1723069826 AEOYPUOMCKSEAN-RBBKRZOGSA-N 479.629 2.526 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1724255153 AIFWTYQLZBDWHH-RPWUZVMVSA-N 456.566 2.798 30 10 JFEE CN(C)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1729327243 FESGRGSCBZQXDL-NRFANRHFSA-N 459.595 2.976 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1740624252 HCBGECMFUBCPKP-GOTSBHOMSA-N 495.653 2.601 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740628091 NEMFTBMHWLPRSU-AWEZNQCLSA-N 474.530 2.768 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)Br 1740677914 VAVLBQQTFJMEAF-AWEZNQCLSA-N 470.368 2.576 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)NC)CC1 1740768354 VVHDWTMERTXMKA-CVDCTZTESA-N 484.601 2.698 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1740782324 MRUFTWBYJINQOZ-RDTXWAMCSA-N 455.531 2.663 30 10 JFEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740859080 FZOHUWICMIURCN-UHFFFAOYSA-N 450.503 2.796 30 10 JFEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740862004 HNCRJLITXGCWAI-INIZCTEOSA-N 456.572 2.964 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1740941613 OVMOBKVHTVPAHG-PZJWPPBQSA-N 490.649 2.710 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1740963393 JQDHSOXVISUACC-IRLDBZIGSA-N 468.650 2.533 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1740994365 QLJAFBFDTQDFGD-HZPDHXFCSA-N 499.431 2.834 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740995807 XYPYXVYWNVGPLC-UHFFFAOYSA-N 477.034 2.951 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1748731471 DOMVVSRICIUGOP-SFHVURJKSA-N 477.544 2.791 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1748784179 DPVZCFIARBXOCC-UHFFFAOYSA-N 461.570 2.612 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1748808807 NZXMQQSKMZWAHA-NRFANRHFSA-N 469.611 2.896 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748809926 QYBSVUKERNPSBW-QZTJIDSGSA-N 463.991 2.579 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748821758 VCDOPXXZYVFZLO-IFMALSPDSA-N 461.676 2.902 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1748824101 IVSYFEVEJIJSKO-VNXMGFANSA-N 490.670 2.805 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1ccco1)N(C)C 1748920231 FXHCUDAPXXYFFI-GOSISDBHSA-N 455.588 2.594 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCCS1 1748950955 RGBXHJVIWUTUSF-QFIPXVFZSA-N 477.656 2.567 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](OC)C(F)(F)F 1748960249 FKXHREJLWACSGK-INIZCTEOSA-N 464.448 2.647 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccc2OC(F)F)CC1 1748994390 FDLFMAZEGNCKOX-UHFFFAOYSA-N 469.540 2.739 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCC[C@H]2C)CC1 1748994719 OOOSDUYXOFKTRB-HSZRJFAPSA-N 450.631 2.919 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)cc2F)CC1 1749003263 DCDSWCZHVILOCN-SANMLTNESA-N 483.588 2.780 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749023247 QLRBLEZHTDJHDQ-UUOWRZLLSA-N 469.611 2.900 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1749066196 HTRZTHYDDFJGME-NFBKMPQASA-N 489.667 2.786 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H](O)C1 1749561110 FWEANRVXQJLGOW-UYAOXDASSA-N 459.616 2.925 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccnc1C 1749572878 FIYAKUFTURNPGQ-UHFFFAOYSA-N 452.588 2.758 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1749663350 BIDCRMGLCBPQPI-FPOVZHCZSA-N 460.586 2.527 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N1CCOCC1 1749824585 ICMWPEFPVCTSQK-OAHLLOKOSA-N 483.436 2.856 30 10 JFEE CC(F)(F)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1751179872 ALWGENIKOLTSIO-UHFFFAOYSA-N 471.556 2.997 30 10 JFEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1760135532 YWQOQWFFTZICTE-LJQANCHMSA-N 464.570 2.626 30 10 JFEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CS(C)(=O)=O)CC1 1760165987 MODZOLAJUZUGHU-UHFFFAOYSA-N 455.353 2.741 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1760181382 UHJFQZTZJSLJKY-GOSISDBHSA-N 470.624 2.715 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)C(C)(C)C)CC1 1760259162 ZJFGCKMSRUJNIQ-UHFFFAOYSA-N 494.459 2.676 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCc2nccs2)CC1 1760271301 SYKPBWIJPWYWQL-UHFFFAOYSA-N 464.595 2.565 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760350250 ASZZQDRMSLUVSP-INIZCTEOSA-N 486.436 2.652 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1760353800 FTVYHWBLIQEURC-UHFFFAOYSA-N 458.925 2.987 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760359153 CWGPVKDMRMPGDK-LEWJYISDSA-N 450.543 2.569 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2cc(C)oc2C)C1 1760547467 LKUXWHJUKXVDKU-RSKVWTTASA-N 460.575 2.901 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1760559765 KPARVQKKJFLPRB-YJBOKZPZSA-N 469.608 2.525 30 10 JFEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1764071575 FUQZFPGLXSJNRF-UHFFFAOYSA-N 492.672 2.683 30 10 JFEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)CC1 1764886701 GDXGPWFKUFLRRK-UHFFFAOYSA-N 459.545 2.852 30 10 JFEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1768997500 HTUPWPOZUIFGKJ-PMACEKPBSA-N 486.642 2.809 30 10 JFEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N(CC(=O)OCC)Cc2ccccc2)n1 1858762858 IXPKKYFZNMKUFR-UHFFFAOYSA-N 453.495 2.735 30 10 JFEE C[C@@H]1CCCCN1C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858987782 MCADJPYTLVYYRX-QGZVFWFLSA-N 454.552 2.803 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)c(C(=O)OCC)c1C 1860748539 FNSCJYVJLQDFNI-UHFFFAOYSA-N 460.464 2.882 30 10 JFEE N#Cc1ccccc1NC(=O)CCc1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1O 1860872697 UYPOQPMZRLLQES-YRNVUSSQSA-N 459.422 2.580 30 10 JFEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@H]2c2ccc(C(=O)O)cc2)c1 1862704365 YBSLJXSIZYPABN-QFIPXVFZSA-N 478.501 2.984 30 10 JFEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1870150060 XLBUMDDXDKZTLT-LJQANCHMSA-N 457.538 2.972 30 10 JFEE CCN(CC)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C)CC1 1870349304 ICNDJRWZKFGHEB-UHFFFAOYSA-N 451.615 2.778 30 10 JFEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870537862 SKNCVVISMDJOBC-UHFFFAOYSA-N 492.576 2.653 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2Cl)cn1CCOCCO 1870716280 RQEZYBKNCFLFHR-UHFFFAOYSA-N 475.973 2.702 30 10 JFEE C=CCN(CC=C)c1nc(=NCCCN(CC)CC)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712796 VAXOOJAZVYWRHD-UHFFFAOYSA-N 453.591 2.552 30 10 JFEE C=CCNC(=O)c1cc2c(N3CCN(C/C=C/c4ccccc4)CC3)ncnc2n1CCOC 1873589890 VFQAJWWKADCXAQ-JXMROGBWSA-N 460.582 2.829 30 10 JFEE 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COC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 916948077 DACPMBHYSKAQDY-HXUWFJFHSA-N 469.519 2.609 30 10 JFEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)C1=Cc2ccccc2OC1 916948399 GBJGSAQLHSZDKJ-OAQYLSRUSA-N 465.531 2.985 30 10 JFEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 1083957063 OCJDLJCKEPVEFT-UHFFFAOYSA-N 457.472 2.907 30 10 JFEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccccc3SC)n2N)c1 1084247977 HKSBUWBIPAXGSV-UHFFFAOYSA-N 459.557 2.605 30 10 JFEE C#CCN(C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21)[C@@H]1CCS(=O)(=O)C1 1125953611 IVYCCIBRADKJRT-CQSZACIVSA-N 456.490 2.531 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)c1 1141897150 ZOKYSFPFSRFERP-UHFFFAOYSA-N 453.842 2.832 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)s1 1180719364 HGMPUBMVEGBADW-BTYIYWSLSA-N 469.629 2.661 30 10 JFEE C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1216094595 DKAVQCXFPYOYJA-WMZOPIPTSA-N 458.540 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469.655 2.564 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286395948 SZFWXCUWJKYMKG-FCHUYYIVSA-N 477.675 2.803 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286401741 RAGMGANPCXMZMW-OAQYLSRUSA-N 497.441 2.723 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCC(F)(F)F 1286409739 SVVYOIKQWBXZPS-UHFFFAOYSA-N 460.485 2.560 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1occc1C 1286458765 BLXFYEQSRJLNST-UHFFFAOYSA-N 456.572 2.582 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCN2CC)CC1 1286475114 QXXDMDSSNYBYNL-HXUWFJFHSA-N 457.420 2.947 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCCN2CCC[C@@H]2CO)CC1 1286487255 FAOBBAWWMZOVTF-HSZRJFAPSA-N 499.059 2.801 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1286487671 OYWYMAPCIBINBI-PGRDOPGGSA-N 453.587 2.981 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(C)c(OC)c2)CC1 1286491371 OWXMHFLKCSJNTG-UHFFFAOYSA-N 472.593 2.789 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1cc[nH]n1 1286517006 BKTHHXJJHCBMCP-LJQANCHMSA-N 474.388 2.914 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CCN1CCOCC1 1286556202 BNJROKWBSFFFNY-XUZZJYLKSA-N 455.603 2.627 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1286581488 JQICMMUJBUJCTO-HXUWFJFHSA-N 469.615 2.828 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccn2)CC1 1286602215 VNQMGZXCMCQJPN-UHFFFAOYSA-N 476.585 2.857 30 10 JFEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286622109 CVMHJGOZROZXFM-FOIQADDNSA-N 473.965 2.595 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1286740480 NWNGURKOPITELH-LJQANCHMSA-N 475.615 2.644 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccccc2)CC1 1286779335 GPTHFAOZZQTAPS-UHFFFAOYSA-N 484.402 2.675 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCn2nc(C)nc2C1 1286818642 YTVBWVVEYKZRIV-HNNXBMFYSA-N 492.005 2.592 30 10 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467.595 2.935 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 1300499594 VLZHSUPYGGEPOZ-OAQYLSRUSA-N 481.647 2.855 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS(=O)(=O)C1 1300648783 JCVPAOMDFSSZJC-OAQYLSRUSA-N 484.601 2.743 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCN1CC 1300671917 RLCLQSQSVDAJST-LEWJYISDSA-N 490.649 2.547 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCOCCS(C)(=O)=O 1300817148 BRUQGVBSYSUVOH-JOCHJYFZSA-N 462.641 2.932 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1300927581 QDRDGUKDLDHUAP-UHFFFAOYSA-N 466.567 2.944 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300991392 SAZJFHRPDWOXGX-KRWDZBQOSA-N 460.529 2.780 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1301189640 YSVZZPVLHCUOHM-OAQYLSRUSA-N 459.616 2.838 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CC1 1301334421 LVHNGSBXRYJDIR-YTTGMZPUSA-N 457.600 2.626 30 10 JFEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(C)(C)O)c1 1301422657 RWQMZVNQINJVCS-UHFFFAOYSA-N 453.543 2.920 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1301507127 XLSWQFOKMYPLBW-XMMPIXPASA-N 464.545 2.655 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1301520571 IUNZCJORGIDUBQ-CVDCTZTESA-N 485.560 2.543 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOCC2(C)C)C1 1301545841 MIMMSAWDLIZHRL-FQEVSTJZSA-N 471.602 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301576736 ATTSNBFSDBLJOI-UHFFFAOYSA-N 485.635 2.960 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)N(C)C 1304058528 HFFRDHXYBHTUBZ-KSFYIVLOSA-N 458.636 2.627 30 10 JFEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(CC(F)(F)F)CC2)cnn1C 1304103721 AVDICAKIEHTWHK-UHFFFAOYSA-N 458.492 2.981 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCS1 1305204889 DJZCUBSVOYGIFC-AZUAARDMSA-N 456.616 2.517 30 10 JFEE C=CCN(C(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC)C1CC1 1357799637 TXKCJGHUZIFAMD-AUUYWEPGSA-N 456.008 2.912 30 10 JFEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1358917910 FSXGEIBGNGOHFQ-WOJBJXKFSA-N 465.664 2.860 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1358957263 RVJSXGCSCBYOAK-KNQAVFIVSA-N 466.611 2.847 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358959719 OKPIGXAUYYAQSD-PXNSSMCTSA-N 460.600 2.642 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1358964316 XHHYSKHSSLZNGJ-CTNGQTDRSA-N 455.628 2.555 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358965450 VKWBMLOJBHMPJK-FCHUYYIVSA-N 473.618 2.509 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1csc(C)n1 1358968655 UGEXNVAIOWLYPG-UHFFFAOYSA-N 452.971 2.942 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCCO2)CC1 1359041016 LNJWBHNUXXSZPB-AUSIDOKSSA-N 481.597 2.962 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1359047158 TZDAIZHFMUCCJT-OAQYLSRUSA-N 478.641 2.922 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1359060990 NIYFYIJFXSIFPL-UHFFFAOYSA-N 470.574 2.981 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1359194127 PTSHBPGGLRFKQV-FQEVSTJZSA-N 459.554 2.987 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359296149 YNZUMFMOPKKIEQ-SPLOXXLWSA-N 494.365 2.533 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CCc2ccccc2)CC1 1359303691 XMXKCBYIHJPSKV-UHFFFAOYSA-N 450.612 2.597 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@H]1C 1359308966 DNUADCVZEMEGSQ-GVDBMIGSSA-N 465.645 2.832 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(F)F)CC1 1359329439 JBUYVIHOZNEKIN-UHFFFAOYSA-N 489.976 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCCCCC2)C1 1359334635 MPMNRNYCVKNLDZ-UHFFFAOYSA-N 476.647 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1359336169 HHAURAAWSOMHHM-PKOBYXMFSA-N 497.662 2.860 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 1359342841 GGCVRSLFGWJMOL-HKUYNNGSSA-N 471.693 2.935 30 10 JFEE CC(C)NC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1360301758 HAVZZYQGUHXNOL-QHCPKHFHSA-N 468.537 2.534 30 10 JFEE C#Cc1ccc(NC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c(Cl)c1 1467402548 AJOOZOJLZWSXNF-HXUWFJFHSA-N 454.962 2.708 30 10 JFEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl 1468479018 IFOFWCOAQXKYJG-LBPRGKRZSA-N 457.733 2.627 30 10 JFEE Cc1c(Br)cc(C#N)c(=O)n1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 1473014700 CEEVQESGPKEAFB-UHFFFAOYSA-N 452.309 2.982 30 10 JFEE C#Cc1cccc(CNS(=O)(=O)c2ccc(I)c(C(=O)OC)c2)c1 1475390196 MLLGVBHFUGDXDL-UHFFFAOYSA-N 455.273 2.538 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 1478169430 SZPUAJWNVQAXGL-OAHLLOKOSA-N 457.884 2.504 30 10 JFEE 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10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1589483237 NQVZXEYGVMWSJW-FUHWJXTLSA-N 479.507 2.591 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1594567096 LUQVNVFXBQRHSX-UHFFFAOYSA-N 474.573 2.522 30 10 JFEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1594793851 UAGFVWLDDFFZQA-SFHVURJKSA-N 453.547 2.837 30 10 JFEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1594812951 MUYHYHRUFHYCMX-PMACEKPBSA-N 454.575 2.933 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1595161958 RAVIHFNCWBUASV-JOCHJYFZSA-N 476.599 2.812 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1595562230 QVTTXCOBNZZTQI-FQEVSTJZSA-N 484.507 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595798846 UOOBAFAXBONSGM-ROUUACIJSA-N 483.635 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1595799305 YPJGLYKLTSTFOA-UHFFFAOYSA-N 451.543 2.751 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CC1(S(C)(=O)=O)CC1 1596798193 FWPDFJPGJLYOQP-NSHDSACASA-N 458.407 2.942 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1 1606654678 XWMVIJUVJOXSEL-UHFFFAOYSA-N 455.923 2.714 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CC[C@H](F)C1 1608562277 BFAGWNCXMFSSOB-SJORKVTESA-N 457.529 2.892 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1611624818 AAYZPHFJGVKUEI-IRXDYDNUSA-N 490.630 2.847 30 10 JFEE N#CC1(C(=O)N2CC[C@@]3(c4ccccc4)CCc4nnc(C(=O)NC5CC5)n4C[C@@H]23)CCCC1 1614940103 HAKBBXPREVBLAQ-FQRUVTKNSA-N 458.566 2.739 30 10 JFEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1614950786 FKHHWFHVLAGRBR-GMAHTHKFSA-N 496.612 2.523 30 10 JFEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1617949758 BZJZVQFNXVDGGF-NRFANRHFSA-N 466.567 2.727 30 10 JFEE COc1cc([C@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)ccc1S(C)(=O)=O 1620679562 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XQBOMEMOFHUTIV-MRXNPFEDSA-N 451.589 2.916 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)no2)c1 1689873819 XWMCKIFLCYEEFR-UHFFFAOYSA-N 458.526 2.541 30 10 JFEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncnc3ccsc23)CC1 1689913336 MDRPSPSOZXPASR-QGZVFWFLSA-N 455.588 2.747 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1689960868 BJLUGLNMWYMHJK-BJLQDIEVSA-N 452.559 2.742 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690024007 OYDICIDWDUNPHG-SFHVURJKSA-N 451.518 2.656 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCc2ccccc2)c1 1690047738 XVIDSKODOXSIOZ-HSZRJFAPSA-N 489.601 2.665 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1sccc1C 1690095979 KQAGSRMEDFKQGW-UHFFFAOYSA-N 473.624 2.700 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2CN(CC)CC)CC1 1690110682 WDLMANXSLVPDKN-UHFFFAOYSA-N 486.624 2.571 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)cc2OC)CC1 1690113889 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2.900 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690637750 KNUOVHKGXSTSIE-HNNXBMFYSA-N 459.392 2.683 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1690670869 LAPIWSFAHONVAO-WIYYLYMNSA-N 454.575 2.546 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1690682578 SKXXSETTWYJKLT-IRXDYDNUSA-N 463.604 2.505 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)C1 1690714538 ODJDQHNMCWYPIB-VNTMZGSJSA-N 466.648 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690728985 CKHCNSNDGGVDIG-KRWDZBQOSA-N 495.671 2.654 30 10 JFEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1695288371 CYFSQRJKZXUBSK-IFMALSPDSA-N 470.643 2.952 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1705481482 HFSIDQYRSJNSHJ-XVWGUNQUSA-N 471.627 2.859 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1705481738 MDAQOPLJPCGNPF-HFSMHLIXSA-N 459.616 2.714 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1705486116 WVXRAEWPGNPVIE-DLBZAZTESA-N 465.562 2.634 30 10 JFEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705535502 OVBMETWXOPPMBZ-FQEVSTJZSA-N 466.605 2.991 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705563569 ACMCMJBBKKIZJU-FDDCHVKYSA-N 485.997 2.528 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1705571854 JQXAAYVSEBHSQL-IRXDYDNUSA-N 484.022 2.729 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1705589768 VXOQLBRQFQSIMI-GOSISDBHSA-N 469.973 2.817 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC(F)(F)F 1705593144 HMMJKIXXZOPYCT-UHFFFAOYSA-N 486.267 2.988 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1705644070 GHPIPQBZDDAVAP-ROUUACIJSA-N 482.551 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1705646477 ZGJDIXRTXNNDRN-MWTRTKDXSA-N 458.994 2.756 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nc(C)cs2)CC1 1705650502 SOCKGJNKRXPPNI-UHFFFAOYSA-N 470.549 2.926 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705655503 FDGWZEDXQSFSOE-GOSISDBHSA-N 461.035 2.909 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(=O)(=O)CC 1705694474 BPAPFNNYAMFPBA-AEFFLSMTSA-N 453.996 2.846 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705705777 LFGCLYGNEMETAW-ZEQKJWHPSA-N 480.657 2.691 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1705829326 NMSVMOWDYDEBRX-LJQANCHMSA-N 452.559 2.646 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1705850035 DVABLAYUUKCGGD-IBGZPJMESA-N 486.642 2.609 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705883269 BUGOYLHCRGKDBN-UHFFFAOYSA-N 458.563 2.581 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2C)C1 1705916736 REEYEMNTDIPMDZ-SJORKVTESA-N 459.572 2.773 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nccc(C(F)F)n2)C1 1705920220 SXNALDWZJDZXST-MRXNPFEDSA-N 490.536 2.906 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOC[C@@H]2C)C1 1705929311 OCFNUXPEDADIFK-VXKWHMMOSA-N 455.603 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1705932001 HQDNJBDHZHDXRY-UHFFFAOYSA-N 451.552 2.940 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705933596 MKIUZCBAQDCITB-LJQANCHMSA-N 470.599 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1705933602 MRBZOWWWZUWXOX-HOCLYGCPSA-N 472.970 2.579 30 10 JFEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 1708061768 AESSVBQTMNZWHD-IBGZPJMESA-N 479.629 2.798 30 10 JFEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1712241929 BMSPHIPYOFPFSI-XXBNENTESA-N 457.600 2.850 30 10 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C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507575619 SLDAFAXUKILEIK-LJQANCHMSA-N 470.549 2.545 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCN1CCCC1 1507617532 VKFKLQJNGCTWIR-FQEVSTJZSA-N 460.623 2.922 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCCN1CCC(O)CC1 1507655043 ZGAQDIYRGCLCDO-UHFFFAOYSA-N 486.414 2.539 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)OC(C)(C)C 1507669124 RSGDHQBJUQEJSY-UHFFFAOYSA-N 453.543 2.950 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC1CCN(CCN(C)C)CC1 1507701588 LPLQTJNNAFZDIG-QHCPKHFHSA-N 468.621 2.835 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1CCCCO1 1507709815 BBYFFMNOWZMMQR-LJQANCHMSA-N 464.570 2.720 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507714505 PTXFUPBJDZDXPD-GUDVDZBRSA-N 487.567 2.546 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1507720858 XKAYGUHOUZOGQU-GJZUVCINSA-N 467.614 2.850 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1507783376 CLYDSSWETDXYEI-OAHLLOKOSA-N 497.415 2.669 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1507856053 DQYCVCVHKUHMKC-CQSZACIVSA-N 452.744 2.890 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507911641 MNAQTPGNCIHPRC-UHFFFAOYSA-N 463.586 2.993 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508094692 JBFPPCIVFDJDDL-UHFFFAOYSA-N 478.641 2.985 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(C(N)=O)nc2)C1 1508114110 JTMILLHDXRNRPI-FUHWJXTLSA-N 466.517 2.881 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCn2cc(Br)cn2)C1 1508127677 YPYLIQITZYXXML-IRXDYDNUSA-N 451.369 2.960 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1CCOC(C)(C)C1 1508137023 XGHWBMHEIHMODH-UHFFFAOYSA-N 498.653 2.641 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1508149262 SADUCOZUBIPLKB-UHFFFAOYSA-N 485.654 2.654 30 10 JFEE 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494.687 2.980 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540197961 AONDOBGYORVMLQ-FPOVZHCZSA-N 456.591 2.827 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1540200804 IMLKJGGDENOBPZ-TZIWHRDSSA-N 455.607 2.642 30 10 JFEE C=CCn1c([C@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1540853628 FXAFOMAVSTVZNF-IAGOWNOFSA-N 467.636 2.886 30 10 JFEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1540856797 TVYZCJHRKASDJZ-UHFFFAOYSA-N 455.588 2.567 30 10 JFEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(CC(F)(F)F)CC1 1540868385 CONOVTNTLUVTBD-UHFFFAOYSA-N 475.519 2.813 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1545273560 FVZVJMOHQZFPRS-NNPDTBDGSA-N 466.586 2.727 30 10 JFEE CC(=O)OCCc1cccc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1546232877 ALKXZNAEOPDLLV-HXUWFJFHSA-N 457.552 2.884 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)CC)cc1 1547972519 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C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSc2ccc(C)cc2)CC1 1588885585 XMMRPGDISJNJQN-UHFFFAOYSA-N 480.638 2.581 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCC[C@H]2C)CC1 1588969004 UJKASXHWIPZCPO-IQGLISFBSA-N 469.561 2.513 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1589502899 ALJWURIGPODIMZ-JLHGSKIFSA-N 455.559 2.610 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1589528006 CFWIDFXOCLUWIK-TZIWHRDSSA-N 459.616 2.860 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1594010173 YTUMMTNWJSTPCY-UHFFFAOYSA-N 482.566 2.564 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1594498356 UBEGHNIFZQPVRN-GOSISDBHSA-N 451.593 2.751 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1594520925 GPBRILHRWWUGNM-UHFFFAOYSA-N 471.694 2.998 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1595219503 VENQHCKCXGDBJG-NRFANRHFSA-N 459.616 2.649 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595467682 YISBDPZNTNHYBH-LJQANCHMSA-N 454.575 2.701 30 10 JFEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595529956 NVWWMMRXGXQQGQ-UHFFFAOYSA-N 489.502 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)o1 1595785131 QZQOVRATQQGRPO-UHFFFAOYSA-N 466.361 2.933 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1595788911 KLZORNIROKVFHF-AWEZNQCLSA-N 478.525 2.676 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595855141 ZJJBFUBUMCSCHI-SJORKVTESA-N 459.572 2.816 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1595860646 SPRPKTFRGHIDOM-UHFFFAOYSA-N 474.656 2.986 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1-c1ccccc1 1611319415 FXDWCNVYBUBFJH-MRXNPFEDSA-N 461.555 2.637 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1CC(=O)N1CCOCC1 1611753622 GIZLZVPZCCTEAS-KRWDZBQOSA-N 456.522 2.546 30 10 JFEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1612451667 CHAGBPHGYYFQDK-JOCHJYFZSA-N 465.558 2.564 30 10 JFEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1614974583 HAXPNOIITZEHRX-GOSISDBHSA-N 467.574 2.694 30 10 JFEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@](C)(O)c2ccco2)cc(OC)c1OC 1619078545 HKPMUZXOQPJFDL-PKTZIBPZSA-N 471.489 2.914 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cc(C)oc1C 1619899744 GQWOVRAAVVBQBO-BKMJKUGQSA-N 492.580 2.871 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)c1 1619912437 CODRRYFZJJWIQH-QFIPXVFZSA-N 454.575 2.771 30 10 JFEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1620358797 FKFVVXKYVAOYAB-MRXNPFEDSA-N 468.505 2.772 30 10 JFEE CC(=O)N(Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1)C(C)C 1633384972 DUXNOOYXNJAWIV-UHFFFAOYSA-N 456.568 2.901 30 10 JFEE C#C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccc(Cl)cc1F 1636313054 UOOOZRPICREADC-PBHICJAKSA-N 458.939 2.694 30 10 JFEE C#CCOc1ccccc1CNC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1650804822 FWCRUADXFMIBPI-UHFFFAOYSA-N 459.531 2.651 30 10 JFEE N#Cc1ccc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1Cl 1661618847 BWXQJCKRAMZYHS-UHFFFAOYSA-N 456.705 2.784 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 1665968587 DAPVLZMZUGACAW-INIZCTEOSA-N 457.556 2.905 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 1668583209 VHNKJGATAYUIRL-UHFFFAOYSA-N 450.435 2.798 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1670318224 HEMJNBNIXURYLV-UHFFFAOYSA-N 457.512 2.973 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1689855289 SDMQGUPCPDCSPO-GIVPXCGWSA-N 465.577 2.682 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCN2CCCCC2)c1 1689871630 ALQLUYRDDNTBSL-UHFFFAOYSA-N 457.582 2.806 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(O)CC(OCC)C2)c1 1689872104 OLQGYCGYGFCUJK-JQJXBVGUSA-N 467.570 2.506 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689982865 WBPYJONRUOZZTE-MOPGFXCFSA-N 493.427 2.759 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984116 LLRHABHPUCJFRR-OAQYLSRUSA-N 455.628 2.619 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1689994327 WHFUELLKSMCHRK-KRWDZBQOSA-N 450.655 2.843 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCc1ccccc1F 1690047716 XKSYHFYSPDEVHG-LJQANCHMSA-N 460.600 2.716 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCOC1 1690102890 WVQJAQNFQKBKDG-WOJBJXKFSA-N 461.607 2.905 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)N2CCOCC2)CC1 1690111591 FVELYSAUSSUBDI-FYYLOGMGSA-N 466.630 2.511 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)CC1 1690128899 LODHWZRKAZGKCI-UHFFFAOYSA-N 456.472 2.808 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1690132793 XNCSGVQNGUNPTP-OAQYLSRUSA-N 484.649 2.540 30 10 JFEE C=C(Br)Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690229662 BMCQDSIFFGJAFP-UHFFFAOYSA-N 453.429 2.566 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1690464507 CSIXENVYMZUESU-SFHVURJKSA-N 464.661 2.936 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1690484765 CWOGFANKEZNAKD-LJQANCHMSA-N 487.626 2.508 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690485252 OFRFNXKKAYOBDC-MSOLQXFVSA-N 467.636 2.840 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCS(=O)(=O)C1 1690556307 SRKTWQLWMWFWRU-LJQANCHMSA-N 468.583 2.761 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(COc2ccccc2)CC1 1690674929 KUIRTPZDNACWNV-UHFFFAOYSA-N 463.586 2.737 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CCOCC2)C1 1690711737 HJVRESKTEWCTEN-JTHBVZDNSA-N 455.603 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690731235 DQHCHDSHSYFMHW-JOCHJYFZSA-N 454.637 2.792 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690739905 BZJPVMDREXAIAT-UHFFFAOYSA-N 456.664 2.649 30 10 JFEE CCN(CCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1695739578 FVADYNMKOSXONV-HSZRJFAPSA-N 485.589 2.915 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1695902911 ADSFSRVKUONSQT-CPJSRVTESA-N 485.608 2.581 30 10 JFEE CCSc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)ccn1 1696530439 HJZIOYIHEYZDES-OAHLLOKOSA-N 463.633 2.574 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNc1ccccn1 1705479684 NUBZWIJXQZVHNA-QGZVFWFLSA-N 466.615 2.902 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CCC2)c1 1705504056 LVAWJPDQTJUVNO-UHFFFAOYSA-N 457.600 2.599 30 10 JFEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1705531570 OFWYVCYLTPRFDU-ROUUACIJSA-N 454.575 2.940 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1705561630 RYLGACQWYZLPQC-FQEVSTJZSA-N 455.540 2.980 30 10 JFEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705562277 ZUEFQWXFOMICHV-LJQANCHMSA-N 467.595 2.853 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(C)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705565611 IYBXIGHCJJXNDQ-HKUYNNGSSA-N 464.538 2.569 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705600273 RYJPKRFXMLDZPU-UHFFFAOYSA-N 467.620 2.692 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1705611523 GYLBXRIOJMTOTH-UHFFFAOYSA-N 459.558 2.529 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)CC1 1705783049 QIBLOJVAWWNJAK-IBGZPJMESA-N 476.622 2.904 30 10 JFEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705822665 MORATYVRPGPXNP-QGZVFWFLSA-N 464.364 2.537 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1705854765 NSDHTFVMVKGZNE-ZJOUEHCJSA-N 494.706 2.522 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1705887282 XGQGAKKRJNTHJC-KSSFIOAISA-N 453.996 2.678 30 10 JFEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705913549 QZVWFAGOINAKBG-HXUWFJFHSA-N 482.585 2.729 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2Nc2cnn(C)c2)C1 1706517645 HHDYAPVZCDFVCJ-OAQYLSRUSA-N 450.547 2.563 30 10 JFEE Cc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)sc1C 1706994985 FSTNZWCHLIGKAH-SFHVURJKSA-N 465.583 2.942 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1722278355 LNUQXMJVFOBQSK-IERDGZPVSA-N 493.475 2.712 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cn(C2COC2)nn1 1722280654 GHLHIUFIWVAOGY-GFCCVEGCSA-N 460.311 2.516 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1722341035 PYINMDUCWIMHLK-RTWAWAEBSA-N 472.634 2.922 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722360601 BBRDLGQUEIYVGN-WOJBJXKFSA-N 473.618 2.831 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722371713 XROGDIGOZBTRRM-LJQANCHMSA-N 497.646 2.957 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1722384599 YHDANIUPNZXSMR-QHCPKHFHSA-N 473.577 2.925 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722405474 CWKFDPIYIBJVIM-UHFFFAOYSA-N 471.558 2.716 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(SC)CCN(C)CC1 1722423629 KRQHVNSLWRXZPL-UHFFFAOYSA-N 457.600 2.587 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnc(C)s2)CC1 1722448353 AHWPZTQDDXINJC-UHFFFAOYSA-N 464.595 2.657 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cc(C)on2)CC1 1722450808 RKYVEFJYSSDHLM-UHFFFAOYSA-N 480.594 2.890 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722452101 RJZGJHYYVOCKPT-IEBWSBKVSA-N 476.599 2.550 30 10 JFEE C=C(Br)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1722488186 CGSQBWIZWFATMD-UHFFFAOYSA-N 487.446 2.867 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722495615 HWYBFDPZWTVZLI-ISKFKSNPSA-N 466.630 2.917 30 10 JFEE 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C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(CC)CC)N1CCOCC1 1300304527 PAVWKYLGKAOPKM-CVDCTZTESA-N 491.640 2.787 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCCCS(C)(=O)=O)c1 1300331823 RKYXLRDRSKDLJH-UHFFFAOYSA-N 459.616 2.847 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](C)CN2CCOCC2)c1 1300332945 RCIMXIUIKMCJHY-NZQKXSOJSA-N 480.613 2.544 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@H](C)C2)c1 1300333053 TZRXIEGUTYQJEV-NZQKXSOJSA-N 491.640 2.798 30 10 JFEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300412723 GQRMXEUEQLLHKX-XUZZJYLKSA-N 478.641 2.670 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1300559071 IVDDLAKJECFUKW-AREMUKBSSA-N 481.572 2.659 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCCC2)CCOCC1 1300597595 NLRBUYHMEHZMBB-UHFFFAOYSA-N 485.032 2.966 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1300654816 IEJLURQNNQVPBZ-NBGIEHNGSA-N 477.617 2.517 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](OCC)C2CCCC2)CC1 1300719542 GEHFPPZGGZJHMD-JOCHJYFZSA-N 467.618 2.630 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(CC)o1 1300733989 PAPGIXOCSRDJAG-WBVHZDCISA-N 451.618 2.752 30 10 JFEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1300837108 HZPMCRLYSVQOBK-SFHVURJKSA-N 460.424 2.853 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1300874036 LGXITBVSMYDWOR-VABKMULXSA-N 460.667 2.614 30 10 JFEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301001475 JXOQHCRKPQTPAE-UWXQAFAOSA-N 464.607 2.684 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1301372152 JANABBLQXSQTJG-GFCCVEGCSA-N 460.423 2.939 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301497160 QBRPVLBOGMDHLE-SFHVURJKSA-N 493.612 2.761 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C2CCCC2)CC1 1301506163 GZPZIYYCKZHANJ-UHFFFAOYSA-N 452.603 2.634 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301510569 YUWDEQVYRBLGFU-KRWDZBQOSA-N 466.508 2.541 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301514835 NMYOEHWBGHSVBS-AFMDSPMNSA-N 483.613 2.841 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)C1 1301871691 HWWPIFVOANNIBL-NRFANRHFSA-N 488.596 2.591 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](c1ccco1)N(C)C 1303413010 BMCCUWFZUYNRHO-IRLDBZIGSA-N 477.569 2.762 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)CCO1 1303530314 BSCDGTDEBGFKFJ-RUZDIDTESA-N 495.672 2.721 30 10 JFEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)on1 1305714895 HXHVKJNQQQHDMZ-NRFANRHFSA-N 463.542 2.708 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1314388091 DYCHOWKNKUQGHK-UHFFFAOYSA-N 489.584 2.550 30 10 JFEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1315250481 CBLYOOGSPDAHPR-AREMUKBSSA-N 481.645 2.760 30 10 JFEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1315961360 HLXZBFOIRLEWLR-FQEVSTJZSA-N 454.575 2.896 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1358889753 GBFFUHHYPDIDIQ-BVZFJXPGSA-N 463.561 2.957 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1358968064 YRNJEZVWXOQBCW-INIZCTEOSA-N 460.556 2.733 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1358987757 RCZDICAAYCFLEW-NBGIEHNGSA-N 450.539 2.763 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N(CC)CC)CC1 1359042661 OVPAGYURHIGNOX-IBGZPJMESA-N 452.603 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C)cc2OC)CC1 1359046615 YWXDCUYUYZZAOT-UHFFFAOYSA-N 458.566 2.595 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@]2(CCOC2)C1 1359133260 OGGIXGKMTNAXCQ-CJFMBICVSA-N 491.633 2.981 30 10 JFEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](COCCOC)C1 1359151056 LVBWSBSNEVBXGY-SFHVURJKSA-N 461.998 2.694 30 10 JFEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359211782 ORISRWNOCREKJK-NRFANRHFSA-N 475.615 2.551 30 10 JFEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359215590 FUKYIGRAJKXAQT-GOSISDBHSA-N 492.550 2.923 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359292979 CJVQKQSOWRCPNQ-JOCHJYFZSA-N 474.613 2.856 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2NC(=O)CC2(C)C)C1 1359313379 LBSXEQGKVQXFDZ-NVXWUHKLSA-N 477.407 2.742 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4nccc(C(C)C)n4)CC3)ccc2c1=O 1447342863 NKGDLRITRVEGGF-UHFFFAOYSA-N 450.568 2.747 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)CC3CCCCC3)nnc12 1457870049 GGWCLIVDJQMCAV-KRWDZBQOSA-N 455.584 2.770 30 10 JFEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)c1 1464326890 BEKNNANGVAPWCT-UHFFFAOYSA-N 455.517 2.604 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C)C[C@H]3CC(C)C)nnc12 1472623680 GKXBDPOMSMBLJD-QGZVFWFLSA-N 454.600 2.511 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1501566464 GHVNVNDPTAXYHI-GBXCKJPGSA-N 483.594 2.948 30 10 JFEE CCN1CCN(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)CC2)C1=O 1502337427 HVSLKIPHFPGZOY-SANMLTNESA-N 495.628 2.862 30 10 JFEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(CN3CCOCC3)CCCCC2)CCOC1 1502626714 AZGNPODWWLSNGX-SQJMNOBHSA-N 474.650 2.809 30 10 JFEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1503366986 GWEYJOGKELXSIQ-UHFFFAOYSA-N 477.594 2.755 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)CC1 1503900333 GTVSOWLLTLIBBQ-UHFFFAOYSA-N 478.557 2.521 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507626487 GAOAEQPCWDVWMX-HXUWFJFHSA-N 453.568 2.588 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1507626701 GTVSVXQBWGDHCH-SFHVURJKSA-N 477.993 2.626 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2ccncc2)CC1 1507731148 BUGVMSAKOQCABL-UHFFFAOYSA-N 479.629 2.786 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nccs2)CC1 1507735062 IXFFVDOMLSMSPN-UHFFFAOYSA-N 459.579 2.872 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC2CCOCC2)CC1 1507743778 CSPBKADLXXGZLG-UHFFFAOYSA-N 455.628 2.869 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507744524 MYLSMWZTXQVJBR-GOSISDBHSA-N 474.594 2.697 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCC(=O)NC 1507755854 WNWBNWAJYICAQB-SFHVURJKSA-N 478.663 2.721 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507801303 TZNQTGJUDLTSRN-JQVVWYNYSA-N 484.626 2.981 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1507832189 RYMHRQGBCOWDSU-HXUWFJFHSA-N 497.568 2.513 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1507865151 LSJQFLVLFQRVMA-SYYJFZTOSA-N 465.042 2.742 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)c(OC)c1)C1CC1 1507994034 WHLDCBSCFYNVQF-FQEVSTJZSA-N 496.033 2.671 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508072938 LMLVBZZBYMPOPK-FCHUYYIVSA-N 479.629 2.704 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)CCC)CC1 1508074156 OONLNGABZSYPFL-UHFFFAOYSA-N 462.957 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(C)Cc1nc(O)c2sccc2n1 1508130964 JPRDJBHMYGIOKQ-ZDUSSCGKSA-N 450.590 2.739 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1508141437 VRKDANAGWJXUAD-HNNXBMFYSA-N 483.019 2.572 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508165365 STGNYQWKFBTROL-INIZCTEOSA-N 454.522 2.688 30 10 JFEE C#CCCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1539086489 GUPWUZSJGCMEMT-OFVILXPXSA-N 472.634 2.704 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1539453216 GODZLKPIVDCICC-QHCPKHFHSA-N 462.646 2.638 30 10 JFEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1539798049 AWJCVSJULIDLRV-CQSZACIVSA-N 457.966 2.636 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539874081 ARJFZZUCYKAZPE-VOIUYBSRSA-N 458.559 2.913 30 10 JFEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539974403 PPGZRBSCGOWHDS-UHFFFAOYSA-N 484.576 2.624 30 10 JFEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540021163 QNKHVYGXAXJMKT-UHFFFAOYSA-N 453.996 2.663 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCO[C@@H]1C 1540129221 SVFDLWDZHPZIQG-NLFFAJNJSA-N 461.570 2.744 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1540864909 OPMDGKVIYJRGBH-UHFFFAOYSA-N 488.539 2.830 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1540891099 OTYWQLVBOIQUGL-IAGOWNOFSA-N 453.465 2.948 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1540895013 JOEYMHPVETVKRG-FPOVZHCZSA-N 460.600 2.690 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H]1CC 1540898617 PJIQWCAJXPSUFV-QFBILLFUSA-N 466.629 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCOC[C@H]1C 1540900339 SDAWDTYGXFZLDZ-CQSZACIVSA-N 455.378 2.534 30 10 JFEE Cc1c([C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 1542501190 HHVWDCHSAYAAAJ-LSDHHAIUSA-N 455.515 2.736 30 10 JFEE C=CC1(CC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CN(C(=O)OC(C)(C)C)C1 1544507122 UPGAFVOLKWZJLB-UHFFFAOYSA-N 456.587 2.655 30 10 JFEE Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(N)=O)C2)cc1Cl 1548367766 MIBXCJFMCGYJKR-GOSISDBHSA-N 486.903 2.904 30 10 JFEE CN(C)C(=O)[C@H]1CC2(CCN(C(=O)c3nccn3C)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548382001 RTKAXTOFMIVEDJ-LJQANCHMSA-N 488.514 2.900 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)cc1 1554868869 GSJRZXWXAPOQDJ-SFHVURJKSA-N 456.547 2.986 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)s1 1557050170 RYRKDHMCTRLIFT-GJZGRUSLSA-N 457.618 2.565 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1cn(C2COC2)nn1 1587662296 MLFPGQLSAYAGGF-KRWDZBQOSA-N 469.977 2.921 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588045014 FKTIKMZDEAAPSC-SFTDATJTSA-N 482.610 2.643 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OCCC)nc1 1588128390 JTEWWAYAYXQESK-UHFFFAOYSA-N 481.560 2.980 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCSCC(F)(F)F 1588309853 GFYASUBRZUXNSH-UHFFFAOYSA-N 460.551 2.993 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1588314587 JYFDXPAVTPQWLO-UHFFFAOYSA-N 475.597 2.831 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2sc(C)nc2C)CC1 1588780350 MQOVQAZLYOLBLY-UHFFFAOYSA-N 452.584 2.839 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1589544540 IJTISWJFVZYDJF-DXIQSLLYSA-N 490.626 2.815 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1593757657 LFRLLHRBYSPWQG-UHFFFAOYSA-N 455.588 2.648 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1595239709 QQARXRBVQNAKCF-VXKWHMMOSA-N 450.587 2.723 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1595343181 FSZVJRYSOBRAMH-UHFFFAOYSA-N 461.408 2.884 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C#N)C1 1595501124 MXKBPBXGZLCLHK-QGZVFWFLSA-N 452.515 2.844 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1595562339 VRPPROLFUXJORT-NRFANRHFSA-N 459.598 2.667 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1595577187 KZAVXXITHDTVCE-UHFFFAOYSA-N 482.629 2.859 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](COCC)C1 1595777861 SBHMIFUPUSQURD-GOSISDBHSA-N 476.599 2.570 30 10 JFEE C=CCSCCn1c(C2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1595871094 FTEXPBAHBAYYBT-IAGOWNOFSA-N 465.620 2.825 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C1 1596576001 DYHOLSAEPXQTIK-JOCHJYFZSA-N 465.602 2.567 30 10 JFEE N#Cc1ccc(-n2ccc(NC(=O)CNS(=O)(=O)c3c(F)cccc3F)n2)c(Cl)c1 1597283609 GIZJSPYWOJZBIA-UHFFFAOYSA-N 451.842 2.593 30 10 JFEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1606826105 DVCKKPSNTTWFDP-MHECFPHRSA-N 454.575 2.583 30 10 JFEE Cc1ccc(OCc2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@](C)(O)C(C)C)cc1 1612142768 DDPKXOXNVUBYDV-SANMLTNESA-N 492.628 2.813 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 1615837314 DIHHXXLKUBXPLD-SFHVURJKSA-N 482.036 2.866 30 10 JFEE Cn1ccc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1618419962 DVQXDRFDCIVVGB-QHCPKHFHSA-N 466.977 2.968 30 10 JFEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1=O 1619930919 FLBZOZBNWAUBIP-QKNQBKEWSA-N 466.586 2.706 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)cc1 1626830796 LLTYVAPRMUQDCO-UHFFFAOYSA-N 459.387 2.610 30 10 JFEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C[C@H](O)[C@H](O)C1 1635252275 FWTLJFBJXNGVPQ-UZPHGZDFSA-N 450.535 2.860 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2c2ccccc2)cc1 1640311570 YAOFWLNVEGCRCM-OAQYLSRUSA-N 454.548 2.565 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1689940231 RJGKYVLKNSKFFU-LEWJYISDSA-N 453.587 2.826 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1689982635 RBVVCHAKQYQKHF-IBGZPJMESA-N 454.552 2.911 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689996213 FEOXZYBTQFWANH-LJQANCHMSA-N 485.635 2.914 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689998100 BLIFSGQHKWTPEY-NLWGTHIKSA-N 460.625 2.937 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1690048068 BCPOASRBAHGZQP-UHFFFAOYSA-N 485.535 2.904 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1690061394 WRPFWIHDLLMEIZ-OAQYLSRUSA-N 471.549 2.938 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1690072801 UNRKUNLKRFGHSW-HXUWFJFHSA-N 477.613 2.635 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1690104833 KCDBGFDXIWIKEY-OAQYLSRUSA-N 468.602 2.997 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(=O)N[C@H](C)CC)CC1 1690117290 BPYSEAXOCSVQRP-MRXNPFEDSA-N 491.409 2.907 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)CN2CCCC2)CC1 1690124381 KGMHZTBAJKXYSY-XZOQPEGZSA-N 499.704 2.880 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690176814 BDWFIQLNOAWAFK-HXUWFJFHSA-N 498.672 2.944 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1([S@](C)=O)CC1 1690196091 XWTNSAHZZBYBGL-CLYVBNDRSA-N 450.406 2.949 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OCC)CC1 1690222982 AWVPGECBZCOPBW-UHFFFAOYSA-N 478.347 2.903 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1690338785 JYIDRDVLYBTBAW-CQSZACIVSA-N 454.756 2.801 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1690432429 DIAWONTVGLVRIU-VXKWHMMOSA-N 487.670 2.638 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690507646 RQSBFMWMRSPUQB-RBUKOAKNSA-N 476.622 2.905 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690663937 ILUZYFVRHMPPNW-DEOSSOPVSA-N 471.627 2.560 30 10 JFEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690670042 XBUVYRLMNNXGAO-UHFFFAOYSA-N 456.978 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1690717546 JIPZBYGQJGHPPL-UHFFFAOYSA-N 487.626 2.536 30 10 JFEE CN(C)CCOc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1696616986 GKEHQQXQPMWBKG-PXDATVDWSA-N 465.602 2.542 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1705494645 CVCXUIGNCKLVPM-ZBFHGGJFSA-N 456.490 2.628 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C1CCCCC1 1705499993 CYEZEXHDMCAKOA-QHCPKHFHSA-N 491.684 2.892 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)C(C)(C)C 1705504394 VCZVSVPFUQZOOS-ZACQAIPSSA-N 467.636 2.720 30 10 JFEE C#CCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705537470 HEXLYNLBCQGNSI-NFBKMPQASA-N 482.604 2.789 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nc2cccc(Cl)c2n1C 1705556231 NJOBRKMIJMYKFD-UHFFFAOYSA-N 453.959 2.927 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1705560793 NMUILSJNAAWUCX-GHTZIAJQSA-N 485.654 2.779 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCN1CC=CCC1 1705619555 UYRFICDYHZYNEY-VWLOTQADSA-N 453.562 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)s2)CC1 1705645078 KPVDVWLFTFHVJR-XMMPIXPASA-N 471.627 2.703 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](OC)C(C)C)CC1 1705646195 UFJDLSFOFLDGGJ-QFIPXVFZSA-N 469.586 2.599 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705664592 UKKSWQABRPXCBO-KRWDZBQOSA-N 469.640 2.754 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1705675094 XSBDSDWADMENBM-HVETUWLQSA-N 463.003 2.733 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705911072 XOXLBSOJITUNJD-QHCPKHFHSA-N 495.672 2.634 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1708339056 BETNULATDRUSIR-MHECFPHRSA-N 488.658 2.864 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccs2)c1 1711714864 BUEHWBGYNOOJOD-ZDUSSCGKSA-N 461.345 2.950 30 10 JFEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)CCC1 1712205369 HBILSSADHLYEKL-OAQYLSRUSA-N 466.586 2.898 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NC(C)C 1712452259 DWLWBLAELVAWPY-UHFFFAOYSA-N 467.343 2.738 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CC[C@H](c4ccco4)C3)n2CC(=O)NCC(F)F)cc1 1712880275 CWXINOZUZKHAFO-INIZCTEOSA-N 456.453 2.697 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722278497 PIOFBULBHQBWSX-QRWLVFNGSA-N 457.522 2.548 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1722285480 WIIFPKXBBWLLHO-ACRQWNCLSA-N 494.640 2.875 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCS1(=O)=O 1722390631 VDVJQNITIHBMQD-SFHVURJKSA-N 471.652 2.630 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1722395854 CDJQFHAAPFPNJP-HSZRJFAPSA-N 490.633 2.553 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1722406518 YJUGOQCULILIOJ-FQEVSTJZSA-N 452.481 2.830 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCN(C2CC2)C1 1722429590 SPIKDTBGOPYWFG-HXUWFJFHSA-N 486.661 2.963 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CC)CC1 1722440775 JLCOYBIBHBAMPF-QHCPKHFHSA-N 491.640 2.597 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1C 1722468435 OQJIYUMJXNTJDA-DRMXPCRNSA-N 471.627 2.860 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722533914 FBSXCKGFXJQOAD-UHFFFAOYSA-N 453.522 2.802 30 10 JFEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722625620 YHGOXMCKSWLFCI-NRFANRHFSA-N 470.599 2.737 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1722689671 WBGYHMSBDCTQLH-HNNXBMFYSA-N 469.521 2.935 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722706815 YYJYPGXSWDWOIL-FDDCHVKYSA-N 457.600 2.565 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)CC1 1722745786 FTJJRYWWCYPRQL-XMMPIXPASA-N 479.629 2.501 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCN(C)Cc3ccc(F)cc3)CC2)c1C#N 1725867425 IALLRMCPPRZKLD-UHFFFAOYSA-N 493.635 2.988 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1729066382 COKSULTXLYSSQO-CPJSRVTESA-N 466.634 2.918 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C1CCCCC1)N(C)C 1729068953 CXANELNRWUAQAI-DENIHFKCSA-N 481.649 2.702 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740581956 IAVPWZUFCZSFJR-LJQANCHMSA-N 457.600 2.505 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740629033 YZSMFHVCJSOHEK-IFMALSPDSA-N 485.654 2.531 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)OC(C)(C)C 1740652590 GDGDEPNSLSSKBG-UHFFFAOYSA-N 489.580 2.570 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740662798 QUNNBNFGBJEXEN-PGRDOPGGSA-N 487.626 2.626 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1740694771 TWAWHFQZNGCULY-BJKOFHAPSA-N 450.631 2.793 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCOc2ncccc2Cl)CC1 1740700425 SPSZEMFFZGUIQS-UHFFFAOYSA-N 482.972 2.748 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(N3CCCC3=O)c2)CC1 1740702051 HLGRXXACMIXLFW-UHFFFAOYSA-N 462.598 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1740708350 MJJZNRKZIUYDMO-GOSISDBHSA-N 463.607 2.998 30 10 JFEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1740747350 GETPCQPGFQEAQT-UHFFFAOYSA-N 475.435 2.620 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1740751793 OPVLNDMVMFOHGH-SCPDWHHUSA-N 483.613 2.967 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1740764191 UZCLSOQMVSGOLZ-WAIKUNEKSA-N 488.539 2.735 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740794007 YJEJHHLNBIBNAQ-UHFFFAOYSA-N 482.050 2.975 30 10 JFEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)N2CCSCC2)CC1 1740839875 POBFGJJTKDXXLW-UHFFFAOYSA-N 497.637 2.928 30 10 JFEE C=CCCCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1740881685 OIMZRJHDZBFGQP-QHCPKHFHSA-N 458.563 2.592 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1)C1CC1 1740910085 IUUWQPRUOVKLJI-INIZCTEOSA-N 461.592 2.950 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740951785 NSTZGUMACILSBS-NHCUHLMSSA-N 480.613 2.928 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1740955654 BJHCVICMKHGMJI-UHFFFAOYSA-N 480.960 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)NC)CC1 1740989284 HSPGPNWHHLYVKY-UHFFFAOYSA-N 466.007 2.552 30 10 JFEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1747770995 BILHHJIDIRNLHH-UHFFFAOYSA-N 492.584 2.966 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1748739107 WFHYMUOIHKCTJA-NRFANRHFSA-N 481.000 2.969 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1COc2ccccc2O1 1748760314 ZTBUPAZBFCLMAF-KRWDZBQOSA-N 451.552 2.959 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1748821118 LWSAQXSRBCFNTL-OAQYLSRUSA-N 471.627 2.870 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)c1cc(C)oc1C 1748956939 OUISVAYRJMAGRP-DEOSSOPVSA-N 452.511 2.877 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)SC 1748961227 YFQHVDZUXJNVIU-UHFFFAOYSA-N 454.600 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(COC)CCCCC2)CC1 1749010659 UQYXQDVCYMTMCT-NRFANRHFSA-N 457.619 2.735 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749047048 NAWWABGECSRTMV-FQEVSTJZSA-N 493.637 2.930 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749119536 UBFOXFMJYMHCCJ-OPYAIIAOSA-N 493.605 2.620 30 10 JFEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC(C)C)C1 1749268604 DEDQGJJVSPAOJO-LJQANCHMSA-N 461.998 2.835 30 10 JFEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1749319272 FDFBABUJYHQGQB-IBGZPJMESA-N 466.586 2.993 30 10 JFEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Br)cn1)C1CC1 1749507806 AQOBANBITHZYGI-LJQANCHMSA-N 451.369 2.744 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1749574733 DCVUCDIRXRVTHL-IBGZPJMESA-N 474.562 2.948 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1749691068 YKELPCMQCBILNS-FQEVSTJZSA-N 455.584 2.923 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](COC)OC)C1 1749718988 LDVZMRWYTHRXFV-QYZOEREBSA-N 465.595 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(F)(F)C1 1749733712 AHKHSDKJXHSWQB-UHFFFAOYSA-N 489.589 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749741236 UTWQVECKYZVZSW-GUDVDZBRSA-N 497.662 2.860 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(Br)cc1 1749821526 BYXOVBGLQIDFRM-UHFFFAOYSA-N 475.391 2.886 30 10 JFEE CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1cccnc1 1750586953 CCOFWJAWYSECMJ-IRLDBZIGSA-N 480.594 2.912 30 10 JFEE C[C@@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1752175736 CDQDBYZEWOZIHN-GOSISDBHSA-N 456.616 2.562 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760190427 QOWCIMMHUUJLKU-GOSISDBHSA-N 455.609 2.563 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1760216155 CJADWOWGLGHLGF-VWLOTQADSA-N 476.606 2.567 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ncccc2N(C)C)n1 1760252294 MQPBPMWXOOWLTH-UHFFFAOYSA-N 450.591 2.568 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C 1760275771 IHUREPIGTVHZFY-AWEZNQCLSA-N 478.416 2.750 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 1760330395 BHCVGCCAVULXQI-UHFFFAOYSA-N 458.632 2.860 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760357571 FDMMPKIPUOSCEF-QHCPKHFHSA-N 480.657 2.903 30 10 JFEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760437082 QXQYFLCDHOYJLJ-KRWDZBQOSA-N 463.604 2.789 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760445687 SHOXESVHXVYEGN-FQEVSTJZSA-N 472.634 2.582 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1760480511 XDDNWGVHPUDCNS-NRFANRHFSA-N 455.584 2.671 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1760491732 RRPPTWQQYAGOKJ-KRWDZBQOSA-N 473.507 2.983 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1760536976 KRZMAHXZTMYOGS-OFVILXPXSA-N 484.601 2.853 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1760555461 GFCHCEJTKSMOHO-UHFFFAOYSA-N 471.627 2.889 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCCC2)CC1 1763948784 BIURFJGHMXMTLE-HXUWFJFHSA-N 479.629 2.813 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1766032685 AJFPVNRGDIUPSR-AGILITTLSA-N 498.628 2.902 30 10 JFEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1769517590 FWEOSVOAJCFHCR-HXUWFJFHSA-N 479.629 2.765 30 10 JFEE COCCN(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1769779301 ALJNIQPGAZOXSG-FDDCHVKYSA-N 479.601 2.760 30 10 JFEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2C(=O)/C=C\c2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 1772743037 TWTRDRGVBCXWEU-DRENIETOSA-N 467.518 2.704 30 10 JFEE COc1ccc(S(=O)(=O)N(C)c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)cc1 1858272543 URQATBIVRUTMGK-UHFFFAOYSA-N 458.521 2.588 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)cc1 1858376381 MICOPFJHFDNOBX-LJQANCHMSA-N 454.552 2.690 30 10 JFEE 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CDDXMCNCAHSTBR-QFIPXVFZSA-N 484.578 2.994 30 10 JFEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 1868619542 GVKRBRGRRWDXNE-LJQANCHMSA-N 453.992 2.979 30 10 JFEE CCCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(C)CC(=O)OCC 1868796562 VPKWJEYKULSSEM-MOPGFXCFSA-N 462.616 2.721 30 10 JFEE CCCCN(CCO)C(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869928089 PXNNCSBWOOYPAS-HXUWFJFHSA-N 475.636 2.648 30 10 JFEE CCN(CC)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870349129 BDLJMECEAXHXHV-UHFFFAOYSA-N 479.625 2.695 30 10 JFEE COc1cc(/C=C2\Oc3c(cc4c(c3C)OCN(CCNC(C)=O)C4)C2=O)cc(OC)c1OC 1871352701 YMBNFOQKVLWPML-UWVJOHFNSA-N 468.506 2.925 30 10 JFEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(N3CCN(CCO)CC3)ncnc21 1873660867 DXYTVGKDPSMYRC-UHFFFAOYSA-N 454.962 2.946 30 10 JFEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccc(O)c2)cc1OC 1874200328 WIFFKRMYIUGEAG-ZMOGYAJESA-N 455.540 2.636 30 10 JFEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(OC)c2)cc1 1874219736 BHKDGDLSVDEDBX-AFUMVMLFSA-N 485.566 2.775 30 10 JFEE Cc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874252787 VVCPTDASVQHAPV-YDZHTSKRSA-N 454.512 2.966 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccnc1 1874272834 SDWSUALNFPFVPJ-ZRWQFTNJSA-N 457.604 2.630 30 10 JFEE COC(=O)c1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCC(N)=O)cc1 1874317030 CNBRSCPLPKLDSR-ZVHZXABRSA-N 453.524 2.536 30 10 JFEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1 1874336857 DYOHIBREZGNOOJ-KZKMUKRCSA-N 458.588 2.512 30 10 JFEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OCc1ccccc1C 1874432435 GCXKFEPGGCRDKN-KKMKTNMSSA-N 496.593 2.660 30 10 JFEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)ccc1OC 1874434423 DXXOAYTWIUHLLA-ZMOGYAJESA-N 476.603 2.554 30 10 JFEE C=CCOc1ccccc1OCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N 1874554689 TUVLOHDGFRZTLC-UHFFFAOYSA-N 456.484 2.775 30 10 JFEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N[C@H]2CCN(C3CCOCC3)C2)CC1 1890192190 WYEYBPFERZMHIY-KRWDZBQOSA-N 455.584 2.861 30 10 JFEE 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LEDUOLQZGFRUEB-XZOQPEGZSA-N 468.623 2.813 30 10 JFEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)N2CCC3(CC2)C[C@H]3C#N)C4)c1 1891727508 MXUOXJZCYIQROX-FUHWJXTLSA-N 460.563 2.907 30 10 JFEE CC1(C)OB(c2cncc([C@@H]3CN(C(=O)OCc4ccccc4)C[C@H]3C(=O)O)c2)OC1(C)C 1906085429 JOQFQMDHPFMEFB-VQTJNVASSA-N 452.316 2.818 30 10 JFEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124537023 VGGVGQQOXGBUCJ-QGZVFWFLSA-N 452.332 2.993 30 10 JFEE Cc1ncnc(N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2172775962 JMCOPXLKYYZZEA-VWLOTQADSA-N 450.392 2.566 30 10 JFEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180980789 MNQHCZGHGNSSDW-IBGZPJMESA-N 456.392 2.902 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206611022 JBGXGBKUYLTDPT-IRXDYDNUSA-N 461.368 2.591 30 10 JFEE CC1(C)OB(c2cccc(O[C@@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)n2)OC1(C)C 2247660302 CKSVWHIMZAZOHV-RTBURBONSA-N 454.332 2.844 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255642199 BVSISIYBRHVXHW-CQSZACIVSA-N 451.398 2.819 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H]3NC(=O)OCc3ccccc3)cc2)OC1(C)C 2255752091 FIBAYJVTKHINAQ-RTWAWAEBSA-N 486.399 2.722 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255837637 SFIOOQFGEZXYNJ-AWEZNQCLSA-N 451.398 2.914 30 10 JFEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2255859734 URLQKGQYHWAYDK-XBEXLBAHSA-N 457.402 2.561 30 10 JFEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@H]3CC[C@@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2256014569 OPTDYFXLTQITQN-PMACEKPBSA-N 466.343 2.879 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 2257488491 WSOZSJDAGGOOKI-BGYRXZFFSA-N 465.359 2.876 30 10 JFEE CC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2267471745 VMBSVUZUMKBSJP-UHFFFAOYSA-N 486.465 2.973 30 10 JFEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2267500197 FEAAWCPOXIRBEU-OAHLLOKOSA-N 468.787 2.597 30 10 JFEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267710632 YQUXTTMCCUTIBJ-INIZCTEOSA-N 486.465 2.818 30 10 JFEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@]34C[C@H]3CN(Cc3ccccc3)C4)c2)OC1(C)C 2267713563 CFXLRLHWKQGSMX-CYFREDJKSA-N 454.401 2.539 30 10 JFEE Cc1c(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281797364 UKAQGKVTZAFOMY-MRXNPFEDSA-N 462.400 2.547 30 10 JFEE Cn1ncc(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2281822625 AVTYTIMFNWYPNW-FQEVSTJZSA-N 452.408 2.894 30 10 JFEE Cc1sc(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281953555 MBXKUOWMXJBWJN-SJORKVTESA-N 478.420 2.816 30 10 JFEE CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281983280 SOWOTHWBAASQGC-UHFFFAOYSA-N 462.400 2.818 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCC2(NC(=O)OC(C)(C)C)CC2)n1 2281999077 BPXGWNDOQBBQSS-UHFFFAOYSA-N 462.400 2.770 30 10 JFEE Cc1cc(C(=O)N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2282007474 CEYLHHRKGXIKJN-OAHLLOKOSA-N 478.420 2.552 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2282022691 VNHAHLGRUHBWDO-SJORKVTESA-N 480.798 2.739 30 10 JFEE Cc1nc(C(=O)N2C[C@@H](C)CC[C@H]2CNC(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2282030221 CBWIJJMNSLWDFW-AAEUAGOBSA-N 475.342 2.670 30 10 JFEE CCCN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282033900 AFKSKHVBTZNPPX-INIZCTEOSA-N 462.400 2.581 30 10 JFEE CN(C[C@@H]1CCCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2282043076 LLPMVLVFQWOPPA-INIZCTEOSA-N 462.400 2.581 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282189178 GTBDVWVPCYTFPF-DEOSSOPVSA-N 457.380 2.996 30 10 JFEE C=CCC1(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282345335 OTJQLHRONFIZKG-UHFFFAOYSA-N 478.420 2.830 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282351320 YZFXHJMDWHADQD-KRWDZBQOSA-N 480.436 2.911 30 10 JFEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2282400932 KAJABAAVGFRWTF-JSGCOSHPSA-N 458.261 2.797 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2282407870 DLSFTOVDWGNSGB-ROUUACIJSA-N 478.420 2.677 30 10 JFEE Cc1c(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555469 UANCTHROLDBKKW-ZWKOTPCHSA-N 452.408 2.763 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)[C@H]1C 2282557124 QROZTHHXZOJWEC-HWWQOWPSSA-N 458.286 2.805 30 10 JFEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@]23CC[C@@H]2CCCN3Cc2ccccc2)OC1(C)C 2282595982 BKUZYRKBNCBTTK-UQBPGWFLSA-N 450.392 2.884 30 10 JFEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282612524 UMZIBEDSVAYMCG-LWYYNNOASA-N 451.376 2.833 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282632176 IBTDIXQNGYJMOG-ZWHCBUBPSA-N 458.364 2.953 30 10 JFEE Cc1cc(S(=O)(=O)N(C)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)sc1B1OC(C)(C)C(C)(C)O1 2282839224 AQEGRTPFHAQTGA-SCAQPMJSSA-N 498.476 2.842 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282851769 GVQQAOJKLZGBKZ-HSZRJFAPSA-N 480.436 2.911 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2283091907 KREAXBJSBCFFRQ-IRXDYDNUSA-N 480.798 2.739 30 10 JFEE Cc1nc(NC(=O)[C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2283947514 AZONDNOHUUXVNJ-HOCLYGCPSA-N 460.384 2.916 30 10 JFEE COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283960053 UCXOSKPPDQTXEL-GOEBONIOSA-N 483.440 2.939 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2283966709 YATVHJAWWDMCML-ZWKOTPCHSA-N 480.436 2.936 30 10 JFEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283968818 NBCPJRPXARHWGV-KSSFIOAISA-N 480.436 2.860 30 10 JFEE Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2283969271 IBAHTRRKRCUZKE-HKUYNNGSSA-N 460.380 2.993 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C 2283984463 WMOGYCYTKGAAHV-RDJZCZTQSA-N 480.436 2.766 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)=C[C@H]1O 2284055501 UOEONFDBDANYBA-ZWKOTPCHSA-N 462.327 2.648 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)c(Cl)c2)OC1(C)C 2284400362 VRHOUWWSXVANPZ-GOSISDBHSA-N 495.790 2.588 30 10 JFEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2287047055 USTHUWUJIHQVLJ-LJQANCHMSA-N 458.364 2.969 30 10 JFEE O=C1C(NS(=O)(=O)c2ccccc2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc21 2293201919 BROCXCNDCJCHTF-UHFFFAOYSA-N 458.542 2.985 30 10 JFEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1 2297062109 MYSFWRVJZRNFEI-OAQYLSRUSA-N 466.563 2.848 30 10 JFEE CNC(=O)[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 2297650439 NHUSRFYQWKQZPC-ROUUACIJSA-N 474.487 2.651 30 10 JFEE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1C=NCCc1ccc(S(N)(=O)=O)cc1 2297736636 HWXWVZYSOAANSO-IBGZPJMESA-N 457.512 2.675 30 10 JFEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301499267 JORYGZVELORABL-WOJBJXKFSA-N 452.617 2.901 30 10 JFEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(CCN1CCOCC1)CO2 2322160009 SLFKWVUMSZNZTG-UHFFFAOYSA-N 450.491 2.824 30 10 JFEE NC(=O)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325926726 GSBQPTGQTHVZLD-UHFFFAOYSA-N 491.327 2.705 30 10 JFEE COCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331248813 QHKCYLXGHHCWFP-UHFFFAOYSA-N 474.474 2.833 30 10 JFEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2SC)ccc1B1OC(C)(C)C(C)(C)O1 2339787103 VUEROYSOLHJICP-HZPDHXFCSA-N 465.425 2.574 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2359271825 ZAKPEWMYFBVTCT-JQHSSLGASA-N 457.380 2.899 30 10 JFEE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362561166 BPBHIJZUOQKFHP-TUICBCIOSA-N 499.464 2.984 30 10 JFEE CC1(C)OB(c2cc(N3CCO[C@H]4CCN(Cc5ccccc5)C[C@@H]43)ncc2F)OC1(C)C 2371990446 MLSLSTUREJUGIX-VXKWHMMOSA-N 453.367 3.000 30 10 JFEE O=C(CSc1n[nH]c(N/N=C/c2cc(Cl)ccc2O)n1)NCc1ccc2c(c1)OCO2 59018613 CSDQWYDXVGGTNS-GZIVZEMBSA-N 460.903 2.747 30 10 JFEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(C(F)(F)F)cc3)n[nH]2)cn1 59886727 YGYZRSIFOAQJIA-PGGKNCGUSA-N 482.492 2.521 30 10 JFEE COc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCOCC3)SC2=S)cc1 97474687 OXCOKSHOADVWSH-UDWIEESQSA-N 496.614 2.812 30 10 JFEE COc1cc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)ccc1O 103100737 GYQYBDPPSBEMEM-AGGMBTAESA-N 480.498 2.675 30 10 JFEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 103114645 OIRFRZURJKFBJT-QQYUXEJHSA-N 496.560 2.856 30 10 JFEE COc1ccc(Br)cc1/C=N\Nc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C 606629623 CYTUAXVKICFNDU-MSXFZWOLSA-N 497.353 2.699 30 10 JFEE CC(=O)O[C@@H]1CC[C@]2(C=NO)[C@@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 1081167949 XEZYOTFVCGERLI-XULSRKSJSA-N 461.555 2.730 30 10 JFEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)NCc2cccc(C(F)(F)F)c2)n[nH]1 1084184243 YQJZFXZQJMCFKA-UHFFFAOYSA-N 452.466 2.720 30 10 JFEE C#C[C@@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)c1ccc(Br)cc1 1190716039 OZEIEZXKEUNZMG-GOSISDBHSA-N 451.342 2.969 30 10 JFEE C#C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)C1CCOCC1 1231332172 PAJQCHLEQSSTMI-SFHVURJKSA-N 454.354 2.654 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)OC(C)(C)C 1286285766 PXWHNXUUXBGQTG-INIZCTEOSA-N 475.619 2.611 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1286389290 HLKGFYPEVFWJMM-NRFANRHFSA-N 484.651 2.901 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(CC)C1CC1 1286413843 OGGDHTVTJZRPNK-FQEVSTJZSA-N 454.619 2.950 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C1CCCC1 1286428223 QWKWZHZKVOHJTL-QFIPXVFZSA-N 484.645 2.924 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@H]2C)n1 1286470887 DPPJGRDFGDWVJY-FQRUVTKNSA-N 473.581 2.851 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSCC#C)CC1 1286488382 NANAEOYHVNSKOK-UHFFFAOYSA-N 473.549 2.879 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1286581474 JJFURDITJUOPDK-PXNSSMCTSA-N 481.594 2.620 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1286666006 GXSPBKYLNVOBLY-IRXDYDNUSA-N 463.604 2.767 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286666667 CVWDOUUJNXWENW-QZTJIDSGSA-N 452.669 2.801 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F)C1CC1 1286738463 VDCAYTYCNYHYEI-QRWLVFNGSA-N 470.517 2.785 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCc1nccnc1C 1286742287 WPHVHKPVGJWNBQ-UHFFFAOYSA-N 456.554 2.806 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](OC)C1 1286814538 BDMYOECJMURWCY-GOSISDBHSA-N 456.572 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286821648 RGPWIGZFYNWAQB-GOSISDBHSA-N 488.589 2.759 30 10 JFEE CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)NC(=O)OC(C)(C)C 1287092792 CEFLGLHLBCHZIF-UHFFFAOYSA-N 459.595 2.834 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1300302736 DKSPXTDGKPYVFW-NRFANRHFSA-N 490.656 2.551 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1300489533 OJTBNHCIJVCIAS-QGZVFWFLSA-N 466.007 2.825 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300500831 DUHDNINPZQSAGN-HXUWFJFHSA-N 475.684 2.679 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(NC(C)=O)cc1 1300559683 XQVXNTOCHPUAGP-AREMUKBSSA-N 463.582 2.983 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)[C@H](C)CC 1300648887 HBKPUGZIRQLHCO-QUCCMNQESA-N 461.607 2.689 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1300708101 NDVDTTGQMHMELN-GOSISDBHSA-N 496.356 2.799 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1300728759 FNPUKDGMTHCPSM-UHFFFAOYSA-N 466.561 2.754 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1300762418 PBKCUMNEOMGOHZ-FKBYEOEOSA-N 488.702 2.513 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1300873501 HCYZXRCKPJRNPU-PTUXOGIPSA-N 450.587 2.955 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1300900886 JKDDDSXRZDNZAD-UHFFFAOYSA-N 451.369 2.687 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300982932 RWJBCLNEEOTEEK-UHFFFAOYSA-N 482.610 2.752 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1301040619 HDUWKHPMMOTWTB-CQSZACIVSA-N 457.934 2.538 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301240958 JGQREPOGOIFQQQ-GOSISDBHSA-N 490.406 2.741 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1301339160 IJFHDTYKLFQPAJ-FCHUYYIVSA-N 484.626 2.660 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(CC)CC1 1301342007 QRVFAROYBWOLCI-QFIPXVFZSA-N 465.646 2.733 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301492096 XKSWSZUZUDUXLB-UHFFFAOYSA-N 491.493 2.818 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301492870 QATJTNLVEMVFTM-QGZVFWFLSA-N 470.574 2.702 30 10 JFEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(N2CCOCC2)CCCCC1 1303330895 HJGLPSCSVSXIHE-UHFFFAOYSA-N 479.629 2.959 30 10 JFEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(OCCN(C)C)cc2)o1 1304325022 FWGSJTTWVKMXSN-NRFANRHFSA-N 450.543 2.758 30 10 JFEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1CCN(C(C)=O)CC1 1314405061 AXCAVPOIASEFKN-QFIPXVFZSA-N 452.559 2.523 30 10 JFEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1)C1CC1 1315146069 IDWGXJWULMAUGI-RUZDIDTESA-N 466.586 2.991 30 10 JFEE COc1ccc(C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1315369964 DHLPSKWJYJBKPL-FQEVSTJZSA-N 462.554 2.988 30 10 JFEE CSc1cccc(F)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316418249 CQQMSXFFZGGNLU-UHFFFAOYSA-N 494.600 2.919 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCC(C)C 1358877192 YQLSSQLHPXWSDB-MBSDFSHPSA-N 461.632 2.841 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1358923809 BSJHPRQJBQVARE-OAQYLSRUSA-N 458.360 2.989 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1358956017 YNBWNWIIMOEKPV-DHIUTWEWSA-N 483.682 2.767 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358958756 VJQMTQVRBYTGMJ-VQTJNVASSA-N 459.616 2.594 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358968140 ZXVAPUWYJBNYLS-INIZCTEOSA-N 474.480 2.648 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CC 1358976798 QXDXYHNSIZKAGV-FQEVSTJZSA-N 457.582 2.622 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccn(CC)c1=O 1358978011 BNIVRYGFVSDQDP-UHFFFAOYSA-N 478.597 2.695 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1)N1CCOCC1 1359024703 SYDYYOUKRDZCLO-PKTZIBPZSA-N 453.587 2.679 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359033018 MHJQJWFILLQQQR-GOSISDBHSA-N 482.585 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)CCCO2)CC1 1359047292 ZVUXDJULPGRJNZ-VWLOTQADSA-N 451.571 2.700 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359059688 WOMWVDKRISPACC-UHFFFAOYSA-N 465.627 2.578 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359062542 KYQUXCIQSLAHGH-NJDAHSKKSA-N 472.659 2.973 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1359083346 IECMAFDLNDNLFZ-KRWDZBQOSA-N 492.422 2.904 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359086130 LIWCLZGIOAAGGD-CQSZACIVSA-N 466.365 2.812 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1359104799 FZZWHRAEZZCISV-FYQPLNBISA-N 488.633 2.998 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359210425 SFRJYPJPFDSYHR-UHFFFAOYSA-N 486.642 2.610 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1359241228 JIYHEOAJJBTEPR-UXHICEINSA-N 478.638 2.566 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359295767 NCDXSNOBLYIFJF-QGZVFWFLSA-N 479.412 2.855 30 10 JFEE CCCC(O)(CCC)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1500153958 GPCYANRIJSUVFU-MRXNPFEDSA-N 451.531 2.654 30 10 JFEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCS(=O)(=O)C2)cc1OC 1502788566 CUHSKZUVGJDNCP-SJORKVTESA-N 461.588 2.916 30 10 JFEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OCC(C)C)CC2)cn1 1504898348 IDSQRDQUIRAUEF-UHFFFAOYSA-N 492.584 2.623 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCCCC2 1507521030 UTEHXLTWXLSMQI-CQSZACIVSA-N 457.380 2.870 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CC=CCC2)c1 1507550107 ULXCDVBPEQKEAG-MHZLTWQESA-N 492.624 2.637 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507594892 KOPWVFVICJWILW-FQEVSTJZSA-N 457.962 2.752 30 10 JFEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507619145 HMKFEKPBUQAJLH-RTBURBONSA-N 489.667 2.853 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507625453 JHXVTPRFGMQNIG-HXUWFJFHSA-N 473.002 2.820 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507638442 FMUZLGAFDUQZKR-RTBURBONSA-N 462.641 2.852 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1507677772 JQMGSKKACDTTAZ-OAQYLSRUSA-N 451.619 2.633 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCC3(CCCCC3)O2)CC1 1507735944 JQAVTXFSIYSTPB-IFMALSPDSA-N 487.645 2.850 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1507748384 QIBKAFMABCOPAJ-UHFFFAOYSA-N 488.621 2.563 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(CC)c1 1507804255 JKIVEUKOKIETNW-AZUAARDMSA-N 450.547 2.759 30 10 JFEE C=C(C)COCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1507849629 ZUWOEFGPOBTTCI-TZIWHRDSSA-N 454.571 2.701 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1507983188 SORPLOLKSJJCCG-IBGZPJMESA-N 463.586 2.946 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 1508070811 DKYILVGAWWQBBG-INIZCTEOSA-N 467.599 2.712 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508073775 MLMFAQJNSHKXPR-INIZCTEOSA-N 460.941 2.631 30 10 JFEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C 1509117374 GEKKRXHSOAOSEJ-HXUWFJFHSA-N 488.658 2.718 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1509210728 HJYGECDELGVZRA-LJQANCHMSA-N 476.551 2.954 30 10 JFEE C[C@@H]1CCCC[C@H]1OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1512133742 GXKANRNOTGOIPJ-NFBKMPQASA-N 479.629 2.622 30 10 JFEE CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)CC#N 1516811475 FAJXPCZBPGFTDK-AWEZNQCLSA-N 470.393 2.793 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(SC)CCOCC1 1538976691 OLPLDYRHEBCLLH-MRXNPFEDSA-N 476.672 2.917 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539222163 UDAUYCJDTKFOJV-HZPDHXFCSA-N 466.966 2.640 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1cnn(-c2ccccc2)c1 1539290183 PVFZYCZRNJSXIH-UHFFFAOYSA-N 469.574 2.771 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1539428306 PTASTVZJWYCEFO-UHFFFAOYSA-N 469.471 2.748 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C(C)(C)C)CC1 1539475547 HBSGILGIKLCCRL-UHFFFAOYSA-N 471.005 2.727 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1539534098 YPJFAKAOBKXRCF-OTWHNJEPSA-N 479.647 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CCc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1764438783 GRLOALUUKUGBCB-LEWJYISDSA-N 493.637 2.864 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1768980565 IETMVOGFUFVNBB-JTSKRJEESA-N 455.540 2.564 30 10 JFEE CO[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CC#N)CC1 1769584978 GQQAITALIYQTBQ-NRFANRHFSA-N 451.619 2.808 30 10 JFEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(OCC)c(OC)c2)cc1 1858973616 XHHWBVVLJUXPDY-UKTHLTGXSA-N 487.578 2.640 30 10 JFEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC 1862597486 VBHMPHVLDMBJCD-QHCPKHFHSA-N 482.533 2.710 30 10 JFEE CN1CCCc2cc([C@@H]3C(C(=O)c4ccc5c(c4)OCO5)=C(O)C(=O)N3CCCNC=O)ccc21 1862631718 FYVTXUFWPYAGSW-HSZRJFAPSA-N 477.517 2.512 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@H](CO)C2)=C(N)Oc2c1c(CCC)nn2C 1865222520 HRVPREABJHEZAT-UWJYYQICSA-N 466.582 2.863 30 10 JFEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CNC(=O)c3ccc(N)cc3)sc2c1 1866101829 GLBCKDRNWMDELB-UHFFFAOYSA-N 485.591 2.610 30 10 JFEE CCOc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 1870098281 WTTKRPSZCXESEE-UHFFFAOYSA-N 458.456 2.645 30 10 JFEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870144050 MBRNKBBGOTVFRM-UHFFFAOYSA-N 454.368 2.783 30 10 JFEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870383582 KIFIMKRAUCOPAU-UHFFFAOYSA-N 491.592 2.785 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C(=O)OCC)cc2)cn1CCN(C)C 1870703884 AXJOBIBQRFJSJW-UHFFFAOYSA-N 496.608 2.778 30 10 JFEE N#Cc1ccc(COc2cn(CCOCCO)c(CNc3ccc4[nH]ncc4c3)cc2=O)cc1 1871253972 NNPWKDHOKAVOSA-UHFFFAOYSA-N 459.506 2.796 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(N(CCO)CCO)ncnc21 1873646828 OMCSWBRHRMKSMC-UHFFFAOYSA-N 452.559 2.507 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(O)cc1 1874211002 IZITZPNEBOTCNF-SZMVHAFZSA-N 465.535 2.647 30 10 JFEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2F)cc1 1874431029 IMQJROSHAMXSNC-BHGWPJFGSA-N 456.503 2.675 30 10 JFEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@H](N(C)c3ncccn3)C2)[C@H]1c1ccc(C#N)cc1 1890461619 WJHJBPNKCKOTQP-WWNPGLIZSA-N 478.622 2.869 30 10 JFEE COc1nc(N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2172786342 ZJZMRAOEJMYVJI-UXHICEINSA-N 450.392 2.743 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(N(C)C(=O)OCc2ccccc2)C1 2255677587 BUKJIXBXFWRITN-UHFFFAOYSA-N 467.375 2.900 30 10 JFEE CC(C)[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2255749395 SMDNYTKZPKBTJB-OAHLLOKOSA-N 474.454 2.875 30 10 JFEE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255751575 CFBRQKLEYCNWGV-GOSISDBHSA-N 462.446 2.942 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCC1 2255832568 NZYVZSICMJSRQL-UHFFFAOYSA-N 451.398 2.928 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)s2)OC1(C)C 2255877337 JGYSBCGQEFKBSS-ROUUACIJSA-N 486.399 2.861 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 2267138758 WPUFPBOVCLTYAI-UKRRQHHQSA-N 465.425 2.984 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267374095 MMKGPVDPZCSRIP-LSDHHAIUSA-N 486.465 2.971 30 10 JFEE CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267472939 YBMMIIZYCLMURP-UHFFFAOYSA-N 468.425 2.662 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2267476266 WAPIXZNTLHWPEB-ILXRZTDVSA-N 463.409 2.818 30 10 JFEE CC1(C)OB(c2cncnc2C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)OC1(C)C 2267580269 DVERWCRVUMUVBA-LJQANCHMSA-N 480.374 2.554 30 10 JFEE CN(C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267712843 HZARUHRPNSRUIN-HUUCEWRRSA-N 484.449 2.533 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267716951 VPSROBPZDWMKES-LSDHHAIUSA-N 490.428 2.673 30 10 JFEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267718068 NOYRLMPYUMJQDM-CQSZACIVSA-N 486.465 2.923 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268633021 PPFJDKBRNYXKEY-WBVHZDCISA-N 450.316 2.746 30 10 JFEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 2281806841 HETVJBYWUNDCTP-HNAYVOBHSA-N 460.380 2.980 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1C 2281999453 DUZRATWYLBBJHG-HOTGVXAUSA-N 480.436 2.764 30 10 JFEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H]4CC[C@]43CNC(=O)C(F)(F)F)ns2)OC1(C)C 2282010565 YQVOOMKKWLVSAE-BLVKFPJESA-N 473.326 2.506 30 10 JFEE CO[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@](C)(CNC(=O)OC(C)(C)C)C1 2282019166 HSNZJCQBSWFMMY-FPTDNZKUSA-N 481.424 2.587 30 10 JFEE Cn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C3(CCC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282065866 DTUZZKYWOKUCOB-LJQANCHMSA-N 450.392 2.646 30 10 JFEE Cc1nc(C(=O)N2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282136617 UOYJMVIBALMNDC-HNNXBMFYSA-N 481.424 2.507 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282184637 VYRFAJVSQBDYHP-SFHVURJKSA-N 457.380 2.900 30 10 JFEE Cc1cc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)sc1B1OC(C)(C)C(C)(C)O1 2282310844 ZJMUXOOGXNZXAO-LJQANCHMSA-N 492.472 2.535 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282322251 IXXHASOVGMPJAP-GASCZTMLSA-N 484.399 2.707 30 10 JFEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282344191 JYJWJLPKOIOBIZ-KRWDZBQOSA-N 480.436 2.863 30 10 JFEE C[C@@H]1CCN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2282465073 RDDGZFSSOFPIPJ-IUODEOHRSA-N 458.261 2.654 30 10 JFEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2282529793 LOMMSJSGMOSSTD-OYLFLEFRSA-N 458.364 2.734 30 10 JFEE CC(C)[C@@H](CCN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282557273 SLXOMZAPOYJTAC-QGZVFWFLSA-N 464.416 2.731 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282567504 OYFDKJGLIPCUOR-HSZRJFAPSA-N 480.798 2.741 30 10 JFEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282682839 UZOBKGYONMCMCC-UPCLLVRISA-N 461.412 2.947 30 10 JFEE Cc1cc(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)sc1B1OC(C)(C)C(C)(C)O1 2282695030 YCDSFOXXPYOQHI-JKSUJKDBSA-N 478.420 2.816 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282836924 ACAQNIFTNMIDHH-CVEARBPZSA-N 484.399 2.849 30 10 JFEE CC1(C)OB(c2cc(N3CCC(CNC(=O)C(F)(F)F)CC3)ccc2[N+](=O)[O-])OC1(C)C 2282933151 VBVHYGGTOMNFAX-UHFFFAOYSA-N 457.258 2.789 30 10 JFEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](N1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C21CC1 2283068730 NPTWJGODJJYBIL-CABCVRRESA-N 456.352 2.695 30 10 JFEE C[C@H](NC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2283943588 BPDZGHNNAYKNHB-UXLLHSPISA-N 480.436 2.842 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCCOC1 2283962431 KHBREWPQRWEQPM-QHCPKHFHSA-N 480.436 2.985 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283977766 UGDHGJNWOJMFSV-IEBWSBKVSA-N 458.364 2.557 30 10 JFEE Cc1cc(NC(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2284055408 SNIOEBLXGUQMCF-MOPGFXCFSA-N 458.364 2.817 30 10 JFEE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2284064210 WTTIUMIZCUTHNN-VRXSFPRUSA-N 460.380 2.581 30 10 JFEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)O 2284430471 UXNYRJVDJJFNOY-QRWLVFNGSA-N 457.307 2.913 30 10 JFEE CC1(C)OB(c2cc(F)ccc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2284464533 JTQJHSACBCOPHW-GOSISDBHSA-N 457.307 2.915 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2288248517 YNHPNZRBMXFSGH-FYSMJZIKSA-N 457.380 2.676 30 10 JFEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303165469 LGTONEVCDIYEMH-INIZCTEOSA-N 476.404 2.807 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315644257 KKTNJGYOXCWKSE-AWEZNQCLSA-N 451.398 2.962 30 10 JFEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2317603619 RJQPSWAKJKNROH-LBPRGKRZSA-N 474.816 2.970 30 10 JFEE COc1cc(C=Nn2cnnc2SCC(=O)Nc2ccccc2)ccc1OCCN1CCOCC1 2321218511 IROOFTRUAKZSSO-UHFFFAOYSA-N 496.593 2.611 30 10 JFEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)[C@H](NC(=O)OC(C)(C)C)COC1(C)C 2325472627 IQNHDFHYULHSGL-QRQCRPRQSA-N 457.568 2.573 30 10 JFEE O=C(O)c1ccccc1C=Nn1c(SCCCO)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 2325923519 DVLWHGTWVLBLPD-IBGZPJMESA-N 479.562 2.849 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1c(F)cccc1Cl 2330748048 WHOWDNHCMZJSQC-UHFFFAOYSA-N 467.939 2.776 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2359278385 PDJHLEUKWGQBBS-DJIMGWMZSA-N 480.436 2.750 30 10 JFEE C[C@@H](NC(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2359389400 TXBAXJAGQJBNQE-ILXRZTDVSA-N 481.424 2.549 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]1 2362167129 HQBKXCMBDYBSTK-IBGZPJMESA-N 461.412 2.939 30 10 JFEE CCCCNC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCCc2ccccc2)CC1 21047049 CGDAJDLGXDZIHP-UHFFFAOYSA-N 465.598 2.739 30 10 JFEE CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3OC)n2)s1 59018932 IFSPPUDIJQNGOD-CAOOACKPSA-N 450.575 2.954 30 10 JFEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@H]1c1c[nH]c2ccccc12 72472544 QSGPDJHITKVDJL-MGPUTAFESA-N 468.473 2.620 30 10 JFEE CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)NCCc3ccccc3)CC(=O)N2CC(=O)OC)cc1 100213384 SCLRAEIAEJGGEC-PCCZYRSZSA-N 497.573 2.717 30 10 JFEE O=C(O)CN1C(=O)C(=O)/C(=C(\O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1 103122497 QQVHECAMECXVMV-SCDSTIRESA-N 461.224 2.864 30 10 JFEE COc1ccc(C=NOCc2nc3c4c(C)c(C)n(CCN(C)C)c4ncn3n2)cc1OC 254700123 DLTOSUKCOVYFRY-UHFFFAOYSA-N 451.531 2.825 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c1 515563158 ZHQOYWSJMYUBBY-UHFFFAOYSA-N 455.580 2.505 30 10 JFEE COc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCOCC3)C2=O)c(OC)c1 526695195 TUBMPVOMMFTIJO-UHFFFAOYSA-N 480.546 2.797 30 10 JFEE COc1ccc(I)c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609256247 ZAMWVPSRXSGNJB-UHFFFAOYSA-N 453.211 2.565 30 10 JFEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 704373284 MSBIDKNLHXFBCW-UHFFFAOYSA-N 490.774 2.677 30 10 JFEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccc1 729668397 HYNWPZUJWXQAKA-UHFFFAOYSA-N 456.571 2.918 30 10 JFEE CC(C)n1cc(C=NNc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)n2N)cn1 1083915686 SSJOQRPMXRXNFZ-GOSISDBHSA-N 453.576 2.501 30 10 JFEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)cc1 1084510248 PIQRITMIJIMSQO-UHFFFAOYSA-N 454.560 2.633 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1154116648 IDLDLAVMGNUTQQ-PMACEKPBSA-N 456.543 2.586 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](c2ccco2)N(C)C)CC1 1286484611 SVVSLOOTFQFVEW-FQEVSTJZSA-N 452.534 2.647 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccnc(OC(F)F)c2)CC1 1286489724 DSYAJMYLDUIRIJ-UHFFFAOYSA-N 496.518 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCC[C@@H](C)C2)CC1 1286494835 TXZOHMRWJXRPQV-JOCHJYFZSA-N 478.641 2.597 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286505658 IPFUVXDUQJJIKW-UHFFFAOYSA-N 494.596 2.916 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286505719 KYFFLDUNJUTYNL-UHFFFAOYSA-N 464.570 2.732 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nc(C(C)(C)C)cs2)CC1 1286645605 GFQFYDIRGKSEJE-QGZVFWFLSA-N 494.687 2.764 30 10 JFEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1286678966 HUMJYTCUIKGMIC-BJKOFHAPSA-N 460.582 2.965 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1286772932 GTJGLWANVYSIPS-LJQANCHMSA-N 488.589 2.677 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C2CCC2)CC1 1286784269 ZWXBDJABGAMNHJ-UHFFFAOYSA-N 468.602 2.718 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1286822726 OHLCJXUMOASOAC-UHFFFAOYSA-N 463.648 2.593 30 10 JFEE C#CCN1CCC[C@H]1C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1OC 1290041390 YDAKEIRSNNRDHZ-NRFANRHFSA-N 457.552 2.931 30 10 JFEE CCc1cnc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(c3cc(C#N)ccn3)CC2)s1 1292648452 DOBCBUJTBOIAID-UHFFFAOYSA-N 493.641 2.857 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2Cl)c1 1299950556 DACWINHRSPDLMZ-SFHVURJKSA-N 470.917 2.818 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1300299682 RWKJZRDJYPXDTK-KRWDZBQOSA-N 482.610 2.519 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CCN(C)C(C)C)c1 1300334621 RPBKQQGMFFFPBT-UHFFFAOYSA-N 484.608 2.913 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCCc2cnn(C)n2)c1 1300337354 ZRQFKGJBUCVKSB-UHFFFAOYSA-N 460.586 2.828 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](F)c1ccc(Br)cc1 1300458942 NXCAEDZFDARQNB-GDBMZVCRSA-N 455.353 2.723 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1300483781 NRFIJKZHWYFRSD-IBGZPJMESA-N 460.600 2.643 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300496345 PWPCXCXJDMOUQD-QUCCMNQESA-N 463.003 2.695 30 10 JFEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300743138 ZKUCBXCLVGQJIW-IBGZPJMESA-N 461.657 2.640 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1300756818 UHIRXCQRSOOPJG-SFHVURJKSA-N 460.003 2.737 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300788159 SKZQIHKIJWHWBH-HUJREVKFSA-N 480.569 2.797 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300896898 LFQDMNSFILZJMZ-ZEQKEECESA-N 488.633 2.732 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1301017078 GWKGCKHKUFGDDN-INIZCTEOSA-N 469.011 2.641 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 1301188797 NNRMONFZSNJTMW-UGKGYDQZSA-N 489.642 2.970 30 10 JFEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301190393 QWXCBYPCQZFUQY-OAQYLSRUSA-N 451.619 2.753 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301206679 JIAWIFRNYOTOLL-QUCCMNQESA-N 458.632 2.835 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301347627 YROKSFTXVHMSFT-HXUWFJFHSA-N 454.600 2.758 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCC(=O)N1CCOCC1 1301410312 BSQNOIZRCFBMBS-UHFFFAOYSA-N 450.543 2.726 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1301457845 DKCJVFUZFQMXKN-GOSISDBHSA-N 462.595 2.514 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1301482778 BSOWXQXJRXQJIQ-UHFFFAOYSA-N 488.346 2.925 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1301483241 LMZOURYHINUUQR-QFBILLFUSA-N 470.574 2.605 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301491931 RNVZFTFSNZGOKR-ZHRRBRCNSA-N 490.402 2.784 30 10 JFEE C=CCC1(O)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 1303787957 JTGFEBACYOOHMP-UHFFFAOYSA-N 458.536 2.802 30 10 JFEE CC[C@@H](C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1305311742 ATHRFLFQZNPTEI-ZBLYBZFDSA-N 493.656 2.895 30 10 JFEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CCCCC1 1314648120 IAYRIUDSZSAUMZ-FCHUYYIVSA-N 470.643 2.951 30 10 JFEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)cc1C 1352680553 CRHADVPHCHHQOS-UHFFFAOYSA-N 450.520 2.977 30 10 JFEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358916417 KOWQFHFOEBKPMB-HXUWFJFHSA-N 464.570 2.750 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(CN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1358961523 AMZVNPJADSSAJD-QFIPXVFZSA-N 455.628 2.672 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1358963294 FYOOPOAKGTUMHY-NRFANRHFSA-N 466.611 2.727 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccnc1N1CCOCC1 1359005159 XKPVFRPFCJAORJ-UHFFFAOYSA-N 462.554 2.702 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCn2ccnc2C1 1359018705 ZINFKWVRTTXINF-HXUWFJFHSA-N 461.570 2.692 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1359039786 VTXUAFCBRFPMEI-LJQANCHMSA-N 484.601 2.534 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C)cc2OC)CC1 1359044243 AKBJKQXSTFPBHR-NRFANRHFSA-N 451.571 2.851 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)COCC)CC1 1359045983 ZMFCHSVOKBYZOS-QFIPXVFZSA-N 481.597 2.819 30 10 JFEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1359052905 USMVDBRINMOKEY-FQEVSTJZSA-N 452.588 2.539 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1359064675 XZFMCVFASLVITK-UQBPGWFLSA-N 495.653 2.790 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1359069934 BUVGUXLAISBVNJ-LPIHSLMCSA-N 493.674 2.587 30 10 JFEE C=C(C)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125237 UUTOVDSEKJQJIV-KDURUIRLSA-N 476.622 2.604 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359134696 DQCUSBQERVKTCV-JOCHJYFZSA-N 451.575 2.575 30 10 JFEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NC(C)C)CC1 1359178340 PCRMGMZOGQUXRX-UHFFFAOYSA-N 452.607 2.769 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359190121 FPNUDBDOBJEROM-DEOSSOPVSA-N 451.575 2.681 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1359194263 RSYBAJDCYXWSHZ-VXKWHMMOSA-N 450.587 2.942 30 10 JFEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359290584 INCIKVYKSXLXSH-MOPGFXCFSA-N 457.579 2.946 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1359298717 JUXVAWSDMNCNRO-UHFFFAOYSA-N 493.999 2.957 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359303108 DNLCYLQNDKNUCY-UHFFFAOYSA-N 479.585 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359334547 JLCSFASMUMHMSR-WOJBJXKFSA-N 461.632 2.685 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1)C(F)(F)F 1360632081 HWANLNMDMYNIBT-MGPUTAFESA-N 466.533 2.758 30 10 JFEE C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1446244162 FQQVQKYKUFQXJK-XLNZFTOWSA-N 451.608 2.970 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 1450192051 FMYKAUMFOSMQMU-LJQANCHMSA-N 450.557 2.885 30 10 JFEE C#CCOCCN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O 1457393325 HPACYAJNYCABCN-HSZRJFAPSA-N 450.535 2.773 30 10 JFEE C#CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 1471938365 KYTDTQOHSJPTIX-MRXNPFEDSA-N 450.352 2.654 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(COc4ccccc4F)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1492727787 HXCBLNMLIRSFKT-VWLOTQADSA-N 496.591 2.643 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCc2nc(C)no2)c1 1507552114 KKZUEYYWCXPESC-UHFFFAOYSA-N 487.568 2.520 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507555005 CAVWRRQXOSBSSR-HXUWFJFHSA-N 487.626 2.770 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCN1CCN(CC)CC1 1507606346 JBBUHXMIUCQMNY-UHFFFAOYSA-N 475.435 2.813 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1507627573 DVCGWXYHGMLORK-UXHICEINSA-N 497.621 2.634 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCC[C@@H](C)C1 1507704261 VKSRJVIKBNVQPN-QGZVFWFLSA-N 463.424 2.864 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCC2(F)F)CC1 1507725904 CMDBLDPQBCPDLQ-QGZVFWFLSA-N 462.570 2.850 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC[C@H]2C)CC1 1507732461 HDCYOEVEIHDSSM-NJYVYQBISA-N 472.634 2.778 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(C)c2)CC1 1507736219 MLQKJWIMCZTDDO-HHHXNRCGSA-N 479.625 2.836 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OC(C)C)CC1 1507740869 QFSCTCBVTREYCT-UHFFFAOYSA-N 489.624 2.941 30 10 JFEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1507782524 IWRLDDZWOBOJRY-KBPBESRZSA-N 469.409 2.760 30 10 JFEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507789352 BPQAPHJRVFGOPO-GOSISDBHSA-N 487.446 2.761 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507849214 UWXILEPUULILDW-MHECFPHRSA-N 474.606 2.659 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 1507902108 UBAQPTAAWLREDH-UHFFFAOYSA-N 450.008 2.960 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507913066 VOKNXKPFQWSZIW-SFHVURJKSA-N 488.658 2.855 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1508142360 CBURRWMWSDWZCL-IRLDBZIGSA-N 474.627 2.678 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1508167285 HFYJPJSTQYAMAH-DEOSSOPVSA-N 487.626 2.517 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CC1 1514234608 AEFNINDJFRUFOX-UHFFFAOYSA-N 476.585 2.593 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccccc1OCC 1516591621 CVXLNAMSOJTDAH-SFHVURJKSA-N 462.558 2.638 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N=c2ccn(C)c(O)n2)ccc1Cl 1537832511 LOUSOQZVPMVXSJ-UHFFFAOYSA-N 458.927 2.902 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539139711 MXZBQGDFEPXEIC-VWLOTQADSA-N 453.587 2.970 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539212140 SIRYGXCCUZZTGG-ISKFKSNPSA-N 494.665 2.811 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539212658 WZIXRWKBAVUCAF-JTAQYXEDSA-N 480.638 2.564 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1539215404 BGJMQXQLKUDMLK-IBGZPJMESA-N 453.543 2.771 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539229920 JLCHADMDUBFYSK-QUCCMNQESA-N 476.986 2.830 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1539466754 FPSVNXNAPPOBOJ-REWPJTCUSA-N 492.624 2.664 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1539497799 PBVRTJODJYVVBE-KGLIPLIRSA-N 457.572 2.730 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539526799 PTEVSVOCBHOUQP-RBUKOAKNSA-N 469.611 2.679 30 10 JFEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1539759440 HYHBZLSKGZBDQT-FQEVSTJZSA-N 457.600 2.631 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1539875437 XQVNGWRSMZBQQV-LLVKDONJSA-N 495.959 2.745 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1540916841 HXSSVYYBWQLMAN-LJQANCHMSA-N 461.657 2.734 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCc1ccccn1 1541659769 HPFAJRCAALZFJI-UHFFFAOYSA-N 459.554 2.973 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548396248 RLOXVASBXAOSFA-RBUKOAKNSA-N 488.514 2.661 30 10 JFEE CN(CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](C)(C#N)C1)CC(F)(F)F 1554290806 DJJHFRCCWWPCTA-HXUWFJFHSA-N 498.579 2.862 30 10 JFEE COCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555296745 CLQNIRIKBPZBNB-AWEZNQCLSA-N 482.404 2.941 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCn2cc(Br)cn2)cc1 1555988585 HZTCCUFUWOAMEB-MRXNPFEDSA-N 483.374 2.568 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 1561590359 KNOHXABCEHAUEN-IIBYNOLFSA-N 459.543 2.772 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1 1568983369 DOZWOLYFKMLRGA-ROUUACIJSA-N 452.548 2.903 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)n1 1586564529 DQPASXNHCUQWLG-NRFANRHFSA-N 458.534 2.939 30 10 JFEE COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC2CCCC2)c1 1587466252 GQELAZLIZNMACX-MRXNPFEDSA-N 457.552 2.871 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1587620365 CNEMDRNNFKITFE-QZTJIDSGSA-N 482.610 2.661 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1587884180 TVSSBJIUQMWCIV-HSZRJFAPSA-N 464.614 2.630 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588059506 PAFHKDBFFPXRDS-BWAGFHJFSA-N 458.628 2.865 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588166435 GRRCEPSUDKSBDW-HXUWFJFHSA-N 479.478 2.722 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(Cl)c2c(c1)OCCO2 1588262413 DUQZXRZVVARQJA-UHFFFAOYSA-N 452.902 2.858 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(C)c(OC)c1 1588628164 FISNSGCMVNMSFF-UHFFFAOYSA-N 451.527 2.652 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1589109639 IEFVIASSIABKHO-GOSISDBHSA-N 484.655 2.686 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCc1ccc(S(C)(=O)=O)cc1 1589151331 XJWMXYDNJKRDQA-WZONZLPQSA-N 460.600 2.640 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1589708493 OQLXAAIDGBVLLH-QGZVFWFLSA-N 490.561 2.773 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1595266176 BPGGEPWFCCZKSE-UHFFFAOYSA-N 462.664 2.515 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595367057 XWFUCFJUUZEWDY-WIYYLYMNSA-N 468.602 2.527 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1595530065 RJIZZEIFMZQQNE-UHFFFAOYSA-N 459.476 2.921 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)[C@H]4CCCN4C)CC3)nnc2C(C)(C)C)cc1 1595639693 HHXYZGJLRFFYKD-JOCHJYFZSA-N 466.630 2.932 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(=O)N(C)C)C1 1595699875 IMCAGDDYZKQLNT-MRXNPFEDSA-N 478.391 2.976 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1595871674 WEZXBFHCILGQFT-GOSISDBHSA-N 454.600 2.972 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C 1618535179 HOQSNNWHVNJDHP-JXFKEZNVSA-N 451.600 2.999 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1618829241 FMCGKQJEGFKMKA-SFTDATJTSA-N 451.575 2.729 30 10 JFEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)c1 1618838005 IDOPFYODJKBZMT-FQEVSTJZSA-N 458.588 2.606 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(O[C@H]2CCOC2)CC1 1637677794 FPZRHOZMYDKFFX-INIZCTEOSA-N 453.333 2.895 30 10 JFEE N#Cc1cc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCOCC2)ccc1Br 1653549679 DTJBMAXHEPQBPZ-LJQANCHMSA-N 450.358 2.673 30 10 JFEE COc1ccc(NC(=O)CN2CCC(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N(C)C 1660381077 AOAQEURBMBNOJA-UHFFFAOYSA-N 456.568 2.635 30 10 JFEE N#C[C@H]1CN(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CCN1Cc1ccccc1 1681342764 GZBGVNWMAMIBLJ-BJKOFHAPSA-N 451.546 2.619 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 1682281196 BYNPNNZIRRYDDG-WOJBJXKFSA-N 453.008 2.551 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(COC)cc1 1689845730 AOISWSQPTOHKMD-KRWDZBQOSA-N 452.584 2.891 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689978277 RCOVYMMOEMNWDV-WSTZPKSXSA-N 463.648 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ncccc2N(C)C)CC1 1690148246 AADXNLQYLGIZAD-UHFFFAOYSA-N 493.562 2.622 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690236328 LJGSLAUDOKURGA-RHSMWYFYSA-N 467.496 2.633 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1690352677 LAZWGUCPUHCDQS-HKUYNNGSSA-N 472.977 2.849 30 10 JFEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690465865 PRDPZLYCWSZRFK-NRFANRHFSA-N 451.619 2.753 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1Cl 1690523579 GKHNZBOQULOUNZ-UHFFFAOYSA-N 461.979 2.988 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(Cc1ccco1)C(C)C 1690669240 YYASWFAOGUHVIT-UHFFFAOYSA-N 471.587 2.548 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C)(C)CC1 1690674805 GDBLQTRVCUVJHL-UHFFFAOYSA-N 465.646 2.571 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690737074 YRGHWJHXGSPXEQ-IEBWSBKVSA-N 461.657 2.941 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690742066 FQVWYBSAFJRCMI-QAPCUYQASA-N 463.629 2.749 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1690742113 GTTPCFZMDNQSFH-IRXDYDNUSA-N 464.636 2.890 30 10 JFEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2cccc(C(F)(F)F)n2)n1 1693199740 FCTCCIKFMZOBBI-OAHLLOKOSA-N 459.432 2.870 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705526686 OCWOVWJHIGKWRP-UHFFFAOYSA-N 477.569 2.809 30 10 JFEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705533001 TUALGQPUVHXCKY-UHFFFAOYSA-N 458.570 2.601 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705564591 CQRXFBWBVVZWIB-RBUKOAKNSA-N 460.625 2.509 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705566322 MLGSSWLOBUADBO-TZIWHRDSSA-N 458.584 2.616 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(SC)cc2)CC1 1705632557 UALNBDNBJSFECY-UHFFFAOYSA-N 461.595 2.645 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1705655919 RCGFFFFDZIVLPU-UTKZUKDTSA-N 489.667 2.566 30 10 JFEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705687234 AVJGHBDCGOBOLX-QGZVFWFLSA-N 467.456 2.908 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1705730336 HOYBKIOKCCCSKQ-UHFFFAOYSA-N 465.558 2.672 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705731146 SIUOYOVLJBXPMQ-IBGZPJMESA-N 492.466 2.845 30 10 JFEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCCOC)CC1 1705777177 YVKOIEZLJIJCDM-UHFFFAOYSA-N 462.620 2.612 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1705796115 ZNBSPYGUSSTABQ-VQTJNVASSA-N 480.594 2.909 30 10 JFEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705820929 DUBXMQQZADKAMQ-UHFFFAOYSA-N 452.650 2.850 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705825361 RJJDOFWZNKXJGS-XMMPIXPASA-N 468.558 2.771 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1)C1CC1 1705849059 BEAPIDLVAUIRLS-GOSISDBHSA-N 482.720 2.795 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1)C1CC1 1705854124 NBDJVFOLBXALJB-LJQANCHMSA-N 472.594 2.503 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705888545 FGBWOEBGBBTKCU-GOSISDBHSA-N 465.558 2.936 30 10 JFEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705889191 VLDKFPWFECYSFC-IBGZPJMESA-N 470.599 2.556 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(CO)c1 1706996771 BKFYFHFEEDUIPO-MRXNPFEDSA-N 467.599 2.683 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC1(C)C 1708751154 AHWAGIZHTVGLQH-SFHVURJKSA-N 450.591 2.836 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)cc1OC 1709859504 FAIZPGDCKALZKK-CYFREDJKSA-N 486.642 2.909 30 10 JFEE CS[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)(C)C 1712743126 HVYBAWHYIZSBEU-SFHVURJKSA-N 462.645 2.676 30 10 JFEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722337492 BQMHANCGSAFDSW-HXUWFJFHSA-N 457.600 2.583 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(=O)NC)c1 1722357436 CVYKWSICHHOASL-KDURUIRLSA-N 452.559 2.526 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722361211 XYHVCLVMFIERSS-QGZVFWFLSA-N 493.420 2.969 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1722361693 OJTJEWRRYVJXKE-NRFANRHFSA-N 463.563 2.580 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722369456 ZOJCXPSNQSUXLF-FQEVSTJZSA-N 465.579 2.744 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1722482454 ATTKSZFXUZMKJB-INIZCTEOSA-N 493.793 2.754 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722494831 SLWSNKZEUYFKOS-HKUYNNGSSA-N 488.662 2.528 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722503628 WYUXOCLFMGODEQ-MSYCTHLASA-N 490.626 2.860 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722531579 QICBOSVNIISXMZ-UHFFFAOYSA-N 479.560 2.833 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722531635 VHBDSBVTXOAGHX-HXUWFJFHSA-N 491.539 2.967 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCS(C)(=O)=O)CC1 1722566121 KEYJRVVXHSSQNR-IBGZPJMESA-N 497.662 2.610 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)CC1 1722577248 BJPHRAXIPTUTOO-GOSISDBHSA-N 456.595 2.972 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1722656044 PJCCIFBFBFPQHN-ICSRJNTNSA-N 459.616 2.898 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722665282 LYHLADUDBRABAK-QFIPXVFZSA-N 450.587 2.594 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(C2CCCC2)CC1 1722693058 CHQOKPSRYINKFB-UHFFFAOYSA-N 498.628 2.728 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC(C)C)C1 1722698737 LEPHSQQWOVLWKX-RTBURBONSA-N 476.622 2.761 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1722700428 JHNBZTCUUZYRAE-CDAMAVENSA-N 491.621 2.754 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1722700733 SCUGECMQNXNUBS-FQEVSTJZSA-N 452.946 2.797 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1740673882 LJHZJFAJYKXPJV-XMMPIXPASA-N 461.614 2.981 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCN(CCC)C2)CC1 1740695679 ATVTYAJNVIEFBZ-QFIPXVFZSA-N 499.704 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740754352 FAAJAUILSWFVJI-SFTDATJTSA-N 459.616 2.570 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1 1740757537 WHXBFULEQPLZOA-KXBFYZLASA-N 466.991 2.823 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1740858809 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DPWFHKRCNRKRAB-SFHVURJKSA-N 495.646 2.568 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740995427 LLIZJXYRECMMAM-AOMKIAJQSA-N 462.620 2.537 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1740997267 QETJTHRTSAODQG-UHFFFAOYSA-N 453.410 2.634 30 10 JFEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C[C@@H](C)O1 1742962031 GPIKTLQQBPYMNF-MIVVTYSHSA-N 452.559 2.634 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1743886857 FWGHQOAOFNNEDM-IBGZPJMESA-N 492.628 2.848 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOc1ccccc1 1744086198 DHNQNRBBXZETPQ-UHFFFAOYSA-N 488.596 2.869 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1746334756 DAQKUNAYTFEMCQ-RTBURBONSA-N 488.658 2.575 30 10 JFEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cnccn2)CCCC1 1747523453 BIYFBFWDAYRJII-UHFFFAOYSA-N 458.570 2.934 30 10 JFEE CN(C)S(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 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C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCCCC1 1748950346 JPNSPJUPGGGCFN-UHFFFAOYSA-N 477.407 2.535 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748953276 JBKAWNQPZBGNDT-GOTSBHOMSA-N 485.654 2.798 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 1749003895 YSRKSGOZILNAGZ-CPJSRVTESA-N 489.686 2.816 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1749010566 NHHZGBTZHAAFQA-UHFFFAOYSA-N 457.582 2.729 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1749067935 YSGRVXMJXMBLAG-KPZWWZAWSA-N 490.939 2.626 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749119537 UBFOXFMJYMHCCJ-UEXGIBASSA-N 493.605 2.620 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749133542 MWXGUIJGTZPPKW-SEDAZVQISA-N 454.619 2.791 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cn3cccn3)cc2)CC1 1749329789 RRQQYRRDYKGFRV-GOSISDBHSA-N 469.615 2.584 30 10 JFEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749471865 UZGVAJDTNQGOGI-CYBMUJFWSA-N 472.384 2.750 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC1CC1)C1CC1 1749519672 PFYMEZCORQTBKB-LJQANCHMSA-N 495.646 2.566 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749650848 IGEOJCZCXJZCFL-HKUYNNGSSA-N 472.565 2.600 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)OC)C1 1749680690 NZBSVRXXFCIYND-CQSZACIVSA-N 482.368 2.856 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C1 1749693745 MPVZWFLPXQEUKT-LJQANCHMSA-N 474.606 2.765 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2oc(CC)nc2C)C1 1749717343 JMHUVCOJKTVTRB-INIZCTEOSA-N 456.572 2.958 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749724884 OJSFQVMMRVMQNH-QGZVFWFLSA-N 463.585 2.790 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1749744963 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C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc2ccccc2s1 1539498862 XHKDNZKEDAOPOP-AWEZNQCLSA-N 464.642 2.501 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1539520062 LMOWBKJFQRATLY-UHFFFAOYSA-N 452.628 2.859 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1540121348 RMKBOMBRNPYDJM-SFHVURJKSA-N 471.558 2.964 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1540862207 VGUBYUWDUASOTJ-RUZDIDTESA-N 466.586 2.525 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)CN2CCOCC2)C1 1540884884 WWXLMSYSUKPOIP-SJLPKXTDSA-N 479.423 2.785 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)c(OC)c(OC)c2)C1 1540890164 AWTZZKIRQCHZNC-DOTOQJQBSA-N 461.950 2.729 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[C@H]21 1540898482 LYUXNNOSQCAJQR-DZGCQCFKSA-N 454.394 2.636 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccsc2)CC1 1540905628 YBXDBOQVQFINHV-UHFFFAOYSA-N 477.681 2.915 30 10 JFEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)N1CCCCC1 1541242489 IBVQNRDHXBOLCD-UHFFFAOYSA-N 456.616 2.562 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC)N1CCOCC1 1545807299 FUYGAVRLBNRZCB-DHIUTWEWSA-N 479.629 2.669 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548396147 LVEMJPWRCHVMTG-RBUKOAKNSA-N 486.498 2.718 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@@H]2COC[C@@H]2O)ccc1Cl 1557856628 JGRUBUOFXVSILX-AEFFLSMTSA-N 471.362 2.864 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cc1 1568421163 FFQKGNQOZCLBLO-UHFFFAOYSA-N 456.955 2.828 30 10 JFEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ncc4c(c3C#N)COCC4)cc2)C1 1585440365 DCWDYZYTQHZRTE-HZPDHXFCSA-N 454.552 2.945 30 10 JFEE C#C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1586104440 SHQHHNUOKGHQPM-NRFANRHFSA-N 455.555 2.965 30 10 JFEE C#CCN(C(=O)c1coc(S(=O)(=O)NC)c1)[C@H]1CCOc2ccc(Br)cc21 1586216865 SHFMWMLIZZMEIE-HNNXBMFYSA-N 453.314 2.549 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C(C)C)c1 1587697291 MMTVMJBNQIXKBO-RUZDIDTESA-N 494.621 2.733 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(N(C)C)CCSC1 1587984817 LYEPONFIEWRRAT-WZONZLPQSA-N 462.664 2.899 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588044904 CNWBGWMJDDBJDD-GSHUGGBRSA-N 463.003 2.776 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588045936 UFBLWNNFVBAUKE-GPJFCIFZSA-N 473.643 2.894 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1588049209 CBFNUOGCQIPHBC-SFHVURJKSA-N 459.934 2.808 30 10 JFEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1588058973 GTQOYHZVVCKAKO-VQIMIIECSA-N 476.624 2.559 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCN(C(C)C)CC1 1588082862 AXWXEJWXBGQDBP-HXUWFJFHSA-N 453.562 2.865 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1588113380 KNGYTVNJCSMIDF-UHFFFAOYSA-N 470.595 2.781 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(Cl)cn1 1588276355 MDUKNPPNFSHFSZ-UHFFFAOYSA-N 460.995 2.556 30 10 JFEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 1588432574 BYBGIGFRHWPNOL-DEOSSOPVSA-N 455.628 2.567 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nc(C(C)C)cs2)CC1 1588884967 PWKPTNALWNSIGM-UHFFFAOYSA-N 485.658 2.791 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1588961937 QCKSIXRAFGGDGL-KDYSTLNUSA-N 479.625 2.991 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1589048204 XWYNXJPBIBMWKP-UHFFFAOYSA-N 479.585 2.773 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1589494180 KPBFTGOXIYITAP-APWZRJJASA-N 477.407 2.696 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1589652055 NWSSFPZPMLNWJC-IBGZPJMESA-N 463.586 2.992 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1589721846 FDCPDPRCZXBDKM-LJQANCHMSA-N 497.568 2.753 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCN(C(C)=O)CC2)C1 1595700496 OQGQMLPMGRWSJD-IBGZPJMESA-N 476.984 2.683 30 10 JFEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1611642855 GQHOCGNHUSJLCD-UHFFFAOYSA-N 499.566 2.802 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1614348861 DBDCPBZZEBTSSR-SFHVURJKSA-N 467.574 2.648 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN(C)Cc2ccco2)c1 1617959142 XIAISAYSZGBHMG-UHFFFAOYSA-N 451.548 2.753 30 10 JFEE COCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1619777943 GDAKNIZCOLRCOD-SANMLTNESA-N 476.581 2.971 30 10 JFEE C=CC[C@@H]1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 1620451964 SFKUSSNWPHLKHX-MXDDHBLUSA-N 459.593 2.631 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1 1622886680 PGJJGWPITXDASU-UHFFFAOYSA-N 454.552 2.512 30 10 JFEE C=CCN(C)CCN(CC)C(=O)c1cc(I)ccc1N1CCOCC1 1626751206 YEIDVIWTRKUBNZ-UHFFFAOYSA-N 457.356 2.708 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1634999259 YOZSUTOPYMBQED-GOSISDBHSA-N 459.546 2.902 30 10 JFEE C#CC[C@@]1(C(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)CCCN1C(=O)OC(C)(C)C 1642320927 JQFLCJQALSLVDI-FQEVSTJZSA-N 454.449 2.992 30 10 JFEE C#CCN(C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454718 NKIATDWBVQBFIO-INIZCTEOSA-N 452.548 2.849 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](N3CCOCC3)C2)n(Cc2ccc(F)cc2)c1C 1645749058 BFHIZXCZBLDKTQ-JOCHJYFZSA-N 453.562 2.899 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)COC)c1 1648746604 FSEYOQBWHRAJPE-OAQYLSRUSA-N 452.960 2.849 30 10 JFEE COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1 1665032427 FLIWYYNBDXHHIN-UHFFFAOYSA-N 453.442 2.875 30 10 JFEE C#CCN(C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 1686977904 LNPUCXYZJDRETQ-LXZKKBNFSA-N 455.374 2.883 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1689912954 DNLKEKOXPUPIFY-WIYYLYMNSA-N 455.534 2.798 30 10 JFEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1690122651 XZFRZQJDZNTNKY-UHFFFAOYSA-N 450.631 2.874 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)C(C)C)CC1 1690154652 VSARWNJITDOGTE-VWLOTQADSA-N 485.654 2.952 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690184684 NFJSVJSFCDHOST-IBGZPJMESA-N 466.604 2.766 30 10 JFEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690281321 JZDKSORRYZRHNL-UHFFFAOYSA-N 450.587 2.770 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)OC(C)(C)C2)cc1 1690678952 GNKMGCMNTLZNAC-DLBZAZTESA-N 463.604 2.505 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(=O)NC(C)C 1690717536 JEWXXSCZXDBYOY-UHFFFAOYSA-N 479.672 2.837 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690726580 FFLHRLJXKIVFKN-WOJBJXKFSA-N 470.643 2.801 30 10 JFEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)F)CC1 1690740482 XCSHZIKZWGLDCO-UHFFFAOYSA-N 485.630 2.545 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[C@H]1CCCCO1 1692535835 FJSIAWGMVGXDPF-LJQANCHMSA-N 469.565 2.713 30 10 JFEE Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)N2CCOCC2)cc1 1693029173 GJNHXVZLTJMDNI-JOCHJYFZSA-N 465.602 2.538 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC3(N(C)C)CCCC3)CC2)c1C#N 1693406033 HJKSNKHDRPJNDX-UHFFFAOYSA-N 467.666 2.981 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCC2)CC1 1695643529 AYGLWDZQLZRPGF-UHFFFAOYSA-N 479.629 2.624 30 10 JFEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1695840027 BYDFGTBTFLBVHX-RTWAWAEBSA-N 456.616 2.705 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(F)(F)F)cs1 1696824528 CHHMYUAWSCRVMA-UHFFFAOYSA-N 499.544 2.520 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC2(O)CCOCC2)c1 1698484138 FLSQDLDKBWOBKD-SFHVURJKSA-N 465.476 2.906 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)c1 1705505574 QJCIMPRGOIAKLD-UHFFFAOYSA-N 492.605 2.754 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC2([S@@](C)=O)CC2)c1 1705507414 AOKSAKSKCLDIGW-MGBGTMOVSA-N 482.635 2.601 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705563805 FZAOTHLVQBKSJW-IBGZPJMESA-N 484.601 2.576 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705567049 SSRQOSUJGFBGEG-FCHUYYIVSA-N 486.638 2.966 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1705568893 XBIVHZIXIHTNQI-GBXCKJPGSA-N 472.611 2.670 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1705570101 MOYBTKPQRUEDII-DEOSSOPVSA-N 483.682 2.812 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1705570697 SSIYAYOZCQLCMX-GOSISDBHSA-N 493.427 2.607 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC1(S(C)(=O)=O)CCC1 1705575241 ZMZNUOWOPCNDAJ-UHFFFAOYSA-N 461.385 2.748 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1705577666 OUFFSYLYWXEVHP-GOSISDBHSA-N 490.427 2.513 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H](OC)C(F)(F)F 1705583053 PGUWTDHBALUMFQ-SJORKVTESA-N 485.507 2.627 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1705637274 PJRUVRWNAIRBMK-IBGZPJMESA-N 463.586 2.827 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1705641025 NNXBOHJXKZLXDO-HXUWFJFHSA-N 467.618 2.665 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2COCC)CC1 1705653135 ZUEKOQGTTPDZPH-JOCHJYFZSA-N 451.571 2.680 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705656063 PZGOCZHVDRINKR-AWEZNQCLSA-N 457.021 2.843 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705708476 CSRRNGHENNUUKV-DENIHFKCSA-N 457.575 2.968 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705732848 DLJWELYTKLBTLF-QGZVFWFLSA-N 453.996 2.990 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705902892 LSNYYJJAZITEQS-AZUAARDMSA-N 452.607 2.769 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705903786 UKOUJIHEACKVST-MSOLQXFVSA-N 466.369 2.938 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCOCC2)C1 1705906998 XBTQMLWADXVKLO-UHFFFAOYSA-N 496.395 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCO[C@@H](C)C1 1705930078 DVCWFDPWXRHESO-IRXDYDNUSA-N 452.552 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1N1CCCC1 1705932216 PFCIYJFFSIDKMS-UHFFFAOYSA-N 469.615 2.516 30 10 JFEE C=CCSCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705948800 FRDDUWBYSXKXLU-PKTZIBPZSA-N 465.664 2.539 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1706743507 CDQXHGUDTKHQGG-INIZCTEOSA-N 453.572 2.596 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CC)N1CCCC1 1722276567 FBICGTHWDVUUOE-MJGOQNOKSA-N 457.648 2.879 30 10 JFEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2c(CC)cccc12)[C@@H]1CCS(=O)(=O)C1 1722371844 YXFNNRHLTYYPTI-HXUWFJFHSA-N 469.611 2.728 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCN(C(C)=O)CC1 1722384674 XEDQHTBBOLGYEO-JOCHJYFZSA-N 482.629 2.724 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1722388442 XVSXCYFTLLXKNT-UXHICEINSA-N 469.586 2.966 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCN2CCC(C)CC2)CC1 1722433473 WKRQYUUCZHBYMF-SANMLTNESA-N 472.678 2.586 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1722440272 BNOZEOQDYZOFDM-KRWDZBQOSA-N 460.623 2.797 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722445291 OMMGDSVHPFNGBP-QHCPKHFHSA-N 478.641 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)CN(C)C)CC1 1722447201 JBOHUAKUWPTBEJ-UHFFFAOYSA-N 454.594 2.562 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCCC)CC1 1722462122 JFFMHWLFUYAIJW-UHFFFAOYSA-N 465.627 2.626 30 10 JFEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722462201 SXVAXAUNWZCSPM-NQIIRXRSSA-N 469.611 2.850 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722469260 XTIWNRNKKWOBDG-RRJCBXKSSA-N 459.635 2.810 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC 1722506341 FANLXSONAODWJQ-URVUXULASA-N 474.627 2.849 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722510406 RTBIAWCLQVDUNC-PXNSSMCTSA-N 450.630 2.925 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722524231 VQSDBAQCNALFIK-RTBURBONSA-N 476.622 2.904 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC(C)C)CC1 1722566096 JLMXIRLHIXIJNH-OAQYLSRUSA-N 475.615 2.603 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1722644750 MZPADXKUBKCWND-INIZCTEOSA-N 453.609 2.940 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1722665402 CDRQRCMYLVWUDI-UHFFFAOYSA-N 466.991 2.725 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1722690097 FQCFJOSZYRBSPP-SFHVURJKSA-N 456.566 2.514 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)C)CC1 1722723646 BIEKXLJTSQUGKG-UHFFFAOYSA-N 485.452 2.557 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722731669 BPZQLTSOPRWYEF-UHFFFAOYSA-N 457.604 2.539 30 10 JFEE CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1723000142 GTVPOECBRAWUFV-JOCHJYFZSA-N 451.619 2.584 30 10 JFEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1723489696 HCLYBSBEHCKSEF-NRFANRHFSA-N 457.600 2.893 30 10 JFEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1723697193 HZQWSUJMUCDMHL-UHFFFAOYSA-N 464.574 2.884 30 10 JFEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C(=O)OC(C)(C)C 1729534787 AUQGSHMONMDONZ-IBGZPJMESA-N 497.600 2.687 30 10 JFEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1730323923 GMSZVVYKYSOCCG-NRFANRHFSA-N 459.572 2.573 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N(C)C)CCOCC1 1740536207 AQOLXZPMWBKGCJ-QGZVFWFLSA-N 457.575 2.540 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(F)c(Cl)c1 1740629308 IVXVLKSKQJPBPR-UHFFFAOYSA-N 452.877 2.870 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)cc1 1740640297 KBOJTQBGSBKMEH-NRFANRHFSA-N 465.554 2.716 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN(C)C(C)C 1740653146 BOYMDIIRFXYSRF-UHFFFAOYSA-N 459.598 2.868 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COc2ccccc2O1 1740658499 MQNLXRCNWZLNHC-GOSISDBHSA-N 461.547 2.573 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC[S@](=O)CC 1740676460 DFFODLYWADCTCF-JGCGQSQUSA-N 457.531 2.553 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1740677729 ZWETVQJYTFSEPY-AZUAARDMSA-N 460.575 2.774 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1nnc(C)s1 1740687359 AOPQJSYHWROGRP-CALCHBBNSA-N 475.619 2.537 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1740700272 MPNAEZSSNYERBW-HSZRJFAPSA-N 480.657 2.989 30 10 JFEE C#CCSCCn1c(N(C)Cc2cnn(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740723480 SEXKEQKOECTEGW-HDICACEKSA-N 459.620 2.785 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740738212 DVNPUQIVYQOWGS-MRXNPFEDSA-N 470.412 2.892 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1740751711 NZFBENOKVCPIAS-LMQGHGSNSA-N 475.615 2.917 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 1740793858 WLKREHLSOCXJFM-FQEVSTJZSA-N 489.621 2.939 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC2CC2)CC1 1740826407 JKWLJBRQIMQMGC-IBGZPJMESA-N 495.646 2.568 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740965890 UOBZGEYGDUAWJO-MSOLQXFVSA-N 475.018 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1740986051 QYIOHMPMMZUPBO-UHFFFAOYSA-N 463.579 2.671 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1740987755 YOETXPNHZMQMET-HUUCEWRRSA-N 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C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 596485852 SUWXZAXPOVXLMB-NRFANRHFSA-N 472.563 2.801 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@H](C)[C@@H]1C(=O)O 757299627 PXXLKJDTXNZZLK-UZFJHSOTSA-N 462.502 2.618 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc2C1=O 921198435 OZVFGEHDLBVWRY-UHFFFAOYSA-N 480.480 2.609 30 10 JFEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCC(=O)Nc3nccs3)C(=O)[C@]12C 1075952351 OCSDXIPJQNXGTR-JOPVOSQUSA-N 497.529 2.644 30 10 JFEE CC1(C)O[C@@H]2CC(=O)OC[C@]23C1=C(O)C(=O)[C@@]1(C)[C@@H]3CC[C@]2(C)[C@@H](c3ccoc3)OC(=O)[C@@H]3O[C@]312 1076447985 SNGHLUWTFLYPMT-FXSKYADNSA-N 484.501 2.943 30 10 JFEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)cc1 1083935501 QEDIKJZFISMCQL-UHFFFAOYSA-N 473.603 2.555 30 10 JFEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC)[C@@H]1CCCO1 1197589172 LLRJWOLGQQQDCD-RXVVDRJESA-N 450.605 2.866 30 10 JFEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(Br)cnc2Br)c1 1264841362 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2.649 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1286387995 JWYTVVSYGIFWGJ-HXUWFJFHSA-N 490.029 2.532 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286388142 LKGSJDHHYMYTTI-NHCUHLMSSA-N 485.585 2.915 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286388831 VUXSGTLPKCWVDK-WOJBJXKFSA-N 487.626 2.875 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)c(F)c1 1286413736 NHWQZAVMDKORGO-UHFFFAOYSA-N 459.529 2.721 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)n1 1286472165 VTTZEJOFHHMRCD-URXFXBBRSA-N 473.581 2.851 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccnc(OC(F)F)c2)CC1 1286473063 ODNJTRSRJUEWDL-UHFFFAOYSA-N 492.328 2.836 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2cn[nH]c2)CC1 1286489603 YVJAMCXOXXBZTK-UHFFFAOYSA-N 467.961 2.539 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2sccc2Br)CC1 1286495082 RHRZUUNMISTSLG-MRXNPFEDSA-N 478.416 2.968 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286499816 PDXBVVINHCMBTA-GOSISDBHSA-N 469.578 2.560 30 10 JFEE C#CCSCCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286511779 DBCAHUCNZLOIDH-HSZRJFAPSA-N 479.647 2.742 30 10 JFEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOCC1CC1 1286534132 BPKYJHKAGYTERK-UHFFFAOYSA-N 459.352 2.692 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1286672906 RXCILLVPJQHQEZ-NRFANRHFSA-N 488.658 2.540 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1286793740 KZVISGYJKNXHCH-DZRGJMJISA-N 471.577 2.736 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286817590 WJHPIGUYMAPQHO-UHFFFAOYSA-N 483.594 2.800 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1286821829 VUJLJHVTKQJTSX-UHFFFAOYSA-N 480.679 2.678 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC)[C@H](C)C1 1286824184 WRGNVPMOMMSORB-HXUWFJFHSA-N 461.632 2.605 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCCC2)c1 1298096170 AVGKQNZLOXOUOE-UHFFFAOYSA-N 472.615 2.631 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CCC)C2)c1 1300333172 YBZODHBEDCMSFA-HXUWFJFHSA-N 458.570 2.523 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C1CCCC1 1300363194 CKVWEDKVIPAISA-HXUWFJFHSA-N 451.637 2.820 30 10 JFEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300370653 AJAUKQWWEXFCBN-VWNXMTODSA-N 450.631 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2[C@@H]2C[C@H]2CF)CC1 1300711440 BVUVMHAVHLIRBR-AZUAARDMSA-N 452.534 2.644 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1300732167 YKPHWCCEHZFNRX-RUZDIDTESA-N 497.596 2.931 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@H](C2CCC2)C1 1300770165 OQSQYKIRYDXOAO-GOSISDBHSA-N 459.641 2.889 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300892195 QFNXSWZCNJFOJX-ZJSXRUAMSA-N 487.670 2.953 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300974216 GIKSOWRCISYEAE-ZBFHGGJFSA-N 479.379 2.574 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300982448 JDRIHAKUCMPIOW-UHFFFAOYSA-N 461.570 2.667 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1301129062 GFFIPRUVUDKXME-LJQANCHMSA-N 450.509 2.929 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1301137382 PVTRSFRXKIIWEE-LJQANCHMSA-N 488.658 2.843 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)=C(Br)C1 1301566704 BCCGAPJQOIBVLD-UHFFFAOYSA-N 488.452 2.676 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301596006 DVJBQWOSQQAZQZ-INDMIFKZSA-N 497.662 2.653 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 1301767297 PDXAOZLBTJDFKN-UHFFFAOYSA-N 474.396 2.880 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](c1ccco1)N(C)C 1303402253 HGBXWKDKKDMIOW-NRFANRHFSA-N 476.585 2.510 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1303639872 HCZBVVABBSQTIQ-GIVPXCGWSA-N 456.616 2.583 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1)S(C)(=O)=O 1313798805 GISXUBHLLMDKLN-QFIPXVFZSA-N 496.641 2.835 30 10 JFEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1314399404 ABXZGCPKPOMPHX-SZPZYZBQSA-N 495.672 2.896 30 10 JFEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)CC2)c1 1358089159 IAAKVUVROONRBO-HSZRJFAPSA-N 450.514 2.948 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ncc(CC)s2)c1 1358903493 YTIYVAOWSXVPIB-UHFFFAOYSA-N 477.594 2.524 30 10 JFEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCN1CCCO 1358941304 DWFDKZZJDYEUIR-INIZCTEOSA-N 450.356 2.763 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358963386 HBENEQFVRYQWTK-RTWAWAEBSA-N 474.652 2.732 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)OC(C)(C)C 1358977968 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497.571 2.993 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1690063369 ADBCSMGAVPNPBC-KRWDZBQOSA-N 498.575 2.539 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCc2ccc(OC)c(OC)c2)CC1 1690142336 MBXMRICGCKTAGS-UHFFFAOYSA-N 488.592 2.956 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690160144 YJTBDELDWXAMRT-HXUWFJFHSA-N 479.448 2.703 30 10 JFEE C=C(Br)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690233556 KLAXXZUMGMLJTM-RTWAWAEBSA-N 484.439 2.528 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690428644 XITXWFILPTUFKG-KRWDZBQOSA-N 465.558 2.538 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690660470 IFBBWURQWGUAJW-VXKWHMMOSA-N 463.586 2.917 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CC(F)(F)F)CC2)C1 1690696906 LAUUGZNRUWJFCN-QGZVFWFLSA-N 451.497 2.791 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 1690709144 CNTQTTWYNIJMFS-RTWAWAEBSA-N 456.566 2.624 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)cc1 1691003143 CXQSQGHRCYCYJC-HOCLYGCPSA-N 466.405 2.781 30 10 JFEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](COC)C2)C1 1695364027 HZQDKCFYJRFMOZ-IEIRFRATSA-N 468.602 2.701 30 10 JFEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOC[C@@H]2C)cc(OC)c1OC 1697254670 BTEVPHSEZTXRMT-BVZFJXPGSA-N 484.601 2.822 30 10 JFEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1697737319 HEWAFSNXEICHRA-HNNXBMFYSA-N 464.492 2.994 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN(C)C2CCCCC2)c1 1705504022 KRNSSICXJDZBPF-UHFFFAOYSA-N 491.640 2.835 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705561437 QGVGTZLGBWLOHB-WMZOPIPTSA-N 480.537 2.600 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705562339 ACHPPMQLIIYMDY-NRFANRHFSA-N 467.595 2.583 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(-n2cncn2)nc1 1705597385 DFPUDYZSSXBSCD-UHFFFAOYSA-N 458.476 2.634 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC=CO2)CC1 1705644889 FEYLTFFCLRAWQE-GOSISDBHSA-N 487.402 2.705 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705664732 ZHFVEFVRPZECMU-UHFFFAOYSA-N 466.611 2.790 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](COCCOC)C1 1705721617 MYFUSDMXEITEOC-SFHVURJKSA-N 462.620 2.612 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1705795605 NRIWETAGFMQTKC-FQEVSTJZSA-N 471.627 2.887 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705882684 GRZJANLAQDUQSW-IBGZPJMESA-N 451.575 2.591 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1705883228 AKIQKMXAYMRCTF-UHFFFAOYSA-N 453.547 2.538 30 10 JFEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705888725 QABPEGCWTXGJOI-UHFFFAOYSA-N 470.574 2.503 30 10 JFEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705889654 QYVHQOUWSRTGGN-KDURUIRLSA-N 465.602 2.967 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705907102 ZUWORJUGJZQXQH-GMAHTHKFSA-N 496.656 2.748 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705933808 SHAOCSASUZISSU-AEFFLSMTSA-N 480.034 2.881 30 10 JFEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)C1 1711613731 HTQHWDJUQKHENO-UHFFFAOYSA-N 452.559 2.793 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(F)(F)Br 1722293596 DDVRSXQZGMNMNX-ZDUSSCGKSA-N 454.323 2.898 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722328979 AAMQUYGUXHWHEO-SFHVURJKSA-N 477.569 2.773 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1722351649 ARYXCSNCPACNQR-UHFFFAOYSA-N 473.537 2.595 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722365061 KFBDEJICHXBIRH-WIYYLYMNSA-N 476.046 2.633 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722365335 DFIFZOZXIIBHID-NHCUHLMSSA-N 470.643 2.540 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722366707 JXLJXPIMIHGACG-LADGPHEKSA-N 499.681 2.949 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722367001 LLOKZMWJZGRLCZ-PKOBYXMFSA-N 494.564 2.757 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1722372446 WUZKGNBATBCICL-JOCHJYFZSA-N 498.678 2.678 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722537742 FPDGKPXWMPLBGE-WOJBJXKFSA-N 483.679 2.650 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722592262 WPSRCVZOTVFYPL-FQEVSTJZSA-N 454.623 2.629 30 10 JFEE C=CCCCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1722598637 MCIOLBAXSPMRQI-YADARESESA-N 479.622 2.921 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)cc2)CC1 1722621199 XACSNHHEOVYKMO-UHFFFAOYSA-N 465.533 2.984 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1722676932 PDAACRIDKMNXTK-LJQANCHMSA-N 477.612 2.549 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722705176 BTQJDHLNLAWPRB-KRWDZBQOSA-N 466.508 2.541 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCNC(=O)c2cc[nH]n2)C1 1722710012 BWJPAOFYXLWGFU-QGZVFWFLSA-N 486.374 2.642 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC)[C@H](C)C1 1722728258 UKIPTCSXBTZKTL-GOSISDBHSA-N 470.599 2.731 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1723878370 GTERVZJHTRIUPI-OFNKIYASSA-N 482.629 2.852 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1729728316 GNTIMXJZEWJAAQ-GHTZIAJQSA-N 451.575 2.873 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1730399629 BGHTZTBGLLKURI-XZOQPEGZSA-N 482.629 2.663 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2cnn(CC)c2)c1 1740564787 XMBYXHMDLGHSSU-UHFFFAOYSA-N 454.538 2.585 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740566211 QIOIVBSAGBUFNM-HSZRJFAPSA-N 498.697 2.757 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740617923 YZFYSIJHJQBVAX-YRISNDGFSA-N 476.574 2.609 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740619180 GHYRUUMDZLHFOJ-HKUYNNGSSA-N 494.061 2.964 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C)n1 1740677135 GQNHYHOUCBPRKK-GOSISDBHSA-N 470.574 2.613 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)c1ccccc1 1740685812 MPFNJFWSMZNXMG-QFIPXVFZSA-N 498.628 2.809 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCC(C)CC2)CC1 1740706520 VCYYCVDASCUHIK-HSZRJFAPSA-N 470.662 2.998 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 1740717751 ZWSLFPBFKHRMGV-MBSDFSHPSA-N 477.631 2.570 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCc1c(OC)cc(OC)cc1OC 1740723042 IRGJRESYGCTQBR-XMMPIXPASA-N 455.559 2.677 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1740724832 DRCUKRGPUMBVBF-GRADPPADSA-N 459.635 2.810 30 10 JFEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740746247 GTJDIQDATCPCMN-QGZVFWFLSA-N 461.408 2.862 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740761488 XCKMZLIWUHRCIN-URVUXULASA-N 454.575 2.960 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740789497 FOTQGZXVYFTTAQ-QUCCMNQESA-N 469.586 2.908 30 10 JFEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740870486 PPSWZZWSTKXWIG-WMZHIEFXSA-N 452.603 2.909 30 10 JFEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740870487 PPSWZZWSTKXWIG-XXBNENTESA-N 452.603 2.909 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740884609 GYWLKIPBDSBHQB-LJQANCHMSA-N 472.590 2.971 30 10 JFEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740887713 MGWDYEZMDRFHTA-IBGZPJMESA-N 459.978 2.877 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740958361 NYPZDCWXCSUTRD-MOPGFXCFSA-N 490.649 2.946 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740962262 XKWOSUBHIGSJAY-UHFFFAOYSA-N 494.640 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(O)c1 1740988786 PHIFSVUDSWGTJF-UHFFFAOYSA-N 477.974 2.945 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)c1C 1742033746 HFWUENJNCOEXAD-XMSQKQJNSA-N 460.604 2.714 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1C 1742245224 AWTNGHYCDXNISH-AVRDEDQJSA-N 494.644 2.686 30 10 JFEE CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)CC)cc1OC 1745805455 HAQQCIBDFRFQOV-NRFANRHFSA-N 465.551 2.619 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(NC(C)=O)cc1 1747187759 DPDYMSNZMODEPF-UHFFFAOYSA-N 474.569 2.609 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCCN1CCOCC1 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2.833 30 10 JFEE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC3)CC1 40815219 WRZJXCHXAOKZEO-LYBHJNIJSA-N 458.584 2.693 30 10 JFEE O=C(O)c1cccc(/N=C(/NC[C@H]2CCCO2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 46021809 AUZGIBUCZXPHJZ-OAQYLSRUSA-N 466.538 2.687 30 10 JFEE COc1cccc([C@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC 97553123 JBHVBJHFYHREPH-AXKWSIDASA-N 482.533 2.997 30 10 JFEE COc1ccccc1[C@@H]1/C(=C(/O)c2ccc3c(c2)OCCO3)C(=O)C(=O)N1CCCN1CCOCC1 102733764 UEIGRVBYHQOJOI-QQYUXEJHSA-N 494.544 2.610 30 10 JFEE COc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 104001088 HATWPXDSYJIXIK-VFJWVMJUSA-N 454.498 2.978 30 10 JFEE O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 137192574 XKWQESZAHIIVKY-KLQLYEPUSA-N 464.952 2.980 30 10 JFEE C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccc(N2CCOCC2)cc1 254347452 IWEYKJQVMAYGKH-UHFFFAOYSA-N 474.569 2.603 30 10 JFEE CC(=O)N[C@@H]1[C@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 256023825 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2.990 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1301615814 WYLXSROKQYNZAY-VXKWHMMOSA-N 497.713 2.810 30 10 JFEE C=CCSCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1301623008 JWLPSSPPPWWLMK-UHFFFAOYSA-N 461.657 2.749 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1301649806 AULARYITSXTPFX-GOSISDBHSA-N 463.508 2.615 30 10 JFEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1303278490 GKORGAPUXDRCGI-UHFFFAOYSA-N 466.508 2.963 30 10 JFEE CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1306520563 BMWUNVRIRCAPIL-GBXCKJPGSA-N 452.559 2.515 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN1CCCC1 1313825520 HLCSIDYWPKUIKM-UHFFFAOYSA-N 458.632 2.810 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC)CC1 1358903815 KVTQTQJSIQQPAR-UHFFFAOYSA-N 472.977 2.944 30 10 JFEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1358908630 DWSFGOTXCQUZMX-QGZVFWFLSA-N 460.376 2.852 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCC=C)CC1 1507734803 YPWOICJKFPSOOX-UHFFFAOYSA-N 475.391 2.594 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C)c2)CC1 1507740624 OLLWVWHAJWBLNB-UHFFFAOYSA-N 476.606 2.592 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507965749 JCOMWJMZALZBCP-VAMGGRTRSA-N 460.623 2.830 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1508105433 RNNSMWNUXPKVLY-OAQYLSRUSA-N 454.575 2.984 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508106512 UVCYARAAOOSSSX-HXUWFJFHSA-N 468.602 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1508139612 HWJKCDTUERJCTJ-HNNXBMFYSA-N 475.546 2.943 30 10 JFEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)NCC)CC1 1508158030 IQZDRTSTOUQGFP-UHFFFAOYSA-N 493.475 2.885 30 10 JFEE COCC[C@@](C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1518972401 IECKUNVNTYJCIG-RRPNLBNLSA-N 495.672 2.560 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539211454 LYUZIFQNJURJQO-HSZRJFAPSA-N 480.638 2.565 30 10 JFEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539215753 ICDGRKNQNASTIF-LJQANCHMSA-N 496.637 2.738 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc([C@H](C)O)cc1 1539265661 IQKGEDNEHWDUOQ-FQEVSTJZSA-N 455.566 2.627 30 10 JFEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539415530 FNSPNMOTWBSNMW-UHFFFAOYSA-N 453.631 2.958 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[C@H](O)C2)n1 1539423804 HIAKVKYOGYREMO-FPOVZHCZSA-N 452.559 2.880 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2CCOCC2)CC1 1539436039 HBGAHUUQWQTJCS-UHFFFAOYSA-N 463.413 2.729 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CCCCC2)CC1 1539441066 JWKLWSBNVJKSJM-UHFFFAOYSA-N 453.587 2.803 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1539462459 UWWARENYVHFQDN-OAQYLSRUSA-N 454.594 2.872 30 10 JFEE 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C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1286789960 AQLFQLNDVSFENT-OAQYLSRUSA-N 487.473 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 1286823980 SGHWKDWALLTLMH-IBGZPJMESA-N 473.599 2.619 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286827360 LRMPGPZSUOSYPT-CABCVRRESA-N 452.602 2.851 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCC1(C)C 1288154285 CNQMWRXJPHVVTL-IBGZPJMESA-N 450.591 2.836 30 10 JFEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CCOC1(C)C 1291319560 BMUSFSARGZDAAP-QGZVFWFLSA-N 454.575 2.895 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)cc1OC 1294931640 CMXAVMVZFJVLII-UHFFFAOYSA-N 482.585 2.731 30 10 JFEE C=CCN(C(=O)c1ccnc2c(C(=O)OCC)cnn12)[C@@H](Cc1ccccc1)C(=O)OCC 1296419615 ABQYEWWVQQKZOU-FQEVSTJZSA-N 450.495 2.709 30 10 JFEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CC1 1299163322 CKDRQSIOEFTCGL-YTTGMZPUSA-N 456.616 2.716 30 10 JFEE 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2.985 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1540876581 VVMOLGJASBAHDP-FHWLQOOXSA-N 474.606 2.658 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nc(C(C)(C)C)cs2)C1 1540884501 QASWQIKIXJLTJF-JKSUJKDBSA-N 482.676 2.666 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1540907484 YHKNSZIVEGVFRR-UHFFFAOYSA-N 459.616 2.557 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCC[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1540908829 ORYZOWBYERLONC-KNKQGSTJSA-N 454.637 2.934 30 10 JFEE Cc1nn(-c2ccccc2)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1543002493 CNULAZYWHDZTGU-MHECFPHRSA-N 496.641 2.869 30 10 JFEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)c1=O 1547624399 BMDKHGSJEUFJQE-UHFFFAOYSA-N 473.581 2.741 30 10 JFEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCc1ccccc1 1548372437 FFOMSLOMYADOQE-JOCHJYFZSA-N 488.510 2.990 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)c1 1556078478 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471.608 2.763 30 10 JFEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N5C[C@H](O)C[C@H]5C(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2O 1614465176 YTQVCBMLJUWKIU-IMDBQEHHSA-N 474.598 2.729 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C2CCCC2)CC1 1617334142 GVUNVYLEOKOQAV-UHFFFAOYSA-N 499.685 2.941 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c1 1621094280 VRWJRQUTSMPBJT-LPHOPBHVSA-N 451.589 2.916 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2COCC[C@H]2O)ccc1Cl 1636139415 VGZFALZYSVFTGP-RTBURBONSA-N 450.944 2.601 30 10 JFEE C=CCn1c(SCC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)nnc1-c1ccc(Cl)cc1 1640931912 PHFBBTNYVCAYPZ-XJKSGUPXSA-N 455.005 2.959 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 1641439646 JWYQZOHTVNVDBB-NMEJYPJZSA-N 450.561 2.646 30 10 JFEE C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1642607221 CIHRIYVGBPAAPH-PBHICJAKSA-N 450.381 2.644 30 10 JFEE 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JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC(C)C)CC2)CC1 1690411569 PMWWZADISIBKGI-LJQANCHMSA-N 451.637 2.840 30 10 JFEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1690444618 JZGUAMPTJASOHE-JOCHJYFZSA-N 466.611 2.705 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)c1ccccc1 1690445454 XWJYLYOBKXFECJ-VSKRKVRLSA-N 489.642 2.586 30 10 JFEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690492017 NNUUAGALOLNUDC-NRFANRHFSA-N 493.605 2.593 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1690562956 AZQDIRBCAHJXCG-QGZVFWFLSA-N 470.599 2.996 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1690574290 VKNXENONNHWTSU-CQSZACIVSA-N 477.641 2.900 30 10 JFEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1690669748 NXAGLHWTBXDSNM-HNNXBMFYSA-N 453.572 2.618 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1690705161 BSFXSURMYBNFHW-NFBKMPQASA-N 456.610 2.815 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)C1 1690714535 ODJDQHNMCWYPIB-IYWMVGAKSA-N 466.648 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1690724972 ZXWABZFOJDHRCR-UGKGYDQZSA-N 489.642 2.844 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1C1CC1 1690995245 GFSMCJLQFKADTG-NQIIRXRSSA-N 485.658 2.808 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CC(F)(F)F 1705495112 KPQIAINLMNVNEM-HZPDHXFCSA-N 474.528 2.539 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCO[C@@H]2C2CC2)c1 1705503818 FRELCNSKJHDSPB-ATIYNZHBSA-N 478.597 2.678 30 10 JFEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705520634 AMQHIWQUIQYZIC-REWPJTCUSA-N 453.587 2.826 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705549857 LBAWHVUXZLDHEQ-INIZCTEOSA-N 465.558 2.565 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705563635 BFOYVVRYYTZYGB-SFHLNBCPSA-N 457.600 2.562 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CN(CC(C)C)CCO1 1705606462 SXHXIWHCJKLNSU-SFHVURJKSA-N 463.424 2.862 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705630962 MRNUDVGUOMOBQI-WIOPSUGQSA-N 454.571 2.898 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCN2CCC)CC1 1705632490 RQBCAHLMJJORHF-HSZRJFAPSA-N 498.075 2.881 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCC(=O)N(C)C)CC1 1705632794 BTJMEAAMHZOICH-NRFANRHFSA-N 452.603 2.659 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCSCC=C)CC1 1705638563 OORIPTKSYAPOQC-UHFFFAOYSA-N 477.638 2.910 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2sccc2C)CC1 1705651147 LUIYVLMRMYTOQJ-UHFFFAOYSA-N 496.662 2.848 30 10 JFEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705655662 IQLXRRUVAOPSEZ-UHFFFAOYSA-N 475.622 2.694 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705655718 JNURFLBRKFJTPH-HNNXBMFYSA-N 493.406 2.769 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)COC(=O)N2 1705826731 HWKYFLBVIVQMKH-UHFFFAOYSA-N 465.352 2.707 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705908110 IBUOUARCQUHWIH-UHFFFAOYSA-N 468.627 2.676 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 1705914168 HZDBHYWMKFOWQN-HXUWFJFHSA-N 469.590 2.776 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCOCC2(CC2)C1 1705931543 SMDMLBJLJAEELE-UHFFFAOYSA-N 481.416 2.925 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 1708754074 FEFHTFKKMGBWGR-QFIPXVFZSA-N 465.602 2.569 30 10 JFEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C2CCCCC2)C1 1711430682 ANQPEFPVDXKCLL-FQEVSTJZSA-N 464.570 2.997 30 10 JFEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC(C)(C)C2)cc1 1711804229 BGOPYLUPCNKXHH-JOCHJYFZSA-N 452.603 2.923 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722363383 RXUYXEIICOETBW-NRFANRHFSA-N 480.638 2.850 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1722365562 MUYISGAWXYVWLB-HXUWFJFHSA-N 455.971 2.592 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722367464 LSNPKWDBFHOUDF-ZRCGQRJVSA-N 493.029 2.708 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722369732 FLPLLJGADXNBGI-RJGXRXQPSA-N 485.654 2.839 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1722440596 KJZLJRFDLBRSQX-GOTSBHOMSA-N 464.658 2.948 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(F)c(F)c2F)CC1 1722446323 RWSCSPMOIXFQFF-UHFFFAOYSA-N 456.472 2.899 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)CN2CCCCC2)CC1 1722449477 SOWVOMSMIFCESX-LJQANCHMSA-N 483.686 2.722 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCNS(C)(=O)=O 1722454308 BCOPVDKGWJLHQN-UHFFFAOYSA-N 462.428 2.604 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1722456243 QYKULHCUWFFGRS-UHFFFAOYSA-N 462.019 2.944 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1722523576 ZHTTXADCGNGLRG-INIZCTEOSA-N 459.563 2.593 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1722566309 OUBMZPCZBYFFTC-OAHLLOKOSA-N 468.526 2.995 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1722680591 RMQANFLSEMJEEV-MOPGFXCFSA-N 497.662 2.956 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1722686034 ORYBHBIVBCVBHR-SOUVJXGZSA-N 461.485 2.929 30 10 JFEE C=CCn1c(CC(C)(C)C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1722686255 VICWSLPKCPWUST-KRWDZBQOSA-N 481.663 2.961 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722696530 BDIJVOPGZZHXEK-SANMLTNESA-N 493.612 2.619 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722701277 LMYPLLSVOCJWEW-UHFFFAOYSA-N 461.492 2.754 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722733601 YXYJQYJZTRIHOU-SFHVURJKSA-N 475.553 2.596 30 10 JFEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1723070562 HHZGKAJBEPNHNJ-RBBKRZOGSA-N 498.653 2.773 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C 1723907796 BBRROQSZXOWSQD-LPHOPBHVSA-N 487.655 2.761 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@](C)(O)c3cccs3)CC2)c1C#N 1725867401 HMMYCLFTENSLEC-HSZRJFAPSA-N 468.631 2.686 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(C(=O)NC)c1 1727009886 GVHDCBDPTXWTOQ-RTBURBONSA-N 487.612 2.771 30 10 JFEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)NC(=O)OC(C)(C)C 1727245209 GGNUHBJGTKVNMY-VQIMIIECSA-N 490.630 2.989 30 10 JFEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CC(C)(C)OC)CCOC1 1728813975 ANTMPWIFCHHRMJ-XMMPIXPASA-N 454.575 2.553 30 10 JFEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1(C)C 1728919383 GEJSHNMEQUDTLD-MISYRCLQSA-N 457.600 2.891 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740580829 JIATVXCLKRGSJK-INIZCTEOSA-N 458.950 2.552 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740596685 JMNRKUGINVECNX-HDICACEKSA-N 460.579 2.741 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1740623902 CKRPYXKRLKEYPI-ZEQRLZLVSA-N 483.682 2.810 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(SC)CCOCC1 1740686419 IKICEHOTYJFWTN-UHFFFAOYSA-N 454.600 2.515 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)c1ccc(F)cc1 1740687295 YNYCJUWDAOCAGO-VWLOTQADSA-N 462.529 2.649 30 10 JFEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740742044 AFSKCTCNOIJTEP-BEFAXECRSA-N 476.423 2.561 30 10 JFEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1740786632 KADKBZUHVPUQRF-URXFXBBRSA-N 482.629 2.956 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1740840163 XETPIXDANQWAOI-GHVJWSGMSA-N 450.518 2.937 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1740866214 ZMAVBVZPKDRZLL-SFHVURJKSA-N 481.022 2.578 30 10 JFEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740879714 LVEVBHSEEISNJW-CRAIPNDOSA-N 479.375 2.946 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC2(CCCCC2)C1 1740951310 FFVISADUMNYHNL-UHFFFAOYSA-N 487.004 2.703 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1740963820 YBKHHNGNTWTMLQ-IBGZPJMESA-N 480.594 2.620 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccsc2Br)C1 1740973094 RBSPWRWCCOKRCB-TZMCWYRMSA-N 490.449 2.542 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(SC)CCOCC2)C1 1740986280 VFQRDKPAHQMIST-OTWHNJEPSA-N 452.621 2.696 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740989285 HUEYASRPIMAURN-INIZCTEOSA-N 457.522 2.619 30 10 JFEE CC(C)N1CCC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1741622498 DSVDNMONCXUKGS-HSZRJFAPSA-N 485.658 2.635 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(SC)CCC1 1744084388 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BUMDJDICAQLPQI-OXJNMPFZSA-N 463.529 2.776 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358957044 OULOLSGWIBQNCJ-OFNKIYASSA-N 456.612 2.536 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358960696 JSKAOPNKIDUIJZ-FYYLOGMGSA-N 496.612 2.717 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358965344 SRQAIVBNUOFYIB-NFBKMPQASA-N 493.633 2.778 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCN(CCC)C2)CC1 1359045972 ZDIQDIDCOAVXJS-LJQANCHMSA-N 484.595 2.845 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359052656 MBWONRRLPFKGFO-UHFFFAOYSA-N 486.642 2.913 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359079996 CBIJMSQZFYIXKA-OAHLLOKOSA-N 455.378 2.876 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1359092051 WLWJCCOSIXCNHE-GIVPXCGWSA-N 490.004 2.694 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359095779 RRFMFUAQQRZBGU-UKILVPOCSA-N 491.640 2.788 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359135031 QBVAPKOOKZZNON-UHFFFAOYSA-N 459.616 2.598 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1359194546 XAPWHARMHFJQLN-NHCUHLMSSA-N 450.587 2.942 30 10 JFEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359203706 UKTVURLHEOZLCI-OALUTQOASA-N 473.622 2.963 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1359219643 YHULEWPTZSORDM-REWPJTCUSA-N 482.677 2.923 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1359256634 LHQJVSMBAXXZPK-GOTSBHOMSA-N 496.637 2.503 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1359272288 OIUPDAVWUHOOKH-SFHVURJKSA-N 462.595 2.680 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccc(C)cc2)CC1 1359293739 YKMSCYAGQBQXON-UHFFFAOYSA-N 498.429 2.983 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CCCC1 1359331338 VWNLWKJBKICNDP-UHFFFAOYSA-N 484.626 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1359333423 XFOHLJLCQIFZLJ-INIZCTEOSA-N 453.559 2.603 30 10 JFEE C#CC[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCN1C(=O)OC(C)(C)C 1435869475 MTTJUNVOVVEOLA-NLFFAJNJSA-N 450.539 2.963 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3cc(Br)ccc3C2)c1 1454046925 MIHBKQGRVQEVQQ-UHFFFAOYSA-N 451.342 2.948 30 10 JFEE C[C@@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)O)CC1 1493647153 DXGXADQTMWUKET-HXUWFJFHSA-N 479.629 2.501 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1502507121 DZDHZHNUXFBXBH-UMSFTDKQSA-N 488.614 2.554 30 10 JFEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1504405742 DFUOOIYEEYGUCW-QFIPXVFZSA-N 452.603 2.974 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507574691 PBDIIVFQSCXPGH-AEFFLSMTSA-N 466.521 2.503 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)C(=O)OC(C)(C)C 1507616932 PRQSXJJLSDKKKL-SFHVURJKSA-N 492.621 2.913 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1507631591 QXPBADDZWUCRKB-KRWDZBQOSA-N 489.523 2.935 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1ccc(N2CCOCC2)nc1 1507675313 BODBPCIZBRSLHY-UHFFFAOYSA-N 486.576 2.609 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCc2nccn2C1 1507708987 PMZBOBNVOMUWOW-SFHVURJKSA-N 450.543 2.507 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)[C@H](C)CC)CC1 1507742725 OORGIFZGUYXVJN-NSYGIPOTSA-N 473.568 2.910 30 10 JFEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507749799 XPRVBLZZZSNXPT-UHFFFAOYSA-N 470.643 2.738 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCS1(=O)=O 1507760621 BOZGXZDHTDJHGL-HNAYVOBHSA-N 466.405 2.995 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCNC(=O)C1CCC1 1507775648 SNKVHPVTAXXKDW-UHFFFAOYSA-N 476.379 2.577 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1507791936 CDSUSHHNJVYLDN-FQEVSTJZSA-N 462.348 2.633 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1507801601 WFBSXYGCJFFNHJ-AZUAARDMSA-N 497.566 2.751 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1508002926 PTHXWRIGCSHCFP-VQTJNVASSA-N 477.656 2.557 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1508072004 DFTDGMHSAXSEGR-FGZHOGPDSA-N 482.629 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1508131754 PZLGGOUOIXTJDB-LPHOPBHVSA-N 496.033 2.777 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCN1CC 1516342050 HIOXXRNGRIWVOL-UXHICEINSA-N 454.575 2.859 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC=CCO2)c1 1539039679 FEMVJOFYMBAACS-NVQXNPDNSA-N 479.581 2.720 30 10 JFEE C#CCCCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1539086970 OVTIOOVTAYGVOB-OFVILXPXSA-N 459.635 2.812 30 10 JFEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539109209 KWUAUGCLVXMYOO-UHFFFAOYSA-N 494.640 2.900 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539148995 PMVIQSSIHHGYHR-WIYYLYMNSA-N 456.566 2.569 30 10 JFEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539190637 OYVAKVDQIKCTBZ-FQEVSTJZSA-N 465.520 2.795 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CCC2)C1 1539499326 IMXWYVPJQPPCBY-UHFFFAOYSA-N 489.667 2.569 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N2CCCC2=O)CC1 1539505289 ALQJKDIUSGRZNB-UHFFFAOYSA-N 469.611 2.920 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC=C 1539557335 QULZTRUVHQFPKM-XMMPIXPASA-N 456.591 2.687 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)NCCOC)CC1 1539634977 DNJOUZKRDSSLEA-UGKGYDQZSA-N 488.658 2.594 30 10 JFEE C=C(C)COCCn1c(N2CCSC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1539759158 FCYZHNYYZUMKSZ-JOCHJYFZSA-N 452.621 2.625 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1540059006 LDRIRTRHUZJVTO-PXNSSMCTSA-N 475.615 2.789 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1540865126 WLGAMSOTMXZBGR-GOSISDBHSA-N 485.585 2.526 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1540877359 SHDDWVJEBZIFKV-WIEQDCTASA-N 461.513 2.706 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCC[C@H](C)C2)cc1C 1542430657 CIVCOCDTIKRJCM-RBDMOPTHSA-N 465.602 2.996 30 10 JFEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 1545846159 DWIANTXKYWVXGE-GOSISDBHSA-N 452.462 2.704 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1546576761 BQRUEHUDFCRILY-VQIMIIECSA-N 467.574 2.692 30 10 JFEE CCc1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC 1548369609 WJVUGAZKQROASG-LJQANCHMSA-N 480.512 2.765 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCC(=O)NC2CCCCC2)cc1 1555988543 GHLXEGYCWPXAIS-UHFFFAOYSA-N 463.586 2.748 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)cc1 1567304452 PXLZBQOQCHCTHT-UHFFFAOYSA-N 456.564 2.688 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC2CC(OCC)C2)c1 1587689697 PKVLICYGUPQXHG-UHFFFAOYSA-N 461.570 2.940 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1587823385 PEHYYCIHEFGVTM-JOCHJYFZSA-N 451.575 2.871 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1588158980 NUCHSZWOJMDGNH-FDFHNCONSA-N 477.613 2.716 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588238230 NJNZIIRBHLFLPE-GGAORHGYSA-N 483.613 2.675 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCCCC1 1588581553 WEHQSGJGFBVLRO-UHFFFAOYSA-N 463.380 2.524 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1588811193 CEFUPKZJPZLROU-LJQANCHMSA-N 459.978 2.994 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCCO2)CC1 1588892142 XXXFUBMYUJNHGQ-GOSISDBHSA-N 489.418 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30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359135087 RIFMBLBCSKBGDK-FPOVZHCZSA-N 460.648 2.774 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)c(OC)c2)CC1 1359179037 KDZIVUSCFGGENO-HXUWFJFHSA-N 496.033 2.724 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1359194818 BYOJEKHDNLRPAM-PKTZIBPZSA-N 466.630 2.742 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1359257834 XHEHIFWKBJDOHD-ZJSXRUAMSA-N 474.627 2.946 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@]1(OCC)CCOC1 1359335344 ITQKJKBWGRPTHL-QFIPXVFZSA-N 481.018 2.747 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1359342751 DZWPTBZARUDEEK-FQEVSTJZSA-N 476.668 2.976 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCc1ccncc1 1360211353 FTOFBTVYEQPPOG-UHFFFAOYSA-N 459.554 2.973 30 10 JFEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)Cc1ccccc1 1460071954 ONWVPRLZTOFPAJ-PMACEKPBSA-N 455.580 2.558 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1588029624 JMZJYTOQHMVYFC-LJQANCHMSA-N 458.632 2.749 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1588035183 PRWOKDVRTMWXRH-OAHLLOKOSA-N 466.405 2.853 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588055787 ZFEUCHZTAIDWBL-QFIPXVFZSA-N 461.676 2.930 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)CN1CCOCC1 1588093377 KPAXVLLPBDYCSU-GOSISDBHSA-N 456.388 2.749 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588743127 XWGBSJOQVSDFHG-NRFANRHFSA-N 484.620 2.548 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1588929582 DDRAKXNNROXKNP-FCEUIQTBSA-N 457.619 2.733 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1588969228 YKFJTJVNMHBGHT-UHFFFAOYSA-N 471.602 2.594 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1589483758 QMGHLZJCQBICKQ-IEBWSBKVSA-N 480.660 2.659 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1OC 1589530782 XYEFIQWZUFRVLT-HMFYCAOWSA-N 455.559 2.734 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)C)CC1 1589571317 YORSPGPFZUGGSC-GHTZIAJQSA-N 486.642 2.555 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1589701015 IMXZOSCLRXTMHZ-JOCHJYFZSA-N 451.619 2.940 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1589708416 MBOUHLCWZUPPFU-ROUUACIJSA-N 472.615 2.712 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Nc2cccnn2)CC1 1589731271 HBBSSFLCWJINNL-UHFFFAOYSA-N 453.572 2.796 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ncccc2F)CC1 1593763501 MIFBUWLMHMQOTK-UHFFFAOYSA-N 468.581 2.983 30 10 JFEE C=C(Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1593800529 QNELEPBCURSNEH-QHAWAJNXSA-N 496.612 2.713 30 10 JFEE C=C(Cl)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(=O)NCCOC)CC1 1593834999 SDWYISLWBXKABD-MRXNPFEDSA-N 493.077 2.769 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1593886249 RJNRGMYDBNYSOC-QGZVFWFLSA-N 483.013 2.788 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)nc1 1595127372 NLHMUQMUJFIOBH-QGZVFWFLSA-N 458.563 2.972 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1595291094 MMQWBFMCKMXCDY-UHFFFAOYSA-N 456.860 2.828 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2CCc3ccccc32)C1 1595674161 NJAFFKLGYCRFKM-MISYRCLQSA-N 459.616 2.790 30 10 JFEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1595885030 YXWONMWBXATARL-LJQANCHMSA-N 477.656 2.602 30 10 JFEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1595896276 XEIRMWGZENMNGD-UHFFFAOYSA-N 474.656 2.741 30 10 JFEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2COC[C@H]2OC)c1 1596630077 KJZHHMDTROPVOY-LEWJYISDSA-N 480.970 2.874 30 10 JFEE N#Cc1ccc(N2CC[C@@H](C(=O)N(CCCN3CCOCC3)Cc3ccncc3)C2)c(F)c1 1616674748 CSHFBYIPNCQEES-JOCHJYFZSA-N 451.546 2.670 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1=O 1619938643 BYLHCLKLBVOMPC-FNZWTVRRSA-N 479.629 2.622 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 1624045615 AHPTVCNWQHYPBT-AWEZNQCLSA-N 453.351 2.538 30 10 JFEE C#C[C@H](NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O)c1ccc(Br)cc1 1625078295 UQTOXGXPEZPZMA-AWEZNQCLSA-N 456.296 2.818 30 10 JFEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1625454261 RQBPYYYIOWGQES-SFHVURJKSA-N 454.612 2.905 30 10 JFEE C=CCOC[C@@H](NC(=O)c1cccn1-c1cccc(I)c1)C(=O)OC 1626204720 KHHYXLBYLWCOTF-OAHLLOKOSA-N 454.264 2.556 30 10 JFEE C=CC1(CC(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1628029714 LYBXUVNMDIFMKV-UHFFFAOYSA-N 451.608 2.970 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)s1 1628626667 KNPSLSTWLGIFHT-ZBFHGGJFSA-N 457.618 2.517 30 10 JFEE C=CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 1635149204 XPRHKXKWQPWDOP-UHFFFAOYSA-N 450.605 2.588 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1 1647832776 ASMBTYTVXOCMRF-HYDGNGQDSA-N 451.033 2.835 30 10 JFEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCCCC1 1657637972 SBOVLMOQXNZQQW-QGZVFWFLSA-N 455.602 2.553 30 10 JFEE C#CCNC(=O)C1CCN([C@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)CC1 1658405175 CKOCKXBIJUXASR-JKSUJKDBSA-N 459.612 2.838 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 1665968588 DAPVLZMZUGACAW-MRXNPFEDSA-N 457.556 2.905 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)n1 1687270531 GXYAJPRLINJQKM-WLRLJWMZSA-N 459.591 2.851 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)N1CCOCC1 1689835508 NWGFCAGTXFBDKO-HOTGVXAUSA-N 462.392 2.895 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1690013672 YHQCTOAIKIWMBV-UHFFFAOYSA-N 451.490 2.822 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690220943 GKKKNBJBRBPPFB-OAHLLOKOSA-N 483.388 2.647 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690342307 IIZMWRBJEVCXCK-JKSUJKDBSA-N 450.996 2.553 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1690485005 IUKJDGCJZHJOBY-HXUWFJFHSA-N 463.579 2.587 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C 1690580714 DQAWBBMOSHDUMN-PWRODBHTSA-N 479.691 2.883 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3cc(Br)ccc3C2)nnc1[C@]1(OCC)CCOC1 1690676992 KHQDRAPWEVBVHW-QFIPXVFZSA-N 490.402 2.558 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1 1690678256 PSFQFGBDWUOMPH-HSZRJFAPSA-N 495.672 2.634 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C(C)C)C1 1690720666 PIZBJVPPOHNCQE-HXUWFJFHSA-N 478.640 2.895 30 10 JFEE Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)s1 1693341322 ATBILACEQKWIOC-UHFFFAOYSA-N 465.583 2.942 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1693947016 HGUOEWLQECCBHB-HCYUJWNOSA-N 466.586 2.647 30 10 JFEE COC1CCN(C(C)(C)Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1697662964 BHGHNWLMUVYUDR-UHFFFAOYSA-N 483.665 2.531 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCN(CC)CC1 1705479401 IHIZAYVYIXQWGJ-SFHVURJKSA-N 476.467 2.922 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1705569796 KAONUSATOAYGOI-LJQANCHMSA-N 461.657 2.812 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705656481 ZFNXELIUQQCFSI-KRWDZBQOSA-N 485.017 2.758 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705664143 KPLRUDUNAMITCP-JOCHJYFZSA-N 496.681 2.583 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCS(C)(=O)=O 1705709420 OZAWYEKAYSNDAR-SIKLNZKXSA-N 462.616 2.936 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1705868449 OFNCCBMNOXFZNS-SFHVURJKSA-N 453.634 2.911 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1705903546 XUSIRBMPPMLEPV-WWNPGLIZSA-N 466.630 2.964 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C 1705913112 DSGBXJQJRRYXAR-DXIQSLLYSA-N 489.642 2.849 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)COC)CC1 1705941222 CWJLMXNPVPWDOP-UHFFFAOYSA-N 450.996 2.644 30 10 JFEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)[C@H]2CC)cs1 1708993050 DOWKWIXOCYFWNE-LJQANCHMSA-N 465.583 2.705 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCS2)c1 1711018025 HZGOMSRRAVEKNU-GOSISDBHSA-N 460.629 2.831 30 10 JFEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1711594379 HRPRGBXHCSZMHT-NVQXNPDNSA-N 479.629 2.765 30 10 JFEE CS[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712725957 HZDARTFXOZTUAG-GOSISDBHSA-N 476.610 2.871 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cccnc1N1CCOCC1 1722300520 CWPAAKRRWGUTBD-FQEVSTJZSA-N 460.582 2.810 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)c1ccccc1 1722350018 JLPQUFZUKQXPJW-SFHVURJKSA-N 451.600 2.833 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1722361940 KSEIZPMQQCECPS-MRXNPFEDSA-N 477.015 2.742 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722370801 DWISZZFKHVHTQN-NHCUHLMSSA-N 472.611 2.670 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)cc1OC 1722384425 VWOOAYWWBVZKJJ-UHFFFAOYSA-N 455.566 2.890 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCOCC2)C1 1722461061 LNVODWBRXDNQGC-IBGZPJMESA-N 491.658 2.960 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722590310 CJQARBQGUUGWCN-JOCHJYFZSA-N 459.620 2.542 30 10 JFEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722604968 QAMDNLUYVFRAFA-UHFFFAOYSA-N 464.614 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccccc2)C1 1722729596 QITDSDXRPFHJRJ-FQEVSTJZSA-N 473.624 2.813 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(C)C)C1 1722729962 CPKIDYXHHFIEEN-NRFANRHFSA-N 457.600 2.743 30 10 JFEE CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 1729204927 CEHPXVCBKFMRGT-LJQANCHMSA-N 494.662 2.957 30 10 JFEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1Br 1730162204 GQYNCODEZDOWMQ-MRXNPFEDSA-N 494.415 2.740 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CC(F)(F)CO2)c1 1740561737 IDLCEMQNIXMRPF-GOSISDBHSA-N 452.465 2.821 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1740644514 JJWZGMYTSPGCAU-OYRHEFFESA-N 486.580 2.955 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1-n1ccnc1 1740646196 RYKAPVYWJATNHZ-UHFFFAOYSA-N 450.506 2.622 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cccc(-n3cncn3)c2)n1 1740688580 XHFIVYPIWXIECQ-UHFFFAOYSA-N 473.585 2.687 30 10 JFEE C#CCSCCn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740722676 LSACAZYRDPPLKS-SLFFLAALSA-N 490.674 2.720 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740843582 LLRXQMQURVODMM-IAGOWNOFSA-N 468.668 2.622 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740962049 QPVPDVKEIACDJE-NRFANRHFSA-N 469.483 2.840 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1740992573 JIQUKDDTHIGMDB-YADHBBJMSA-N 462.579 2.608 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](COCC)C1 1740993232 ZVLNYCQWMYCKAW-NQIIRXRSSA-N 476.599 2.644 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1741002109 GBDCPAWNNLSVMQ-QGZVFWFLSA-N 495.696 2.560 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1)S(C)(=O)=O 1746009904 HJLNUJHQYMZMAC-UHFFFAOYSA-N 487.674 2.655 30 10 JFEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1748253511 FYBCNCURZFEIIX-IBGZPJMESA-N 467.574 2.789 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN(CC)S(C)(=O)=O 1748667369 SFVIECDSYSQKIM-QGZVFWFLSA-N 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SSTNSCPHVVGALF-FQEVSTJZSA-N 497.600 2.661 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCNS(=O)(=O)c1ccc(C)s1 1286514756 OLILQEATMCWQOF-JOCHJYFZSA-N 492.671 2.537 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286536711 RQELNLPEXVSUPL-SFHVURJKSA-N 492.418 2.802 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286707972 LQWHHKBGUWRIQR-HOTGVXAUSA-N 466.336 2.753 30 10 JFEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286714860 XEAMBRHOSXFFNZ-FQEVSTJZSA-N 454.575 2.623 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1286783943 QRYFTFBIFQQDAC-UHFFFAOYSA-N 465.989 2.926 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1286788272 SWSWNCIBKLTJKJ-RBBKRZOGSA-N 452.603 2.923 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286791929 HOCSMWKAHVPASP-RTWAWAEBSA-N 480.613 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(F)(F)C1 1286819186 CPSUZAANKTXGOS-UHFFFAOYSA-N 492.552 2.511 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)c2occc2C)CC1 1286840734 MMFGYKWRJDCDLG-UHFFFAOYSA-N 489.580 2.985 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C2CC2)CC1 1295346822 ARIVYRHUJJEZHA-NRFANRHFSA-N 451.575 2.826 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300375713 AZSXUCIPUPAKEY-VWLOTQADSA-N 472.634 2.850 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300481492 AOFYVFRYKKROJO-XUZZJYLKSA-N 470.639 2.926 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300496454 RLBOVTFITFKJAH-IAGOWNOFSA-N 483.516 2.609 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1300505215 ZDABGPVFYWBQNL-KRWDZBQOSA-N 487.557 2.530 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1300619195 UQIQKIYKWDHEMG-NRFANRHFSA-N 491.640 2.881 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1COCCO1 1300675165 MVUOKCUZXRBUNU-MRXNPFEDSA-N 455.342 2.665 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1300709861 IYNKTWMMLYGYSH-AREMUKBSSA-N 467.614 2.952 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(O)CC(OCC)C2)CC1 1300709944 MCHBRHWBFSIGLY-UHFFFAOYSA-N 455.628 2.564 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCc2ccn(C)n2)CC1 1300716124 JIYYIVLLRFQYPQ-HSZRJFAPSA-N 459.598 2.762 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300743077 GYEJITHNDVPSLX-FQEVSTJZSA-N 455.628 2.869 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1300880475 IVQHKDHQSVPXEH-MBSDFSHPSA-N 493.612 2.789 30 10 JFEE Cc1[nH]nc(NC(=O)[C@@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)c1C#N 1300944913 DGPGAVYVRWAGHB-ZFWWWQNUSA-N 451.346 2.584 30 10 JFEE C=CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301193943 BTDQLDWKADGWSY-FQEVSTJZSA-N 480.613 2.792 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCC[C@H]1C 1301362226 BVVUMNXJQNWJDP-CBGDNZLLSA-N 450.630 2.985 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(NC(C)=O)CC1 1301484182 CQBGSWJWMXOHHP-HNNXBMFYSA-N 456.616 2.539 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1301492018 VEQARJJMXINCGF-UHFFFAOYSA-N 460.586 2.796 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1301609631 MIAXSOPPRLMYTH-GOSISDBHSA-N 475.018 2.764 30 10 JFEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C1 1302433173 FJJDKWFLAOCERH-UNMCSNQZSA-N 466.586 2.896 30 10 JFEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1303006007 BUGGMXZDZYZZAE-FGZHOGPDSA-N 463.579 2.978 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1314700592 FEPHVCDARWFBQU-MJGOQNOKSA-N 461.613 2.638 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358884865 YKKJPAWATIYVLM-PXNSSMCTSA-N 473.503 2.852 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1358933892 HQFWLSGMNNOIHO-UHFFFAOYSA-N 459.616 2.795 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 1358954943 BCYMDKGHPRPHPN-FQEVSTJZSA-N 496.637 2.547 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1358957035 ORRMKCIPAIHLOI-VWNXMTODSA-N 498.697 2.631 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358958653 SWUAWTNUHLDDDF-OAQYLSRUSA-N 467.595 2.529 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358959159 CTLJRAQWSIWJDY-NZSAHSFTSA-N 458.584 2.950 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1358963407 HGBONASXTWBGLU-MRXNPFEDSA-N 454.518 2.763 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1358965061 NDVNDHCYCWYOSI-QGZVFWFLSA-N 462.000 2.654 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=C)Br 1358976592 JSKLRERXTKOVNF-UHFFFAOYSA-N 451.328 2.656 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1SCCc2ccccc21 1358994050 CQWVPFUYVJFYFQ-TZIWHRDSSA-N 454.621 2.674 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCC2(F)F)n1 1359027713 TXQRBDAYJRXYDY-LJQANCHMSA-N 472.544 2.987 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1359042698 QHCZYZJYVPIILL-CJAUYULYSA-N 453.587 2.717 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1Cc1ncn(C)n1 1359066348 XWXUYUBESFWBAA-HXUWFJFHSA-N 456.348 2.885 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359082355 GGCHWVAMXDYRIF-HUUCEWRRSA-N 483.411 2.831 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCc2ccccc2F)CC1 1359117269 QHUUXTQLUQHCFE-MRXNPFEDSA-N 451.568 2.789 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1359131482 VPFOHYSTSSBZAM-UHFFFAOYSA-N 461.570 2.989 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359145641 XVLNOEYJSWXDHQ-UHFFFAOYSA-N 479.766 2.981 30 10 JFEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359152369 UMIZVVRSHJOCAO-UHFFFAOYSA-N 477.396 2.546 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359208011 CVYWXVQPZHVQCX-KRWDZBQOSA-N 465.595 2.568 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C)C1CC1 1359251379 KEEYXUOMHXFPSP-IBGZPJMESA-N 457.579 2.832 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1359302841 VOHSLJLGHPFHNH-GOSISDBHSA-N 481.551 2.728 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1359304727 HSHBGLPDJJTWFD-UHFFFAOYSA-N 498.603 2.964 30 10 JFEE C=CCNC(=O)Cn1c(N2CCCC[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305561 GWXUFXSATDYQOA-GBESFXJTSA-N 476.622 2.604 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359311251 WCMSKIIPWOIVBG-HXUWFJFHSA-N 463.586 2.810 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2C#N)CC1 1359330166 JFPQMHQYDMYAOV-UHFFFAOYSA-N 498.012 2.793 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)ccc1F 1436037392 HOPPYIORJSWMLH-HXUWFJFHSA-N 455.511 2.623 30 10 JFEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1 1440678683 DHDMCAYKGRWMGB-OAQYLSRUSA-N 458.971 2.757 30 10 JFEE CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1496668784 GURWFKTYKXXYHC-LEWJYISDSA-N 450.591 2.612 30 10 JFEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(COC)CC2)CCC1 1502407103 AWPIJAQSTKIZDN-UHFFFAOYSA-N 466.586 2.898 30 10 JFEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCOCC1 1503358326 GKACOCYXBKAREB-QHCPKHFHSA-N 479.629 2.622 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C2CC2)c1 1504139061 BKQMYXAFLBFHSU-FOIQADDNSA-N 462.348 2.606 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1504749860 CUZIBFBNQBQISY-RBUKOAKNSA-N 451.369 2.953 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCN(CC)CC1 1507522603 WUVOUJVYSSSARP-LJQANCHMSA-N 472.659 2.775 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccccc1OCCOC 1507531481 FQFZLWUKMJHUPP-HXUWFJFHSA-N 475.597 2.984 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507638440 FMUZLGAFDUQZKR-RBUKOAKNSA-N 462.641 2.852 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1sc(C)nc1C 1507653326 MWRHCOHLCIJDQS-GOSISDBHSA-N 470.599 2.781 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2F)CC1 1507668757 CGYHUJRTVHWKKA-KRWDZBQOSA-N 458.534 2.653 30 10 JFEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(F)cc(F)c(F)c1F 1507713421 JMLDUAXRMMVXSO-UHFFFAOYSA-N 481.475 2.960 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1507765823 VLCBYUAKNBOVEX-OAQYLSRUSA-N 456.597 2.681 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507846383 KCTZIESJIFIJAG-UHFFFAOYSA-N 480.657 2.905 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1507915518 BXFHHTPWTSYMRO-WOJBJXKFSA-N 475.663 2.907 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507923394 TXDUPVLJVICJLF-UHFFFAOYSA-N 451.619 2.611 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507944759 XUWUIUMOGFCLBZ-UHFFFAOYSA-N 489.020 2.554 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1508114551 BNSJYCNDOZUIOO-HXUWFJFHSA-N 455.584 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)CC(=O)Nc2cccc(Cl)c2)nnc1C(C)(C)C 1508149001 MUAKQGQJMGLZPN-UHFFFAOYSA-N 453.996 2.905 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCc2ccccc21 1508426790 IBYJTPZWEQHSAI-HJPURHCSSA-N 450.568 2.699 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCc2ccccc21 1508426791 IBYJTPZWEQHSAI-MWTRTKDXSA-N 450.568 2.699 30 10 JFEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C(C)C 1515721387 FZGXIBRIQLOLBW-NRFANRHFSA-N 487.674 2.655 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1519163914 FWCHQJNJDMTNBH-BJLQDIEVSA-N 461.563 2.804 30 10 JFEE 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485.585 2.546 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1358966706 UWZGWOJSJJEAJK-GHTZIAJQSA-N 476.046 2.814 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358967682 PZSSISCOQCCFOP-RBUKOAKNSA-N 458.559 2.979 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1358973922 KLXNHMQGRPDLLC-VXKWHMMOSA-N 471.613 2.752 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(CC)noc1C 1358976819 RXLMAHVRWYYARB-UHFFFAOYSA-N 455.522 2.655 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(COC)cc1 1358979588 RJXSOZJQNYUPJF-JOCHJYFZSA-N 479.581 2.854 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1359103159 KXRSYTMNHSVKMR-HTAPYJJXSA-N 478.590 2.991 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359119392 PUYQKMLDJSMNBD-OAHLLOKOSA-N 453.996 2.949 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359128389 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C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587832043 YKEYQGIISCLZEM-IBGZPJMESA-N 480.569 2.627 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1587879178 OUXMTVVLHDQUOJ-VWNXMTODSA-N 450.631 2.917 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588044651 AIGGFIMZZUGBLT-GFCCVEGCSA-N 477.306 2.897 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588053727 HSLUORJTAMRDBC-NRSPTQNISA-N 472.611 2.611 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)C(C)(C)C 1588093321 JPCNMVSVRUIDLK-UHFFFAOYSA-N 450.511 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cscc1C 1588099636 TZBJOJRDZKGPBC-UHFFFAOYSA-N 453.593 2.686 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1(O)CCN(C(C)C)CC1 1588482314 QOFBSWGDZGPZCH-UHFFFAOYSA-N 463.561 2.749 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(CC(F)(F)F)C1 1588673237 NNJJWNPEQFSWCZ-INIZCTEOSA-N 456.538 2.604 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1588733642 XDNFBBBKCBPHTO-SFTDATJTSA-N 450.587 2.575 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCOCC1 1589394501 HLNPQBNEMDTYEA-QGZVFWFLSA-N 475.391 2.611 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1589544353 GKMGLKCRFBVHCB-AQNXPRMDSA-N 487.567 2.854 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1589567869 GKRROQXWXXEVOR-UYAOXDASSA-N 452.621 2.734 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1594192946 MVWTUCGYDFRKTL-QFIPXVFZSA-N 454.637 2.934 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccc(C(F)(F)F)n2)CC1 1594236704 GRNSKNXGQBXBAM-OAHLLOKOSA-N 470.521 2.634 30 10 JFEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1594802857 JLNOALABOSHRSN-UHFFFAOYSA-N 454.497 2.771 30 10 JFEE C=CCNC(=O)Cn1c(N(C)CC2CN(C(=O)OCc3ccccc3)C2)nnc1C(C)(C)C 1595594258 MHTBMGSWGASVDN-UHFFFAOYSA-N 454.575 2.583 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCCCCC2)cc1 1595614306 RODUICIJADFKOZ-JOCHJYFZSA-N 489.642 2.995 30 10 JFEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)n1 1612183687 BDJZXCVKRXAWHJ-WDSOQIARSA-N 451.554 2.591 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC)[C@@H](C)C2)CC1 1615881683 DZEJJYZSUBEPEY-VXKWHMMOSA-N 464.662 2.621 30 10 JFEE C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2c(Br)cnn2C)nc1C 1616295973 JMVOWVUDSDVYJA-UHFFFAOYSA-N 454.379 2.862 30 10 JFEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1619779077 BXAFBRFGUGQWSX-RCZVLFRGSA-N 469.586 2.912 30 10 JFEE C=CC[C@H](C)NC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1629216436 RIZDDIVJYHIEIZ-JTQLQIEISA-N 454.184 2.961 30 10 JFEE COc1cc(F)c(Br)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1638312036 HMUMRTCLFFXPFR-JTQLQIEISA-N 456.293 2.774 30 10 JFEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)CC1 1655013013 ACYNAFDRZVEHHO-RBDMOPTHSA-N 463.420 2.903 30 10 JFEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1678737508 QXPVZKGQEVKHBR-HXUWFJFHSA-N 454.550 2.819 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)[C@H](C#N)C1 1681433599 HYZRMTPOGVZXNF-SJLPKXTDSA-N 458.950 2.802 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1689864842 JCLRAKRGKGOLDA-XLIONFOSSA-N 481.519 2.977 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCCN2CCOC2=O)c1 1689873532 MSHVRPJEKCVWOE-UHFFFAOYSA-N 464.570 2.909 30 10 JFEE C#CCCCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689906767 SEWCLQBJIDIOTI-XMMPIXPASA-N 483.573 2.752 30 10 JFEE C#CCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689941078 IZJBGOMDMXVHPF-KDURUIRLSA-N 496.616 2.587 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689978412 VCEQUQSBFYEAIN-NRFANRHFSA-N 469.611 2.964 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1690032808 JXRDCKHEMPYWPR-ISKFKSNPSA-N 496.681 2.654 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC2(C1)OCCO2 1690036202 ZPWOSVLKDMYTGI-LJQANCHMSA-N 450.539 2.968 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1690072874 XNCKQFRMMVSCHN-UHFFFAOYSA-N 475.578 2.626 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCS(=O)(=O)C1 1690090051 UMBJUUVKOJGEOG-LJQANCHMSA-N 453.543 2.862 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C)N2CCOCC2)CC1 1690111594 FVELYSAUSSUBDI-JTHBVZDNSA-N 466.630 2.511 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(F)(F)F)n2)CC1 1690142247 KMKXGOROGJHLLV-UHFFFAOYSA-N 469.471 2.768 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOc2ccc(C)cc2)CC1 1690145997 CMYXEGZTZXKZSX-OAQYLSRUSA-N 451.571 2.525 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCN1CCCO 1690195132 FCWRTIROLNAQPW-RXFWQSSRSA-N 483.613 2.810 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690196069 XCPPYHCELYCAGJ-HRAATJIYSA-N 492.443 2.981 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690315698 JZWIUNIUBJILEM-BWKNWUBXSA-N 498.647 2.980 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1690432379 BXVWWBCFMLNYTE-GOSISDBHSA-N 491.637 2.650 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1690432430 DIAWONTVGLVRIU-YADHBBJMSA-N 487.670 2.638 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1690464779 KJZZEMROAFQZGD-LEWJYISDSA-N 459.616 2.961 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1690485201 NIHMJAAIOISUKN-ICSRJNTNSA-N 459.616 2.802 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1690621890 CHHJPHSCMLPSRB-GOSISDBHSA-N 477.606 2.607 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690663940 ILUZYFVRHMPPNW-XMMPIXPASA-N 471.627 2.560 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)C(C)C)C1 1690687811 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30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCCSC)c1 1722306936 XBNWBBFUGLCTOT-UHFFFAOYSA-N 454.600 2.714 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1722364557 LQSYJYOQSCUBGO-MJGOQNOKSA-N 493.029 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)COC)CC1 1722444509 ZJYSIVJRLKJLOB-INIZCTEOSA-N 474.403 2.956 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COc2ccccc2)C1 1722495789 ZAEPJEBDJLBHAG-BVSLBCMMSA-N 469.586 2.682 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1 1722641111 XPEOIIIEPKZDBI-QUCCMNQESA-N 487.605 2.609 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1722671920 FZHSGZKITUQOCW-UHFFFAOYSA-N 480.661 2.866 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722695011 PCGRWBMCEJBZMP-LJQANCHMSA-N 461.570 2.681 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1722701101 GFZJWGVMCAHHKZ-UHFFFAOYSA-N 485.013 2.848 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2.811 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1593636557 NYGZHZRFRNMTAS-IFMALSPDSA-N 494.706 2.668 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)c1ccccc1 1593782067 FRWQVOAJEBJZCT-UTKZUKDTSA-N 484.630 2.652 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1593886240 RJNRGMYDBNYSOC-KRWDZBQOSA-N 483.013 2.788 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)CC1 1594237555 TXNRPDGKMUMVIH-INIZCTEOSA-N 451.980 2.710 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCS(=O)(=O)C1 1595120154 OHNPODLUHQUGKL-ACRUOGEOSA-N 460.600 2.629 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1595267387 USHRALGUWXZRDK-SFHVURJKSA-N 462.595 2.552 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1595831624 UWISAXFSBJDOFI-GOSISDBHSA-N 462.572 2.528 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1595838083 KGMHOAPCSHTWQD-UHFFFAOYSA-N 470.643 2.906 30 10 JFEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 1595958077 BSNLLBPABSLRAU-KKSFZXQISA-N 451.596 2.971 30 10 JFEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)C1 1596589046 DPBJOKCYBFFGIV-LJQANCHMSA-N 452.580 2.941 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CCO1 1611003264 IBOVKFRQMLIZAF-JOCHJYFZSA-N 455.559 2.786 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@H](C(N)=O)c3ccc(O)cc3)C[C@H]1C)C2=O 1615246179 QSGXSFMLJZRUOL-GRAVLLHUSA-N 486.908 2.686 30 10 JFEE CC(C)(C)OC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 1615879394 XOVFQPBVKZYPCW-JOCHJYFZSA-N 464.518 2.913 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)cc1 1630025548 FHUKWSSVVMBFBS-UHFFFAOYSA-N 456.973 2.528 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1 1630504692 BBDWTFBKMGJGAA-JOCHJYFZSA-N 451.592 2.630 30 10 JFEE C=CCn1c(SCC(=O)N2CCC(S(C)(=O)=O)CC2)nnc1-c1ccc(Cl)cc1 1630854149 OPXXEZXKAMAECN-UHFFFAOYSA-N 455.005 2.912 30 10 JFEE C#C[C@H](NC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)C1CCOCC1 1637129160 YGHHLIVCIGVMBB-FHWLQOOXSA-N 455.452 2.800 30 10 JFEE N#Cc1cccc(NC(=O)C2CCN(CC(=O)NCCc3cnn(-c4ccccc4)c3)CC2)c1 1642239143 CDAURVYUIQVZKP-UHFFFAOYSA-N 456.550 2.753 30 10 JFEE C=CCNc1ncc(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)s1 1652193063 BALQBHSRDVEGFY-CQSZACIVSA-N 450.561 2.804 30 10 JFEE C=CCn1c(SC[C@H]2CCCN(S(C)(=O)=O)C2)nnc1[C@@H]1COc2ccccc2O1 1652469111 BMAABCYZLRKEPN-YJBOKZPZSA-N 450.586 2.740 30 10 JFEE CN(C)C(=O)COc1cccc(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 1677012728 FKNYWZJDRYEFNM-UHFFFAOYSA-N 451.527 2.610 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689993727 KKKKIFOJPFRUSF-RBBKRZOGSA-N 486.638 2.514 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCN1C1CC1 1690036754 ACBAQCVMCJHYGC-HSZRJFAPSA-N 494.665 2.675 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(CCc2ccccc2)n1 1690077406 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466.405 2.669 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)C(C)(C)C)C1 1359317129 CKKHHHPHOSQFLZ-SFHVURJKSA-N 476.599 2.711 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)c(OC)c2)C1 1359321853 MUDMBQRDDYRXGX-QZTJIDSGSA-N 481.018 2.866 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1359331695 GHIJXUOZCCTNEJ-DHIUTWEWSA-N 487.670 2.874 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1=O 1360017453 FSKZRPDOCDGTCA-OYRHEFFESA-N 479.629 2.621 30 10 JFEE C=CCCCC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1435038698 BSHXFHGZGYCNBB-UHFFFAOYSA-N 454.184 2.962 30 10 JFEE CC[C@](C)(COc1ncccc1Cl)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1446500461 CCJUSZPZFOXSQB-JLTOFOAXSA-N 450.948 2.637 30 10 JFEE C=CCN(C(=O)c1nc2ncc(Br)cn2n1)[C@H](Cc1ccccc1)C(=O)OCC 1458993326 BBUCVMXTCXQCFI-MRXNPFEDSA-N 458.316 2.689 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(-n2nncc2C)cc1 1469395015 BVCGDNPILJOEET-LJQANCHMSA-N 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C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncccc2F)CC1 1540899782 ZPDPZHOLBWSEJX-UHFFFAOYSA-N 484.601 2.969 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1540905229 VCHGZFZQKGFFEG-NRFANRHFSA-N 472.636 2.979 30 10 JFEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1542128465 AUQICYCGYSKEQW-ORHBMQHOSA-N 496.033 2.834 30 10 JFEE CC[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1545998890 DKTQAAWEZGUTIS-HKUYNNGSSA-N 464.549 2.810 30 10 JFEE CCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(S(=O)(=O)CC)CC1 1548400590 KNABGBWJWRYLAJ-RBUKOAKNSA-N 486.560 2.827 30 10 JFEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(=O)OC(C)(C)C 1554275689 CVFQYIHNSBGVEA-HXUWFJFHSA-N 494.600 2.630 30 10 JFEE N#CC1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)CCOCC1 1558775697 BUBFBBSJIGZQCE-HNNXBMFYSA-N 452.324 2.877 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@H](Cc3cccc(I)c3)C2)C1 1565346468 QHNLRATWWLMHMB-IEBWSBKVSA-N 451.352 2.963 30 10 JFEE C#CCN(CC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)C(=O)OC(C)(C)C 1568539213 RYNRPHNWWNJMQZ-UHFFFAOYSA-N 451.523 2.702 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)ccc1F 1586538336 FSWXFQHUSWNQQX-UHFFFAOYSA-N 454.527 2.801 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1587615517 VRJYCVGVVDQMIE-IRXDYDNUSA-N 489.646 2.857 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CCOC)CCCC1 1587931693 AJNLVIVAGRRVJZ-UHFFFAOYSA-N 459.616 2.862 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)CC(F)(F)F 1587984997 QGYSWVBANKZGNJ-UHFFFAOYSA-N 458.529 2.956 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588040881 RDBBUEBHAUDUEH-WBVHZDCISA-N 466.966 2.791 30 10 JFEE C#CCN(c1nnc(C2CC2)n1CCc1cc(Br)ccc1F)[C@H]1CCS(=O)(=O)C1 1588050235 PSENWMHEZWAONC-KRWDZBQOSA-N 481.391 2.927 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCN1CCC 1588139208 NOOWMVBRIUKMTF-YADHBBJMSA-N 484.645 2.924 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCC(N)=O)CC1 1588993798 NEYLDSFZQLODNU-UHFFFAOYSA-N 465.421 2.884 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1589027713 SGFWTENJPYOXKE-HNNXBMFYSA-N 488.980 2.636 30 10 JFEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589421329 IYHAEOVWTQSSFH-GOSISDBHSA-N 491.365 2.683 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1 1589663172 JMAJMEIETIHUEG-ZDUSSCGKSA-N 494.565 2.537 30 10 JFEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1593817575 GDDGGEKXQJIVHD-SFHVURJKSA-N 484.022 2.656 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSc2ccccc2)CC1 1594097386 SJNYSOLUPNSJTR-IBGZPJMESA-N 463.629 2.560 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1594732282 BNSCFVMLIGECLE-NHCUHLMSSA-N 475.615 2.545 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1594783739 HTNXQCNONQTZKJ-UHFFFAOYSA-N 482.585 2.566 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCOC2)C1 1595701235 ZAGHHCIPCKYWTD-MGPUTAFESA-N 467.339 2.779 30 10 JFEE COc1ncc(NC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)cc1C#N 1598433330 HGHCAIVARDSEGA-SFHVURJKSA-N 456.300 2.892 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1610129668 DSRIIVZDSHHPSA-QHCPKHFHSA-N 492.672 2.584 30 10 JFEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1611792690 GYSMLICLNZCKQY-SFHVURJKSA-N 464.492 2.695 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)c1C#N 1616429788 AHVIMYNEFDJVEQ-UHFFFAOYSA-N 456.959 2.547 30 10 JFEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1634564646 FLDSSQKQTTVGPB-RTBURBONSA-N 450.967 2.979 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(O)(COC)C2)c1 1637537887 CHHCPAKJCZDKOU-UHFFFAOYSA-N 450.944 2.555 30 10 JFEE Cc1c(S(N)(=O)=O)sc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1Cl 1638999413 HQCARSLAUHTLOE-UHFFFAOYSA-N 454.961 2.744 30 10 JFEE C#CCn1cc(CNC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)cn1 1640012861 OZWHOSCAJHKHTE-UHFFFAOYSA-N 450.358 2.682 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 1640328641 HGRMLYBMXMVBQS-VWPQPMDRSA-N 469.607 2.909 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2c(C)noc2C)Cc2c(C)noc2C)c1 1641300502 HFRFWVOFMLLEED-UHFFFAOYSA-N 456.524 2.650 30 10 JFEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)c1 1661380875 CYIMSVQIZBUGAQ-QGZVFWFLSA-N 457.405 2.599 30 10 JFEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1=O 1668857963 MFXDMPIXNQHLKU-AWEZNQCLSA-N 456.387 2.980 30 10 JFEE C#CCOc1ccc(CNC(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)cc1 1671963746 KBUFLLHFGJDRCH-UHFFFAOYSA-N 458.360 2.930 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(I)cc1 1681964707 CBASYEUNCBBGNY-UHFFFAOYSA-N 458.296 2.657 30 10 JFEE C#CCN(C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 1686977905 LNPUCXYZJDRETQ-UNEWFSDZSA-N 455.374 2.883 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2cccnc2N2CCOCC2)c1 1689872165 QDRYKLFSRIXLMO-UHFFFAOYSA-N 487.608 2.813 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1689926624 UWZSBIKNAWDYOW-LJQANCHMSA-N 489.624 2.983 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(F)(F)C1(OC)CCOCC1 1689955501 KLHNNRTXVBLNQX-UHFFFAOYSA-N 450.486 2.863 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1689980181 NHWZMWTZIOAOJP-PXNSSMCTSA-N 499.568 2.636 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984916 YCJXILJPQHOHHE-GOSISDBHSA-N 476.574 2.871 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1689985006 ZZINYSZRPZBTMX-IBGZPJMESA-N 453.568 2.547 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1690046833 HHOFLIMBLGOELW-SJBKTWHCSA-N 485.679 2.788 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690252952 KTXMBNKBZMGLHH-GBAAUQCPSA-N 460.667 2.791 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690346690 ZPTGTTUULWGZFK-OAHLLOKOSA-N 479.981 2.769 30 10 JFEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1690523713 MARSKJABHHFKRD-UHFFFAOYSA-N 467.530 2.510 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cccc(C(N)=O)c1 1690663386 VBYHOHVOEDIIJL-UHFFFAOYSA-N 489.399 2.807 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690665629 KIRPZWSGILAPKD-UHFFFAOYSA-N 477.569 2.710 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690724582 RZNNJPHASAVTTQ-OAQYLSRUSA-N 493.605 2.595 30 10 JFEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1690735666 FSWIDJXDJZAYCY-UHFFFAOYSA-N 467.599 2.998 30 10 JFEE CC(C)CCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1692369299 ANHJHVYTWIKAPD-AZUAARDMSA-N 450.653 2.677 30 10 JFEE C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)c1ccc(F)cc1 1692723931 FMVBNQASFBLBOM-UWJYYQICSA-N 490.605 2.684 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2Cl)C1 1692851592 FWWDALLGLNOCLH-KNXBSLHKSA-N 478.018 2.871 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCc1ccc(OC)cc1 1696328154 ACQOEXQMFIZGTK-UHFFFAOYSA-N 478.601 2.696 30 10 JFEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)ccn1 1696530309 FJHSSTYLRWXVRN-UHFFFAOYSA-N 462.583 2.833 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1705650364 PNEFNLMQSMLVQQ-ZBLYBZFDSA-N 477.657 2.740 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCCCC2=O)CC1 1705651192 NGNXEOFXSGHZNE-UHFFFAOYSA-N 492.624 2.534 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1705698455 USCQSHPLSPVIPX-VWPQPMDRSA-N 488.658 2.505 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705791755 DAACHCGCCJIABX-SFTDATJTSA-N 452.603 2.733 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1705866477 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2.892 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722358331 AJKZQFFXWGDTMQ-MOPGFXCFSA-N 464.538 2.558 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1722363240 ZKYYFJMEZKGNAI-IBGZPJMESA-N 467.595 2.656 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1722365832 FONPTKDESLNEKB-TUFLPTIASA-N 464.632 2.598 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1722366463 QEWCNRLWPRKGOK-RLLQIKCJSA-N 460.575 2.642 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722367252 LLOQZUUHEMSNCM-SIKLNZKXSA-N 488.610 2.624 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1722425911 QHTCIJNVUZVVIX-NRFANRHFSA-N 490.530 2.699 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1722440600 BDNYTTIMBMJQHA-XMMPIXPASA-N 451.596 2.890 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1722467677 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CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 2282605669 KBSMQHKVMROKBF-RXVVDRJESA-N 452.408 2.843 30 10 JFEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CC[C@@H]1NC(=O)C(F)(F)F 2282607596 LVNJVIXCJQBCNK-FZMZJTMJSA-N 475.704 2.563 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282636280 KJHSKJBZQWARPY-KRWDZBQOSA-N 480.436 2.881 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282674334 JHFASZXSSLENGV-IQMFZBJNSA-N 478.420 2.946 30 10 JFEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]1CCO2 2282679129 WDSBWAQTRRAPCA-CMJOXMDJSA-N 478.420 2.803 30 10 JFEE Cc1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)ccc1B1OC(C)(C)C(C)(C)O1 2282700572 RKUPFOLAHDQSIR-HOTGVXAUSA-N 452.282 2.672 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)[C@H]2CC[C@H]21 2282883520 BKZHCAFSQHCVPU-ZWKOTPCHSA-N 458.364 2.915 30 10 JFEE COC[C@@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 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COc1ccc(Cc2nnc(SCCO)n2N=Cc2cc(OC)c(O)c(OC)c2)cc1OC 2326784154 RTLXXRSQMTUWBS-UHFFFAOYSA-N 474.539 2.576 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328984878 JUBMDUVPWRUBHA-KRWDZBQOSA-N 487.586 2.753 30 10 JFEE COC(=O)c1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2N=Cc2ccncc2)o1 2329022443 GDBMGUYHZNELAD-MRXNPFEDSA-N 468.539 2.952 30 10 JFEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2C)c1O 2330742378 VBLSGWTVUXOWFH-UHFFFAOYSA-N 468.539 2.550 30 10 JFEE COc1cc(C=CC(=O)Nc2c(C#N)nnn2-c2cccc(NC(C)=O)c2)cc(OC)c1OC 2332190414 NPPJMGJNPICSPJ-UHFFFAOYSA-N 462.466 2.775 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)CC1(O)CN(C(=O)OC(C)(C)C)C1 2343085950 IUVKQXAIRMWVTP-UHFFFAOYSA-N 450.360 2.539 30 10 JFEE CC(C)(C)OC(=O)N1CCOC[C@H]1CCOc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345671202 UDVSHVFMQTUDNL-OAHLLOKOSA-N 452.332 2.925 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2361360130 FWAITQKJIMOIIK-NVXWUHKLSA-N 460.384 2.571 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2364967492 USHOHCJBUNQYQY-UHFFFAOYSA-N 462.327 2.666 30 10 JFEE C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)c3ccco3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO 4222433 SEUDNLBWZKSMGU-GWKZUWMJSA-N 485.606 2.886 30 10 JFEE biogenic C=CCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)O)cc2Br)C(O)=NC1=S 33314385 ZGUBJISTOHDQEU-YHYXMXQVSA-N 455.286 2.574 30 10 JFEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59887782 ULNSWTSOQNQEEX-ZVBGSRNCSA-N 462.967 2.749 30 10 JFEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 102513275 WWYNWRHRMOLKEO-SADKCHQCSA-N 451.479 2.657 30 10 JFEE O=C(/C=C1/NCCc2cc3c(cc21)OCCCO3)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 102571704 NPCAECVMZIXMLD-JJIBRWJFSA-N 498.601 2.557 30 10 JFEE CCOc1ccc(S(=O)(=O)NN=C(C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 254441520 HPQCXZBPPTVWNK-UHFFFAOYSA-N 477.564 2.859 30 10 JFEE COc1ccc(C=NNc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCOCC3)n2)cc1O 254877844 JCMRPITZVXJSRK-UHFFFAOYSA-N 466.458 2.520 30 10 JFEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc(Cl)cc2)C1 256032265 BFZMMXWLICLJDQ-FVQBIDKESA-N 455.902 2.839 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCCN(C(C)C)C(C)C)CC3)cc2C1=O 514336434 FUKCBNGUGCBTJF-UHFFFAOYSA-N 468.598 2.556 30 10 JFEE N#CCCC[C@H](N)C(=O)Nc1cc(I)cc(I)c1 691572551 XMRUXIJVEIYYNF-NSHDSACASA-N 469.064 2.855 30 10 JFEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)O)cc1C 777292074 WAXKLVAYMFXMQV-KOSHJBKYSA-N 497.573 2.626 30 10 JFEE O=C(CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)Nc1ccc([N+](=O)[O-])cc1 1083921950 JUIWIQICAJSHMC-UHFFFAOYSA-N 472.443 2.894 30 10 JFEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 1084605043 ZTCFRSKLQGBWHH-UHFFFAOYSA-N 469.512 2.687 30 10 JFEE C[C@H](CC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1136927447 BVUWJHQVYJPYLX-IVZQSRNASA-N 459.543 2.615 30 10 JFEE COc1ccc(OC)c2c1CN(S(=O)(=O)c1cc(Br)cc(C#N)c1)C[C@@H]2O 1187290727 GMJFOFUUMHNMRO-HNNXBMFYSA-N 453.314 2.576 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1286306578 VPKDRFSGTRGJQS-RCCFBDPRSA-N 461.607 2.948 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286325158 WIAHNNQAJMGAIW-OAQYLSRUSA-N 466.611 2.572 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1Cn1cccn1 1286415395 KBEVXCDEXGKRSH-UHFFFAOYSA-N 469.574 2.636 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccnc1-n1cccn1 1286420494 HYCAJCDXHTUVPJ-UHFFFAOYSA-N 452.478 2.945 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286462546 LUZAVRFNYPWQGW-ONTIZHBOSA-N 496.612 2.759 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOc2ccc(Cl)cn2)CC1 1286475200 ZDDYIVARFGOOIT-UHFFFAOYSA-N 452.946 2.836 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286498638 CHQJKKHTGKDPHH-UHFFFAOYSA-N 495.527 2.935 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](OCCOC)C1 1286543646 VLHCEAZGNUFYJZ-HNNXBMFYSA-N 484.420 2.810 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](C(=O)NCCCC)C2)nnc1[C@@]1(OCC)CCOC1 1286547870 KQNWZBOQKAVJAS-DYESRHJHSA-N 484.439 2.972 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286547995 QYRZOYJZMRGCKU-JFJDKTSWSA-N 498.676 2.650 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1286567081 SLKVXGXTYYYJNB-UHFFFAOYSA-N 453.547 2.959 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286604113 FNDXSCAAKPHBAN-YADHBBJMSA-N 489.642 2.936 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1286671614 VBICVRLKYCXUFQ-FQEVSTJZSA-N 483.592 2.731 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 1286758410 MNNIKRXXTJSLEV-SFHVURJKSA-N 490.611 2.554 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286780738 ZMRVXSLHIZXGRE-UHFFFAOYSA-N 487.358 2.746 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ncn(C)n2)C1 1286802764 BFYJDRFSIIBNSV-CQSZACIVSA-N 462.327 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(=O)OC)C1 1286817178 QOGWVQFHFWEPNH-HNNXBMFYSA-N 497.415 2.698 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3cc(OC)cc(OC)c3)CC2)nnc1C(C)(C)C 1286825088 LLZCSQCCYPDWLN-UHFFFAOYSA-N 491.658 2.516 30 10 JFEE C[C@H]1CCCN1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1291136648 BBMNPJLERNCMJQ-CYFREDJKSA-N 485.658 2.810 30 10 JFEE CN(C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1)C1CCCCC1 1297934172 AFWIURPLZCOJSE-UHFFFAOYSA-N 466.586 2.729 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)C1 1299401945 FRMQQNRSELYERI-WOIUINJBSA-N 453.543 2.789 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1300345090 OCJAELYFQSCURP-JPYJTQIMSA-N 458.584 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCSCC(C)C)CC1 1300722996 OPIWNWZQRSQWLP-UHFFFAOYSA-N 486.642 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC[C@H]2CCOC2)CC1 1300730617 CVCNPATUYVGBBE-FQEVSTJZSA-N 465.598 2.812 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)SC)CC1 1300730935 HIAAARRVHDSELP-KRWDZBQOSA-N 457.600 2.583 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC(=O)N(CCOC)C1 1300789019 VCVGVBJJSAYQBC-YCRPNKLZSA-N 475.391 2.523 30 10 JFEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1300855341 FBRAVWNKWFYOFR-OALUTQOASA-N 464.492 2.553 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1300873951 KVVTZZZMIWWLBT-IKGGRYGDSA-N 459.513 2.945 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300974357 HOZAFRVTQTXNGQ-FQEVSTJZSA-N 470.574 2.995 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301004211 VULQRHDAUPFGPS-ZCNNSNEGSA-N 463.623 2.726 30 10 JFEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301202410 IWVRBJAIPSHTPU-QFBILLFUSA-N 456.522 2.996 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301458599 YJKIDRHAVYEZCU-HZPDHXFCSA-N 474.528 2.845 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1301506672 OAPWZYRLIRHFFL-OYRHEFFESA-N 496.656 2.505 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1301507083 WDRCFAJTRCXAGF-FQEVSTJZSA-N 492.628 2.869 30 10 JFEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1301510093 SYYKIFPGOSOHED-GOSISDBHSA-N 489.020 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301576974 CTAHJWUJUXCGHQ-GOSISDBHSA-N 459.597 2.889 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1301587429 OOWQORHCPDQWFI-NHCUHLMSSA-N 459.616 2.508 30 10 JFEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)c1nccs1 1303721480 DTEAQHPTIYYDDG-YJBOKZPZSA-N 456.597 2.948 30 10 JFEE Cc1cccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@H](C)CC#N)n1 1304490005 GRNJDHPJRQTCJD-GOSISDBHSA-N 467.599 2.880 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1358870258 IZMQUHYGRGYYOR-IPMKNSEASA-N 473.021 2.819 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccnc2)c(F)c1 1358871315 CRIBHMRKCAKCGY-HOTGVXAUSA-N 472.546 2.721 30 10 JFEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1358923655 WJRBTUPSMGRXLJ-MRXNPFEDSA-N 491.415 2.949 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358958956 YYNVDIKCLBBYFV-INIZCTEOSA-N 479.484 2.935 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358963766 NRFLSYIVJFVJCR-ROUUACIJSA-N 460.575 2.526 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358963818 ONWFCEIAKFMHQT-KRWDZBQOSA-N 477.597 2.768 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1CCCCO1 1358970907 AIJZSMLAJNDNDI-IBGZPJMESA-N 454.600 2.579 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nc(C(F)(F)F)cs2)CC1 1359037628 QLJDCIVGHIIIOR-UHFFFAOYSA-N 467.546 2.913 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359099531 PQTCUTZMFHUECD-XLIONFOSSA-N 453.653 2.756 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2([S@@](C)=O)CC2)CC1 1359175436 LNYRTYNTVXSFBS-WJOKGBTCSA-N 477.656 2.509 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C2CC2)CC1 1359233731 PMQPJUAHRFSPMI-UHFFFAOYSA-N 458.632 2.692 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359284259 CGCLIMXFBGAQED-UHFFFAOYSA-N 498.628 2.728 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359296045 VHGJFVPSHHYMSU-QGZVFWFLSA-N 472.977 2.501 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1359319901 ICNLOOTXTXDVHL-NHCUHLMSSA-N 460.600 2.546 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1359320585 SKEAVCULFORZST-UXHICEINSA-N 475.615 2.600 30 10 JFEE 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30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1690245031 BUHSZMZVSJHGDF-XPNTWCBSSA-N 480.613 2.939 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 1690346272 PBIDYKOBFRKXEY-JKSUJKDBSA-N 478.985 2.809 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCCCC2)CC1 1690470978 QNITUTHMGPPYMM-LJQANCHMSA-N 452.669 2.947 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690673043 MIGWTAKBEYIWAU-IBGZPJMESA-N 454.575 2.583 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)NCC(F)(F)F)C1 1690694013 JEIJHSCWIHHDPD-HNNXBMFYSA-N 462.476 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCCN(CCC)C(=O)C1 1690721101 XMZHSDXQRKAPGZ-UHFFFAOYSA-N 482.610 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NC(C)C)CC1 1690726901 PURINBMMQPSZGH-UHFFFAOYSA-N 470.643 2.918 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1690729034 DTVVMCSXFMIVFP-VQIMIIECSA-N 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2.631 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595330123 JFUJSWAMLCLMFL-UHFFFAOYSA-N 453.348 2.825 30 10 JFEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1596404098 DERKVFWLYOKGFO-DEOSSOPVSA-N 455.559 2.604 30 10 JFEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CCN1C(=O)OC(C)(C)C 1620313685 AIYRBOREGGPWRX-KRWDZBQOSA-N 463.546 2.554 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2occc2CN2C(=O)Cc3ccccc32)[C@H](C#N)C1 1624812993 BOELDPBXOOQYNT-QZTJIDSGSA-N 450.495 2.858 30 10 JFEE C=C(Cl)CNC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1628361937 GZXDJFCFDQUNIH-ZBEGNZNMSA-N 450.388 2.604 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(NC(=O)OC)cc1 1630114900 ADOMABUJDRRZDG-GOSISDBHSA-N 458.540 2.779 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@]2(CO)CCOC2)ccc1Cl 1638254832 LSLQFEGQCDSWRH-NRFANRHFSA-N 450.944 2.603 30 10 JFEE C#CCN(C(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1645454548 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484.626 2.994 30 10 JFEE CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1706365380 HITPDBFKKLXCRG-TZIWHRDSSA-N 482.608 2.543 30 10 JFEE CC(C)CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1706443796 GBVYNDPWHFHGBW-GJZUVCINSA-N 479.629 2.610 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1CN1CCOCC1 1708728813 HFYWVIDGWHCLFV-VWLOTQADSA-N 483.592 2.519 30 10 JFEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1)OC 1712152452 CNHJYCGXFGHUHB-LJQANCHMSA-N 483.960 2.969 30 10 JFEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722365341 NKFXHSYDYIZPNQ-TXQGORRRSA-N 452.621 2.626 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722369428 ZDHQXYQEXLPVRL-CTNGQTDRSA-N 484.651 2.640 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1722372223 RVLUNEBKBSQYSS-LJQANCHMSA-N 455.609 2.503 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nc(C)cs1 1722398836 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COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C(=C(C)N[C@@H]3CN4CCC3CC4)C(=O)C[C@H]1C)C2=O 2297730960 ADBVJFRVKXFNLL-VNFRKBOCSA-N 488.968 2.807 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2302944118 AGFXTEUGPBEACN-WOJBJXKFSA-N 450.601 2.785 30 10 JFEE CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315695167 JWAQNAAAPRZUAQ-AWEZNQCLSA-N 451.398 2.962 30 10 JFEE C=CCC1(N[C@]2(C(=O)O)C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2325128649 VHOAXGDUIUKQCL-CKNGIIGNSA-N 451.564 2.994 30 10 JFEE COC[C@@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2339837931 FXKAYLGGBGOFPI-OAHLLOKOSA-N 452.357 2.650 30 10 JFEE COc1nc(N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365350087 KWLYWDNMJIEGTK-INIZCTEOSA-N 463.384 2.509 30 10 JFEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2368521290 PTPWMPXKANDSOP-UHFFFAOYSA-N 470.322 2.822 30 10 JFEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)c3ccc(Br)cc3)n2N)c1 20527452 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C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286389226 ZMMZJXQOSORLOH-VXKWHMMOSA-N 455.628 2.619 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286394992 QBVZSDOQUIUNOP-YKSBVNFPSA-N 476.618 2.822 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286395852 ONXMCDLQJHRTOX-QWFCFKBJSA-N 493.029 2.952 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 1286398312 WZDDBEDGGSXYBV-NNMXDRDESA-N 491.683 2.586 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1286439720 WVGRNVRYFGVFHI-LJQANCHMSA-N 451.575 2.789 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)CN2CCCCC2)CC1 1286487627 OYCIVTVIIFRAIZ-HXUWFJFHSA-N 493.612 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)cc2)CC1 1286490545 XNWBUTUWSRPJTJ-UHFFFAOYSA-N 472.597 2.595 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CSCCS2)CC1 1286491600 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C=C(C)COCCn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286614373 QKQWMIQCMAPCDM-YADARESESA-N 479.622 2.969 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286781267 WLEXZGVHLVIWRK-QGZVFWFLSA-N 472.565 2.600 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286789375 RKJACFCPANFJRB-IBGZPJMESA-N 473.021 2.956 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286793868 OIHJAGISYRGACY-CZTZKLFOSA-N 458.651 2.810 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1286818117 BXOYAGBIIVPTKW-UHFFFAOYSA-N 478.619 2.758 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](SCC)C1 1286819558 OAKOLKSPWSZTNG-INIZCTEOSA-N 481.644 2.719 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1286820758 RBHVCBKWCKIDIG-UHFFFAOYSA-N 474.606 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1286822295 CTLDFCVLCHBIHT-SFHVURJKSA-N 454.980 2.647 30 10 JFEE CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1286897921 BQTCANDEYFPDBL-UHFFFAOYSA-N 461.574 2.648 30 10 JFEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)cn1 1287170506 IAVRIQDDTAVVLH-UHFFFAOYSA-N 453.572 2.801 30 10 JFEE Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)C2)nc1 1289746543 AHDIIWQVEVEEQG-NRFANRHFSA-N 486.580 2.900 30 10 JFEE CCc1nc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)no1 1292694386 HYGWOGKDNYPYHP-UHFFFAOYSA-N 468.949 2.790 30 10 JFEE CCCC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1293732752 CNMNLCPWYZZPKP-KRWDZBQOSA-N 459.558 2.750 30 10 JFEE CO[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C 1299631433 GNDDNZGBZHLLPV-OAQYLSRUSA-N 492.559 2.934 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCCC2(C)C)c1 1300331834 RTERFHPCMQIACU-RRPNLBNLSA-N 495.624 2.928 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccccc1CC 1300364958 PGOYQRAQKTTWMY-IBGZPJMESA-N 457.600 2.621 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1300416278 CSHNFYMQLAUVID-MRXNPFEDSA-N 454.604 2.876 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300491098 DQPJJDXJNUKIKO-HXUWFJFHSA-N 471.627 2.872 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300498777 MZBYDGFJNNMHRT-HSZRJFAPSA-N 487.645 2.757 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300499456 SBSQSDKIYMAUKP-FQEVSTJZSA-N 469.998 2.787 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300528023 OCYYVZOGYYJKTO-PKOBYXMFSA-N 480.569 2.724 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCc1cnn(C)n1 1300548432 IZGWDTKZTZOGIY-UHFFFAOYSA-N 458.353 2.998 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCc2cnn(C)c2)CC1 1300708119 OBRQHKIEXSHGCO-UHFFFAOYSA-N 498.429 2.741 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1300726631 RBTJRFUYQQPIAS-UQBPGWFLSA-N 486.016 2.699 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1ccn(C)n1 1300788831 NMEVYABHGRKURL-XMMPIXPASA-N 450.543 2.939 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300886131 WOIJBECFCNJPPN-DYXWJJEUSA-N 460.600 2.803 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2C)CC1 1301222802 GPUMDEJNFHPMLH-JOCHJYFZSA-N 488.658 2.521 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1301502395 HFEIFMJSQYVOCV-UHFFFAOYSA-N 471.602 2.800 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2c(ccnc2O)C1 1301569099 PKFBUHFTRYUSJP-INIZCTEOSA-N 487.557 2.821 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1301585188 IBPDOHDQLQPDTQ-UHFFFAOYSA-N 475.590 2.684 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1 1301585690 BAHZKENEHWFVKZ-IAGOWNOFSA-N 450.630 2.809 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CCSC2)C1 1301586427 GULFTWGGICRUBH-NRFANRHFSA-N 450.605 2.942 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C(=O)NCCCC)CC[C@H]2C)nnc1C(C)(C)C 1301593560 PLXQWXCPZXVDKH-MSOLQXFVSA-N 453.653 2.698 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301604313 RCJBSYASMYEWRY-KRWDZBQOSA-N 462.620 2.933 30 10 JFEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1)N(C)C1CC1 1303694850 GHJITUJWVFDDSR-KRWDZBQOSA-N 456.616 2.961 30 10 JFEE CC1(C)CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1303956526 CGJAEYMHDCBVEZ-DEOSSOPVSA-N 487.626 2.683 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)c1 1309383449 JRFCCMUVHSIWGG-AVRDEDQJSA-N 456.564 2.933 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1358901484 MOOBGZGLHGOWAG-PMACEKPBSA-N 475.597 2.829 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2(N(C)C)CCSC2)c1 1358903307 RQINZJLUUPDFBR-SANMLTNESA-N 489.649 2.757 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1358918932 LNRZJYAOGGHLIZ-IBGZPJMESA-N 456.978 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C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1508139027 CAJCMDCHHZRVOF-ZWKOTPCHSA-N 484.626 2.901 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(F)cc2C1 1508143915 PODAHQCCWRUOAS-UHFFFAOYSA-N 489.598 2.572 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1508152920 DKSGDDRDWCGTRL-UHFFFAOYSA-N 468.631 2.583 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)C1 1508215993 RUNZIMHAKMMAGO-QRWLVFNGSA-N 478.370 2.747 30 10 JFEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCC(=O)NC1CC1 1508514036 CCLOQHYPXIFMCZ-UHFFFAOYSA-N 453.566 2.972 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NCc1ccccc1 1508701094 DJPPFTNFRVUVPI-KCZVDYSFSA-N 466.586 2.632 30 10 JFEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCCc2c1cnn2C 1517034322 DHZPGLNZXKAOFR-QGZVFWFLSA-N 472.475 2.743 30 10 JFEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1517169215 CVGGLODPWSQHLA-LJQANCHMSA-N 455.540 2.783 30 10 JFEE 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C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1540187978 YZDIKLBEBZQNRP-DEOSSOPVSA-N 470.595 2.555 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 1540502705 HSYCADUGXGUHHC-VWLOTQADSA-N 456.587 2.745 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1540854303 XWMKBIPXAWRHJU-NHCUHLMSSA-N 472.609 2.974 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1540870041 DFXGCLAHQBBINV-VAMGGRTRSA-N 488.633 2.558 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1540880230 AWHQMJISQNOCKX-UXHICEINSA-N 460.600 2.799 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2csc(CC)n2)C1 1540882945 QVUVUHGAESTBTN-QGZVFWFLSA-N 453.572 2.968 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1540900241 PDQCPNCBGKTFGI-UHFFFAOYSA-N 458.506 2.748 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1540908745 MYBXGEMZZHEBED-UHFFFAOYSA-N 469.007 2.557 30 10 JFEE 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1588084261 OZLHIXJZRQJTKJ-NHCUHLMSSA-N 452.578 2.656 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588238481 XIDYIXKQJHEHNP-UHFFFAOYSA-N 458.513 2.887 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCS2)CC1 1588898810 CVTYMPJEDJKMOU-IBGZPJMESA-N 499.637 2.832 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(F)cccc2Cl)CC1 1588930237 QROBOGPWTPEZOC-KRWDZBQOSA-N 459.953 2.979 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1588984581 ILVKDZMKHQAIGP-AEFFLSMTSA-N 475.018 2.994 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C#N)CC1 1589007376 MLXYIOHUZDJUOG-UHFFFAOYSA-N 472.640 2.692 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1589150998 PCAQHQBLYLGNFY-HTAPYJJXSA-N 457.600 2.621 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1589483236 NQVZXEYGVMWSJW-AEFFLSMTSA-N 479.507 2.591 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1589544487 HYAXJIPNTOHDDQ-SBHAEUEKSA-N 468.664 2.878 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1589570885 XCWLSHIBMMKJSD-SIKLNZKXSA-N 457.550 2.897 30 10 JFEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1593858083 BUEXVFKHOFTTEI-UHFFFAOYSA-N 460.026 2.853 30 10 JFEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1610043601 FVYBECYVMCIWPT-UHFFFAOYSA-N 492.628 2.942 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1610129657 DSRIIVZDSHHPSA-HSZRJFAPSA-N 492.672 2.584 30 10 JFEE Cn1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@](F)(C#N)C2)cn1 1618411981 CFBUHGWDQVQPSI-VGSWGCGISA-N 458.542 2.616 30 10 JFEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CCCn1cc(CO)nn1 1619107550 AYSKOBKWGCSKOV-UHFFFAOYSA-N 456.938 2.521 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)ccc1F 1633704462 LBGOTEHJFFNBPD-UHFFFAOYSA-N 455.939 2.620 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 1634905016 RRNZCLPKARUABX-GPMSIDNRSA-N 451.589 2.915 30 10 JFEE C=CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C(=O)OCC 1638326681 VIRXCYGKBLYLGM-HXUWFJFHSA-N 450.601 2.945 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](CC(C)C)N(C)C 1649539873 SICRDPIIFQVNCG-PKOBYXMFSA-N 459.664 2.981 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)C1 1655553949 ASLFJJVWVDDMPP-HNNXBMFYSA-N 454.980 2.527 30 10 JFEE C#Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)cc1 1665431276 VTVCZAIOFUMBFI-IBGZPJMESA-N 455.536 2.563 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)n1 1676450351 ACNRZAGGKIVHGR-GOSISDBHSA-N 457.550 2.536 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689981811 BNEZMHVTOWPYIR-MOPGFXCFSA-N 493.427 2.903 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689986676 VDLQZLRNLMNQCZ-PMACEKPBSA-N 465.579 2.743 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689987710 BAWYUBZKBSKYFP-ZWKOTPCHSA-N 468.608 2.543 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1689990487 PCZJVHMHUSLXKT-FCHUYYIVSA-N 456.612 2.658 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1689990587 QHBLQNSMNMDEQQ-SFTDATJTSA-N 472.611 2.902 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCNC(=O)C(C)(C)C)CC1 1690140454 ZHNWZIDNBCQLDP-UHFFFAOYSA-N 487.608 2.621 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1690146266 JNLVIACUHSGSEH-PZJWPPBQSA-N 470.643 2.502 30 10 JFEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC(S(C)(=O)=O)CC1 1690165934 OLIKLDGPHSBTQO-UHFFFAOYSA-N 455.609 2.873 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690235635 BTQCMRMEELOEFX-NRSPTQNISA-N 487.626 2.752 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1690236099 IKGMCCXERPYVCO-IFMALSPDSA-N 496.660 2.946 30 10 JFEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690283070 RKKGYMVTQHKKRM-UHFFFAOYSA-N 469.615 2.957 30 10 JFEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690291523 AIQRLCOBFBTEQD-GBXCKJPGSA-N 466.630 2.637 30 10 JFEE C=C(Cl)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690359216 VYISXCBSNUCHDG-JONQDZQNSA-N 450.971 2.516 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccn(CC)c2=O)CC1 1690402806 QMQWDPYZWXMHCV-UHFFFAOYSA-N 467.595 2.981 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690437534 HAOGUYATLQUBMQ-XMMPIXPASA-N 498.720 2.973 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCOC[C@H](C2CCC2)C1 1690675850 HKXVQVBXOSXFRE-OAQYLSRUSA-N 453.587 2.975 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1690714993 AOPAEZHNBVWWBX-KRWDZBQOSA-N 455.625 2.743 30 10 JFEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690737505 OFKHHJZLUBIVPH-UHFFFAOYSA-N 481.630 2.535 30 10 JFEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690738444 MXXYOOIKHVDMMU-RHSMWYFYSA-N 481.416 2.987 30 10 JFEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1696769798 AEXYLBQYPAXSLN-UHFFFAOYSA-N 464.574 2.986 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705538046 XUJPAPQPQZTRNV-SFTDATJTSA-N 453.587 2.826 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1705561928 VXWYCVZYKCATHY-LJQANCHMSA-N 462.019 2.710 30 10 JFEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(F)(F)F)cc1C)[C@H]1CCS(=O)(=O)C1 1705567112 UHPFMAUZOYGIKO-IBGZPJMESA-N 492.527 2.681 30 10 JFEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1705585366 QOEUVDKJTNDSJN-UHFFFAOYSA-N 456.591 2.557 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(SC)CCN(C)CC1 1705612716 NDYAEXUTNUCLHZ-IBGZPJMESA-N 492.690 2.873 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1705655609 NXMKQXHXAJHPBJ-UHFFFAOYSA-N 472.640 2.692 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1705721792 ZQOLHCNSLPSNKT-UHFFFAOYSA-N 461.343 2.878 30 10 JFEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705723909 DFIYATBYVQGORM-UHFFFAOYSA-N 462.963 2.815 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO)C1CC1 1705854692 YPADUBXMCROCFL-SFTDATJTSA-N 490.649 2.588 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cn1 1705864346 YWKLNJGJJZQICS-AWEZNQCLSA-N 450.565 2.725 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCc2ccc(S(C)(=O)=O)cc2)n1 1707812135 GBUATBMQEKVUQP-QGZVFWFLSA-N 455.588 2.524 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722280832 WZUVJCVFAOMAMI-NNMXDRDESA-N 470.593 2.958 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1722283301 RQVIGHCMJLUVQE-SJLPKXTDSA-N 465.562 2.682 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1722308130 GMICKALDDXZXIK-QGZVFWFLSA-N 498.613 2.521 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[C@H]2COCCO2)c1 1722308906 HQSDPLGWUVLROD-NRFANRHFSA-N 460.538 2.510 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2([S@](C)=O)CCC2)c1 1722310344 URMHEPBWVVHMRK-ASPBEGMCSA-N 469.611 2.530 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722320665 GRLLJZCOHKLEHY-IBGZPJMESA-N 470.643 2.763 30 10 JFEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722341244 BHTLRYGMHJYSCD-JENIJYKNSA-N 458.607 2.769 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722358909 NODXJSRNNVKOPA-DYESRHJHSA-N 489.617 2.766 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722363394 SERIAQLMYCJWST-LJQANCHMSA-N 487.601 2.502 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1722371872 ZGXIUYSFWTVCJO-SFHVURJKSA-N 458.584 2.683 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722372161 QNGWDVLWFFPYDU-QGZVFWFLSA-N 470.517 2.869 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cn(C2COC2)nn1 1722373468 NMXAYVSNXDEGAQ-SFHVURJKSA-N 479.972 2.972 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1722429525 RZXYRUJMOJSUDI-RPWUZVMVSA-N 467.614 2.549 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCSCC2)CC1 1722432232 XJGVKJZCCLFPMG-LJQANCHMSA-N 475.062 2.876 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)C(C)C)CC1 1722453048 VTIWXYTXEHKREV-UHFFFAOYSA-N 479.448 2.717 30 10 JFEE C#CCSCCn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722464074 UOIAWQFSLBFCFY-QHCPKHFHSA-N 458.632 2.803 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN(CC)[C@H](C)C1 1722725618 PHAYGXXANGKAKI-MRXNPFEDSA-N 482.448 2.839 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCC1 1723777534 GDLRPIMDVPSESV-QFIPXVFZSA-N 464.662 2.865 30 10 JFEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1)N(C)C 1723821863 FCSFDUWDVWZJSJ-YPAWHYETSA-N 464.662 2.762 30 10 JFEE C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C(=O)OC(C)(C)C 1723842351 BULDOZUNRSNRAU-ICSRJNTNSA-N 496.616 2.631 30 10 JFEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1726770625 DRVKQIOZHDYPRQ-DLBZAZTESA-N 452.588 2.820 30 10 JFEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1(N(C)C)CCOCC1 1727602056 CPIMLNGSRAUWKZ-UHFFFAOYSA-N 458.010 2.803 30 10 JFEE COC1(CCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCC1 1729935839 HYYMMLWESRKSHU-UHFFFAOYSA-N 472.615 2.636 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1740553436 VVTWXWGRDLVJHR-PEJQNEDZSA-N 455.578 2.736 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(N(C)C)CCCC2)c1 1740563790 XQONEXPNUIRMQQ-UHFFFAOYSA-N 458.570 2.666 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740595665 IUSFLGYXLLNXOZ-UHFFFAOYSA-N 498.609 2.527 30 10 JFEE 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30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1741801845 CZEWRPXFKDZALQ-ICSRJNTNSA-N 456.616 2.957 30 10 JFEE CC[C@@H]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1744852820 CKHUDLCMAKKMFN-HOJAQTOUSA-N 472.615 2.750 30 10 JFEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CCN1CCOC 1745336051 BHLIDFHSLAONFB-QFIPXVFZSA-N 462.602 2.844 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748809240 QOPUZGUHZVRZQP-HXUWFJFHSA-N 497.621 2.967 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)c1ncc(C)s1 1748876439 GDJCAPBTSRSXGG-KRWDZBQOSA-N 457.567 2.952 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)ccc1OC(F)F 1748959946 BGHSXKMMEAMWOB-HNNXBMFYSA-N 453.877 2.618 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN(CC)S(C)(=O)=O)CC1 1748982690 ABLLGNXKIVNWNB-UHFFFAOYSA-N 499.468 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCC(C(F)(F)F)CC2)CC1 1749001112 IRTRMWJRZBGCIG-UHFFFAOYSA-N 494.562 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C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cl)=C(Cl)C1 1749104027 KCFBCAGEZSQSTC-SNVBAGLBSA-N 456.193 2.988 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)CCC)CC1 1749120029 ZOZYCTMPNSCQDR-AVRDEDQJSA-N 481.601 2.792 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749132027 XIZHFRRMPDVJGU-MBSDFSHPSA-N 468.602 3.000 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1749294345 XEGGVFVHYALFSV-INIZCTEOSA-N 477.338 2.991 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749650683 FJQFQQCTEUARDO-SIKLNZKXSA-N 479.585 2.649 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C(C)C)C1 1749652318 LEWFUDQGZKUMER-INIZCTEOSA-N 467.437 2.926 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1749694021 NZSAOQNWKRNSNE-OTWHNJEPSA-N 451.637 2.561 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OCC 1760111344 ZEVPEZLUGYIUAO-INIZCTEOSA-N 453.572 2.538 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1760144227 ISLHXESLQMMOMU-IBGZPJMESA-N 479.610 2.910 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1CC 1760175639 OEKVJJUSUWWECY-FQEVSTJZSA-N 471.606 2.563 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760185351 WAXHPKKREGZAPI-OAQYLSRUSA-N 455.628 2.836 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1760187608 XCWBINHMPAAQOD-HXUWFJFHSA-N 485.997 2.601 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760357717 MQHGXTGVQCZZFP-MSOLQXFVSA-N 478.619 2.663 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760369168 GVNHYVCNMONHJT-VGOFRKELSA-N 468.005 2.948 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ncccc2F)CC1 1760518080 IDRJDVFNKKTWRO-UHFFFAOYSA-N 473.915 2.901 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(F)(F)CC1 1760523792 HSBXEQJKJMHABW-UHFFFAOYSA-N 468.549 2.930 30 10 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C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1CC 1540880793 QPGANKYNEJNGIZ-CBQOVEMMSA-N 489.642 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540907046 KCIFPNGOWAYYIL-GOEBONIOSA-N 450.527 2.768 30 10 JFEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540919962 JXQMYNVANQADMD-GOSISDBHSA-N 454.593 2.929 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCOCC2)c1C 1542037878 AIRIKAVJNOIKOB-NHCUHLMSSA-N 468.602 2.875 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)C1 1547809951 BZCHYHYVYKVGFQ-JOCHJYFZSA-N 495.628 2.767 30 10 JFEE CNC(=O)[C@H]1CN(C(=O)CCc2ccccc2OC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367804 OOTUCVRAWYWYQC-HXUWFJFHSA-N 474.483 2.982 30 10 JFEE CC(=O)N(c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1)[C@@H]1C[C@@H]1C 1556731556 XTFFQKILYDJCGA-MGPUTAFESA-N 454.552 2.905 30 10 JFEE CNC(=O)c1cc(Oc2ccccc2NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccn1 1562435133 AFEMVGVIOLGZJK-UHFFFAOYSA-N 457.494 2.854 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)CC1 1565590372 YURYBKDBVDSPNW-UHFFFAOYSA-N 454.596 2.669 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1587568626 REINIWWWQUBWDH-DFBJGRDBSA-N 469.586 2.778 30 10 JFEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1588002960 KARZIYNEEXWECF-GOSISDBHSA-N 450.612 2.972 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588020840 ZMIYALCPQCCRGR-SYYKKAFVSA-N 452.603 2.935 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588069191 JHPPUVLWDIDUDK-XUZZJYLKSA-N 456.612 2.505 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(=O)NCC)CCC1 1588134337 WUFROJAJPGJITH-UHFFFAOYSA-N 482.629 2.772 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(C)(C)COC)CC1 1588806569 VKWUWFVMNVAITN-UHFFFAOYSA-N 477.613 2.664 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(OC)c1 1589496790 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C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1595497058 OQHWOOOCMYNKIH-SFHVURJKSA-N 481.488 2.737 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1595577663 ZZMYGDQWNBZNCL-PKOBYXMFSA-N 464.595 2.954 30 10 JFEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1595640459 YEOVVDLBKJEBNL-IBGZPJMESA-N 494.621 2.845 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2COCCO2)C1 1595744011 ISNRIWYSELRLBZ-OALUTQOASA-N 479.375 2.816 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1595766092 MAYYVMXZQHJRLA-ZBFHGGJFSA-N 486.436 2.651 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1595784055 ATEFASBZDGQIHK-UHFFFAOYSA-N 482.610 2.615 30 10 JFEE CCCN(CCC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1614755890 ADIMLTRKGZKXRJ-OAQYLSRUSA-N 451.575 2.970 30 10 JFEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)(F)F)CC2)c1=O 1615727104 DRTUAYSKVVFLCM-UHFFFAOYSA-N 471.487 2.731 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCC(C)CC1 1617291236 HHHWFDGQLSEJGZ-LJQANCHMSA-N 458.632 2.808 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cc(C)oc1C 1619899746 GQWOVRAAVVBQBO-NVQXNPDNSA-N 492.580 2.871 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)COc1ccccc1Br 1635490410 ASHADUJTOVEKEN-ZBFHGGJFSA-N 455.349 2.612 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 1635832856 PULCGBNCKUKRGU-QGZVFWFLSA-N 455.454 2.672 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(N(C)Cc3ccccc3)CCOCC2)c1 1637619408 PPSYPADPVRQIES-UHFFFAOYSA-N 457.596 2.562 30 10 JFEE C#CCN1CCN(C(=O)CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)CC1 1642250683 WIOSNZIMBXKYMK-UHFFFAOYSA-N 458.912 2.785 30 10 JFEE C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1645924723 FUEBXNRXIJDTDW-PXNSSMCTSA-N 459.506 2.957 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CN(CC(C)C)CCO1 1689833608 NKPYXRCEHRNNOW-FUHWJXTLSA-N 463.424 2.861 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnccc1OC 1690052992 VVYZNXYITCNDRV-UHFFFAOYSA-N 483.620 2.558 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCOCC1 1690088726 UWROFMVGOQTECM-UHFFFAOYSA-N 451.502 2.874 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1690110793 ZRYQQDIRUYIGAI-GOSISDBHSA-N 457.529 2.896 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1690113569 NITNTJDKPOKRQQ-QHCPKHFHSA-N 495.958 2.989 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1690135033 OSUOPJKRVKCOJZ-NRFANRHFSA-N 499.015 2.521 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccnc(C)n2)CC1 1690165688 HCUBLRLDQKRLKQ-UHFFFAOYSA-N 479.610 2.754 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690177135 KVBFIUQWBHTDKM-GOSISDBHSA-N 482.075 2.654 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCc1ccc(OC)cc1 1690206347 OHLBFPZULMLEGD-GBXCKJPGSA-N 472.611 2.788 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690311451 LCKIKLHAWCCYGD-HKUYNNGSSA-N 463.604 2.610 30 10 JFEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690499847 BYLGEAYYIZYHTD-SFHVURJKSA-N 475.391 2.856 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCO1 1690624446 RJHNCTGHGVENAM-OALUTQOASA-N 465.595 2.794 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnc(C)s2)C1 1690688459 VSKPLYIZUWZZRH-GOSISDBHSA-N 488.639 2.790 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2CCCO2)CC1 1690720066 ZIFBKZCBDMJGIF-OAQYLSRUSA-N 490.626 2.959 30 10 JFEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1694858723 GYPCHRXGCUETFF-UNMCSNQZSA-N 486.642 2.617 30 10 JFEE N#CCCN(CC1CC1)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1698493815 AUXCLXSOXLRBQB-UHFFFAOYSA-N 473.375 2.696 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(OCCOC)CCOCC1 1705479410 IHRBNNABKNKZPE-MRXNPFEDSA-N 480.407 2.716 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)cn2)c1 1705507493 CXABLJDJJTUJAC-UHFFFAOYSA-N 472.528 2.778 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705534914 VRNARKIKZWKNGN-UXHICEINSA-N 486.617 2.591 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2[nH]c(C)c(C)c2c1)[C@H]1CCS(=O)(=O)C1 1705561493 UMBKMCIRVSKZAS-FPOVZHCZSA-N 499.637 2.775 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705565520 VMLDYIZYSWGVNL-FQEVSTJZSA-N 473.643 2.897 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705570498 NWZCDHPOGKJNIL-HSZRJFAPSA-N 480.638 2.708 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(=O)N(CC)CC)cc1 1705580951 PVANGTYRDUTBRO-UHFFFAOYSA-N 472.549 2.609 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NCC)CC1 1705696393 NNTSADBOMIDWSY-PGRDOPGGSA-N 484.601 2.795 30 10 JFEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1 1705737371 PJFDUUBNUXLRDB-WOJBJXKFSA-N 478.638 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C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286784267 BVAAADPTHLBLRA-UHFFFAOYSA-N 494.353 2.545 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](OCCC)CC1 1286790388 QYEGZARWLWXCPY-HXUWFJFHSA-N 451.575 2.604 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(CS(C)(=O)=O)CC2)C1 1286803908 HIKNYLMLCLLZJG-MRXNPFEDSA-N 451.980 2.600 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCOC[C@@H]2C)C1 1286812900 PSNIMRDEOAXFTD-VXKWHMMOSA-N 455.603 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286819998 BIYDGGBZUPYIBQ-UHFFFAOYSA-N 467.039 2.843 30 10 JFEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@@H]2C)CC1 1286871458 OOUAKIYPFSLHOL-OFVILXPXSA-N 493.656 2.748 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC[C@H]1CCCCO1 1288775759 GRYVDYWGULXZJL-FXAWDEMLSA-N 460.604 2.746 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1295481852 BHMGCIHVBZPYOC-RBBKRZOGSA-N 479.629 2.622 30 10 JFEE 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C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1540856063 QGOYMSCBORTTHT-QGZVFWFLSA-N 459.547 2.878 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1540879668 LCMXGUSEUCXFGR-TZIWHRDSSA-N 488.658 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1540898327 HAVPBXODXTXYQD-MRXNPFEDSA-N 494.614 2.575 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1540902852 SDYVAWPXZBIOLM-SCTDSRPQSA-N 466.629 2.801 30 10 JFEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nccn1-c1ccccc1 1568172577 CBCXJWBNBKPDOP-IBGZPJMESA-N 451.552 2.642 30 10 JFEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1587746216 MNKSALXOOGBSDX-DEOSSOPVSA-N 450.543 2.572 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1587803498 CQYSCHLQRPAWFK-GOSISDBHSA-N 471.005 2.968 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588034229 BSUPTPKIWIFHAK-OALUTQOASA-N 491.411 2.679 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588060034 YCWZAMCMWZTBIY-KRWDZBQOSA-N 478.565 2.733 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCC=C 1588233201 CVDXGVYIAGDIJG-HXUWFJFHSA-N 457.575 2.642 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(OC)c1OC 1588251293 PDUHCRQXXNPMDZ-UHFFFAOYSA-N 463.563 2.798 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC(F)(F)CO1 1588580942 ACNVREAGRAJDBM-CQSZACIVSA-N 458.307 2.556 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2(C)C)n1 1588697183 QTZNKNABPATKCO-LJQANCHMSA-N 485.658 2.529 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC(F)F)CC1 1588812156 PWTYSERLLPBIGY-LJQANCHMSA-N 496.603 2.820 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1588848925 RATKQYJPMHENGL-UHFFFAOYSA-N 482.629 2.890 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(=O)NC 1589481749 BZDCLXDJOOXREQ-RXVVDRJESA-N 454.575 2.701 30 10 JFEE 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2.987 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@@H](C(F)(F)F)O1 1612977326 CWJSFXJJZJONGP-RKVPGOIHSA-N 452.481 2.835 30 10 JFEE C#C[C@@H](NS(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1)c1ccc(Cl)cc1F 1622123342 KXCMMYZEVHEFKS-LJQANCHMSA-N 458.964 2.961 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)s1 1625721064 GVADLUBJVLJYSZ-GASCZTMLSA-N 457.618 2.611 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1628848444 QIOGZTFVGYDKFB-SFHVURJKSA-N 457.015 2.569 30 10 JFEE C#CCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331057 KYWDAJJXQYOOJL-HXUWFJFHSA-N 456.499 2.949 30 10 JFEE C=CCn1c(SCC(=O)N2CCN[C@H](c3cnn(C)c3)C2)nnc1-c1ccc(Cl)cc1 1642152502 XRBYKZRGRCEROA-SFHVURJKSA-N 457.991 2.783 30 10 JFEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CO)c2ccccc2C(F)(F)F)CC1 1654884728 CDKKATFMULAGLW-ROUUACIJSA-N 452.502 2.799 30 10 JFEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1Br 1661250925 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C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722519837 NUQLSOJVSPYUIJ-GOSISDBHSA-N 458.538 2.708 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722553435 RKMRRYAIAULTIA-LJQANCHMSA-N 470.643 2.898 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722555454 BSTTVNCAXUBCEO-UHFFFAOYSA-N 489.020 2.753 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722621261 YBUXTUDKCBBNCW-NHCUHLMSSA-N 466.586 2.987 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722625759 XDKRDIPVVALWSN-UHFFFAOYSA-N 473.021 2.936 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1722699092 RGVROOHOAYBIGA-VAMGGRTRSA-N 488.633 2.604 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2nccs2)C1 1722701926 HVDRPSUKHQCPNW-SFHVURJKSA-N 454.556 2.502 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2cccs2)CC1 1722728902 CBIRVNLHYSHFAB-UHFFFAOYSA-N 492.696 2.618 30 10 JFEE 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CCCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 2297745293 YIQUXCCUHNDEHY-QHCPKHFHSA-N 466.534 2.935 30 10 JFEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cc(OC)ccc1OC 2326823189 XITMUIDDBZZCFJ-UHFFFAOYSA-N 471.539 2.733 30 10 JFEE CCOc1cc(C=Nn2c(SCC(=O)OC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 2327884438 QIDGXJBHNZFRSJ-HNNXBMFYSA-N 475.571 2.644 30 10 JFEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)OC1(C)C 2337397268 ZBEPNCIWZBPSHV-IRXDYDNUSA-N 463.359 2.938 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2362464284 GCSQFEIJBFGIDE-HSALFYBXSA-N 494.401 2.639 30 10 JFEE Cc1cccc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2380499204 MICTVLGRCWZCBO-UHFFFAOYSA-N 456.352 2.716 30 10 JFEE O=C1/C(=C\c2ccc(Br)cc2)Oc2c1ccc(O)c2CN1CCN(CCO)CC1 19371059 ALWNETSKTSQGRI-DEDYPNTBSA-N 459.340 2.881 30 10 JFEE N#Cc1c(NC(=O)CSc2nnc(N/N=C/c3ccccc3)n2N)sc2c1CCCC2 20291770 LFLGQZDNHILROR-FOKLQQMPSA-N 452.569 2.981 30 10 JFEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)cc1 20527585 MDTAAEWMTOSEMZ-SSDVNMTOSA-N 489.403 2.997 30 10 JFEE C#CCN1C(=O)S/C(=C\c2cc(I)c(OCC(=O)OC)c(OC)c2)C1=O 33436744 ZIVBDJLENYFDSM-JYRVWZFOSA-N 487.271 2.521 30 10 JFEE C=CCN1C(=O)N[C@@H](c2cccc(C)c2)C2=C1CN([C@H](Cc1ccccc1)C(=O)NCCOC)C2=O 35965611 KQTSQNHLYAUGHA-RDGATRHJSA-N 488.588 2.718 30 10 JFEE COc1cccc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)c1 58996451 JUJWMWYERQQMMW-FSJBWODESA-N 456.528 2.685 30 10 JFEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)N(Cc3nnc(CC)o3)C(C)C)n[nH]2)c1C 59831488 SOGMVFVTLUYUQM-LSHDLFTRSA-N 486.606 2.725 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2F)cc1F 102755513 KIBDQQAOBQBVDD-SADKCHQCSA-N 458.461 2.727 30 10 JFEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1 103106434 HERJYNZFNCLJBH-VFJWVMJUSA-N 454.498 2.978 30 10 JFEE COC(=O)c1ccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 111831649 NQKSQQLMDJJONH-DJYGDJEFSA-N 480.517 2.766 30 10 JFEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccncc2)c1 170358929 FVDBGRVBMAVMHC-OAQYLSRUSA-N 479.514 2.911 30 10 JFEE COc1ccccc1NC(=O)CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1 1084045690 BLCNYTTUXWRZOA-UHFFFAOYSA-N 457.472 2.994 30 10 JFEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cc(OC)c1OC 1084512824 ZNLFSOUTDOPSGN-UHFFFAOYSA-N 485.570 2.811 30 10 JFEE C=CC[C@@H](CO)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1137919506 NHEMEEMMIFHFFL-CQSZACIVSA-N 459.499 2.795 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N=c3nc(C)[nH]n3-c3ccc(F)cc3C)ccc2c1=O 1161860959 HXQUOSFUZHGTHV-UHFFFAOYSA-N 450.499 2.882 30 10 JFEE CO[C@@H](CS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccccc1 1212420448 FKYAYHLDIBUBPY-QFIPXVFZSA-N 451.552 2.788 30 10 JFEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)c(OC)c1Cl 1286369465 RCKFNOFAXYMMGF-UHFFFAOYSA-N 457.918 2.989 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393977 NABRXZLTIGEGPU-HCLVMJGWSA-N 477.030 2.700 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(F)(F)F 1286466965 MNQUYWIIUOJCAH-INIZCTEOSA-N 491.511 2.599 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(F)cccc2N2CCCC2)CC1 1286471690 MTVURPQGIPPLJQ-FQEVSTJZSA-N 470.593 2.545 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1286504308 PVNPEMGGTPIVGT-UHFFFAOYSA-N 463.567 2.560 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)[C@@H]1C 1286504430 QZGWKOAWMAUOKK-JKSUJKDBSA-N 464.686 2.935 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCCN1CCC[C@H]1CO 1286516111 WFJZVGCVYIEGRX-FTBPSBKWSA-N 459.635 2.548 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286611123 FETGQVZPUILZAT-FXAWDEMLSA-N 463.604 2.957 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286668209 PSBZFCCJEUVVLO-UHFFFAOYSA-N 470.618 2.775 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286669700 OVXSMZYUWHFCOH-UHFFFAOYSA-N 473.603 2.526 30 10 JFEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1286768488 NKBOAQSITGVQCQ-UHFFFAOYSA-N 467.618 2.760 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286783557 VHVYIISODLYTTJ-UHFFFAOYSA-N 490.612 2.715 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286799718 ZDDNNWTUCKANES-IZZNHLLZSA-N 483.613 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1286819489 MFMHNAMHXPCKCX-GOSISDBHSA-N 468.526 2.936 30 10 JFEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1286827771 ZXGQNZSQEVLGNI-UHFFFAOYSA-N 466.629 2.895 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1293241735 FIFRQHIBNPSWOL-LJQANCHMSA-N 481.944 2.571 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(F)c(COC)c1 1297287541 FGKIZWGDIUNAOJ-QGZVFWFLSA-N 480.548 2.525 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300384491 QLRXSRITQKAZKI-RTBURBONSA-N 468.577 2.760 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cccc(OC)c1 1300438008 CSUCSJZWBHRXMR-UHFFFAOYSA-N 471.359 2.554 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1300484058 QVCXDUGVDARQQX-RXVVDRJESA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300496367 QDZDOKPRFZYXES-MOPGFXCFSA-N 464.538 2.785 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1300512549 XPTNXMBTNDYLNN-WOJBJXKFSA-N 495.624 2.932 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1300521045 RNCHNBIBUTUUDA-XMMPIXPASA-N 486.041 2.888 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1300666023 RWHIJWMRCDHEQH-DNQXCXABSA-N 467.614 2.988 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1300682424 LJDWNLIFCLNFQG-VWNXMTODSA-N 450.631 2.929 30 10 JFEE C#CCSCCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300775857 BHDQEJAHVZVEBS-OKYOBFRVSA-N 479.647 2.655 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCCC1 1300780505 RQERTVRDALPRRZ-WIYYLYMNSA-N 451.637 2.867 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300788158 SKZQIHKIJWHWBH-APJQNUAFSA-N 480.569 2.797 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1300788815 NCWAUAVXPMHLIQ-DHIUTWEWSA-N 458.584 2.831 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1300855342 FBRAVWNKWFYOFR-RBUKOAKNSA-N 464.492 2.553 30 10 JFEE C=C(C)COCCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C 1301001897 PGJWHNIPYZEBDC-LEWJYISDSA-N 460.667 2.985 30 10 JFEE C=CCCCn1c(-c2cnccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1301219059 YPMPXEQDHMHQAT-UHFFFAOYSA-N 453.572 2.602 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1301339564 QASNCBYOQIQZIM-OAQYLSRUSA-N 457.538 2.779 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1301354543 CPOCUIZNWVYTAL-JOCHJYFZSA-N 491.614 2.515 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1301422617 QKQKLKRDLVZXFT-UHFFFAOYSA-N 493.612 2.624 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1301478385 JVCSBUSGQGRFDI-MAUKXSAKSA-N 460.604 2.527 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cccc(C)c23)C1 1301540001 YOHMJMLVSPTBSM-HKUYNNGSSA-N 472.615 2.702 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1301575838 LDFPYGJDWNEZLX-FQEVSTJZSA-N 469.567 2.607 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCSCC1 1301577743 SYQKNZUBDDUDCR-UHFFFAOYSA-N 452.602 2.506 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1302271850 BEUDUKGEIAKRRG-NRFANRHFSA-N 481.601 2.642 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1313963060 FPSXHWRFNRPLEK-NRFANRHFSA-N 467.618 2.526 30 10 JFEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1314529952 FJZJLDSXPNBJAV-QGZVFWFLSA-N 488.614 2.697 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(=O)N(C)C)CCCC1 1316098641 GFAUBGMWJNXNMM-UHFFFAOYSA-N 468.558 2.689 30 10 JFEE C#CCCCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1358918244 OVTIOOVTAYGVOB-BWKNWUBXSA-N 459.635 2.812 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959676 NPYKDKVPXKVKCH-PMACEKPBSA-N 493.077 2.987 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358965739 AHDOOYCNKSDNEL-DNQXCXABSA-N 483.682 2.955 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359049610 SMTKKWPHHPSDGF-ZHRRBRCNSA-N 459.547 2.955 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359051773 JMMIFBXISAYRPZ-IBGZPJMESA-N 460.003 2.793 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1359076512 DIOSUIWSTFQKMS-CYBMUJFWSA-N 464.430 2.581 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359089099 BHZCRQLCGCOIFJ-SQNIBIBYSA-N 470.540 2.568 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2cnn(CC)c2)CC1 1359089377 IAWZZGQNWUMEOO-PZJWPPBQSA-N 455.607 2.998 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1359093495 OIXJRSGLPUBIRP-FIKGOQFSSA-N 456.543 2.943 30 10 JFEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359127420 PTZXLOGCNPANTK-XMSQKQJNSA-N 465.554 2.755 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OCCOC)CC1 1359165191 JSJMXYNGKVXCMU-FQEVSTJZSA-N 460.600 2.719 30 10 JFEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359224136 HRXNZMUTRVWGGK-INIZCTEOSA-N 493.381 2.995 30 10 JFEE C=CCN(c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1)C1CC1 1359250610 OWDDJDXQDIGLMZ-INIZCTEOSA-N 451.618 2.675 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1359256421 FELADDFUROAKAE-BHDDXSALSA-N 484.626 2.892 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1359272367 QMULYGMKIWCMMC-QFIPXVFZSA-N 471.627 2.595 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1C 1359275350 ROXGVPDCCSRTHW-GIVPXCGWSA-N 459.616 2.502 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1359275385 SMMPXDXGQOSFKC-RTWAWAEBSA-N 491.683 2.742 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc3ccccc3s2)C1 1359313327 KEWSTFXMXQNUBO-NVXWUHKLSA-N 461.613 2.933 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359332545 AFMXZBYSCGWTHS-QGZVFWFLSA-N 496.580 2.522 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1359333752 IOMSRQFXCGXYTH-NRFANRHFSA-N 489.548 2.721 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359334544 JLCSFASMUMHMSR-PMACEKPBSA-N 461.632 2.685 30 10 JFEE CC(C)(C)[S@](=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1359587788 BRRPVJNDKPCVCF-HYJWCJBQSA-N 453.572 2.611 30 10 JFEE COC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)[C@H](C)C2)cc1 1361029339 GUHVAPBRTGHYDX-MRXNPFEDSA-N 451.527 2.595 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(N4CC[C@H](N(C)C)C4)cn3)ccc2c1=O 1446398676 QBXFNWSGFWCUAZ-KRWDZBQOSA-N 450.568 2.659 30 10 JFEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ncc(Br)cc1I 1457919362 WZOATHZNFXQLSB-LLVKDONJSA-N 452.090 2.858 30 10 JFEE Cc1nsc(N2CCN(C[C@@H](O)COc3cc(F)cc(Br)c3)CC2)c1C#N 1460172030 CNZALFFMDYIWBN-OAHLLOKOSA-N 455.353 2.787 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cc(Br)cc3nc(O)[nH]c23)C1 1466736283 IAQCHLIQMHJIRO-ZANVPECISA-N 450.293 2.520 30 10 JFEE C=C(C)C[C@@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1)C(=O)OC 1471123424 DZPQFKMYUQISPE-XJKSGUPXSA-N 453.333 2.541 30 10 JFEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccccc1F 1497324053 GYAOMGMPVVRTCK-GCKMJXCFSA-N 465.526 2.619 30 10 JFEE 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30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1705560098 IKEBYRKQBIPCID-GOSISDBHSA-N 489.608 2.867 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705562412 BNWVZPBWLUIGKE-QGZVFWFLSA-N 462.000 2.924 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1705563244 TXMDAUGXUYMUTE-LJQANCHMSA-N 450.992 2.778 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705563735 DLWQHMQCOCGEHT-PZJWPPBQSA-N 484.626 2.586 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705571552 AUILNAAAORQMIW-LNRXMEIDSA-N 477.675 2.514 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1705636431 JTJMGTVWIOWKQX-SFTDATJTSA-N 466.630 2.838 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCOc2ccc(C)cc2)CC1 1705648344 ROPUVZHLECIOMA-JOCHJYFZSA-N 465.598 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)c2ccco2)CC1 1705650935 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461.931 2.705 30 10 JFEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OCC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 2331675955 UGDYHZGVOJKJDR-IBGZPJMESA-N 471.583 2.867 30 10 JFEE Cc1nc(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2334263634 XQVDTFZSGVWIFN-SOUVJXGZSA-N 463.409 2.878 30 10 JFEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2336392998 VMPFPZIWPMFTKU-IBGZPJMESA-N 473.351 2.817 30 10 JFEE C=CC1(N[C@@]2(C(=O)O)CN(Cc3ccccc3)[C@@]3(CCOC3)C2)CN(C(=O)OC(C)(C)C)C1 2349769277 DUINWSZELDAWMX-LOSJGSFVSA-N 457.571 2.640 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1(C)C 2362349099 WCKUDZOZBULMSM-LJQANCHMSA-N 452.408 2.750 30 10 JFEE CC[C@@H](C)Sc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)s1 20424263 IFOXHKDDKOZKTE-PXWMTNQWSA-N 466.622 2.766 30 10 JFEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCOC)ccc1O 35002989 RPGCJIMJYDHAIW-NRFANRHFSA-N 455.463 2.787 30 10 JFEE COc1ccc(OC)c2sc(N3CCN(CCNC(=O)c4ccc(C#N)cc4)CC3)nc12 38776844 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483.613 2.844 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1740588901 JDBKEKPOCSKWDN-SFHVURJKSA-N 461.570 2.741 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740620599 QUYSWMFYXXRRRJ-BSWQBHCVSA-N 481.622 2.917 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1740623020 MVVPYYULCXLZLG-OALUTQOASA-N 457.600 2.519 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1740626295 TWPUDEHIMWXVFY-FQEVSTJZSA-N 456.612 2.940 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740629066 ZNTYWWVFGVJLLK-ZJPYXAASSA-N 463.604 2.558 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740649870 GKGIOIVXCLUKIV-OAQYLSRUSA-N 465.561 2.948 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCC(C)CC1 1740681053 WRDJOMYWHUNVGP-UHFFFAOYSA-N 463.424 2.864 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)NC)CC1 1740712960 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C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1748804745 KMNZXEYZVDIIOA-PZJWPPBQSA-N 455.628 2.871 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748809043 PJMMLZHZDJDDCX-QUCCMNQESA-N 459.616 2.594 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCc1c[nH]c2cc(F)ccc12)[C@H]1CCS(=O)(=O)C1 1748817152 FYQGIPUWOYWOOQ-IBGZPJMESA-N 457.575 2.966 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1748953714 SEQBWGKBEWVNDD-VWLOTQADSA-N 469.655 2.801 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCN2CCCCC2)CC1 1748979490 BKNUBTMMMAQELM-UHFFFAOYSA-N 498.697 2.760 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](SC)C(C)(C)C)CC1 1749020317 PFSXYWVWVBHLQM-UFYCRDLUSA-N 477.675 2.746 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749028067 YNSVMLIGIYIGBX-UHFFFAOYSA-N 463.611 2.911 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749109250 GKEBPOXGINFIQC-KRWDZBQOSA-N 465.396 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCOC)CC1 1749121305 LYJOYMYFQJLZPD-CTNGQTDRSA-N 457.575 2.807 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCCCO 1749128064 RFQSSBYANIQCBL-XMSQKQJNSA-N 466.586 2.772 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1749385713 TZIGOCDRIMRUGG-MDNUFGMLSA-N 485.654 2.845 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1749429919 FZXDEOZGQZTFSH-IBGZPJMESA-N 462.595 2.658 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749459406 JALYKPFDOOIZAL-UHFFFAOYSA-N 469.615 2.756 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1749531031 CHQXNEHLTKPQPC-QFIPXVFZSA-N 468.627 2.730 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749660493 QYQIJOHKQRVAJE-IBGZPJMESA-N 461.570 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cscn1 1749730423 DBOBPZMGYGNQTP-UHFFFAOYSA-N 469.596 2.825 30 10 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C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760247059 NHJFUXXJQYHLLZ-FQEVSTJZSA-N 465.520 2.857 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CC=CCO2)CC1 1760273588 ZDDLOEQTSIQTID-OAQYLSRUSA-N 479.581 2.567 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1760299187 LQRSWPNLSOZGEU-FDDCHVKYSA-N 477.631 2.943 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCCOC)CC1 1760313406 NTIHGEUSQWWLBL-WIYYLYMNSA-N 470.574 2.538 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1760351716 KMVOPBKBVAJXTD-VQIMIIECSA-N 484.022 2.712 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1760380951 UEXVINQVBVOUCQ-RDJZCZTQSA-N 468.027 2.885 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C(CC)CC)no2)CC1 1760389266 HCYFMXNCHJVFNT-FQEVSTJZSA-N 478.619 2.707 30 10 JFEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1760434724 KQYRKWSPYOBBBV-MRXNPFEDSA-N 452.328 2.764 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1760441184 ZWHHYHCGWGDHTK-TZIWHRDSSA-N 471.627 2.793 30 10 JFEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760452160 GKIFNGPAKGGHAK-KNQAVFIVSA-N 472.659 2.512 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1760505226 OUOCYNKULCTDJN-MOPGFXCFSA-N 463.579 2.570 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1761439395 DCHGAQIDQRQKQV-LPHOPBHVSA-N 451.531 2.706 30 10 JFEE CCCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)c(C)n1 1764142580 BZRRIEDYGYQSRB-GOSISDBHSA-N 476.585 2.749 30 10 JFEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1765438733 BYFWYXFZUMIPDK-VWLOTQADSA-N 476.585 2.883 30 10 JFEE CCS(=O)(=O)NCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1766722650 HIRMYAPFNFOTHT-IBGZPJMESA-N 481.420 2.777 30 10 JFEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC(F)(F)F)CCO1 1771535905 CNDAQAAOXRDJNL-HNNXBMFYSA-N 456.856 2.933 30 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454.508 2.725 30 10 JFEE N#Cc1nnn(-c2cccc(Br)c2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870099350 ALXYXDNJRQWMCJ-UHFFFAOYSA-N 461.257 2.549 30 10 JFEE C=CCn1cc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c(=O)cc1CSc1nnnn1C 1870226363 FLRJVWYPPFGXOH-UHFFFAOYSA-N 495.590 2.991 30 10 JFEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870568692 GHQQKUJLYYFBOO-UHFFFAOYSA-N 464.607 2.608 30 10 JFEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN(CCO)CCCC 1870585352 UFPAXTFLSGPEII-UHFFFAOYSA-N 476.599 2.614 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870734249 IZVSECNGEOEKRP-UHFFFAOYSA-N 472.973 2.711 30 10 JFEE COC(=O)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCc2nc(O)c3ccccc3n2)cc1 1874434702 SUMVZLCLPVRRMZ-OPEKNORGSA-N 491.533 2.524 30 10 JFEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 1891582442 UVFJKHJDWKTJKD-UHFFFAOYSA-N 476.278 2.639 30 10 JFEE N#Cc1nnn(-c2cc(Br)c(I)c(Br)c2)c1N 1946432246 HSCFMDCEWLATAF-UHFFFAOYSA-N 468.878 2.851 30 10 JFEE C=CCC1(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 2080667533 XJIYFSQJJYGHDC-UHFFFAOYSA-N 453.580 2.820 30 10 JFEE N#C[C@H]1CCN(S(=O)(=O)Nc2ccc(I)cc2Br)C1 2108281475 YOGJMHSCYZROJL-MRVPVSSYSA-N 456.103 2.556 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2124180561 NOSOWKYZGYRTSU-KSZLIROESA-N 468.595 2.698 30 10 JFEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 2137186583 ZRNZMJJYOQDYKM-HSZRJFAPSA-N 450.385 2.929 30 10 JFEE CO[C@@H]1C[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)N(C(=O)OC(C)(C)C)C1 2185168369 ZCPFCWSIURXCMU-MOPGFXCFSA-N 460.380 2.626 30 10 JFEE C=CCN(CCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2230858365 JHSCVMIWPBKLTF-RMJJICAUSA-N 467.607 2.780 30 10 JFEE C=C(CS(=O)(=O)N1CCC[C@H](NC(=O)OCc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2246172480 RJUSZOQQPXTQDF-IBGZPJMESA-N 464.393 2.895 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2255630752 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CO[C@@H]1C[C@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2267289365 OKEGWOQWGCFLCM-HZPDHXFCSA-N 466.409 2.802 30 10 JFEE C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267365039 JIGNLNXNWMNEAQ-QGZVFWFLSA-N 462.396 2.924 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 2267466979 JUYZPBMDBJMMIB-CVEARBPZSA-N 468.425 2.874 30 10 JFEE CC1(C)OB(c2scnc2CS(=O)(=O)N(Cc2ccccc2)Cc2cc[nH]n2)OC1(C)C 2267472196 ZLGQOHPCGHXXDB-UHFFFAOYSA-N 474.417 2.698 30 10 JFEE Cc1nc(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267485460 LGAGIFQBZXKXRW-JOCHJYFZSA-N 463.409 2.976 30 10 JFEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267720323 JPIGNUSKSGGGBK-RDJZCZTQSA-N 466.409 2.520 30 10 JFEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268656198 UGKGBLIQNICZEX-MRXNPFEDSA-N 468.425 2.936 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268656307 VSXFAVUAONEYGY-ZBFHGGJFSA-N 465.425 2.952 30 10 JFEE CC1(C)OB(c2cc(F)ccc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2281760406 SLBDXTUXYDURMU-FGZHOGPDSA-N 498.360 2.939 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)cc2F)OC1(C)C 2281777025 ZXKSLWPVVSTMKT-HXUWFJFHSA-N 498.360 2.892 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCO1 2281941989 FWFHMPJOPJDASA-DLBZAZTESA-N 460.380 2.788 30 10 JFEE CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1 2281968643 YCVNLFXIJMQJDL-UHFFFAOYSA-N 462.400 2.629 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](C2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC2)C1 2281981002 FHGJNGIFSQFIHW-HNNXBMFYSA-N 460.384 2.618 30 10 JFEE CC1(C)OB(c2cccc(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)c2F)OC1(C)C 2282146229 WMBMJGUUZTUHSS-LJQANCHMSA-N 498.360 2.892 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282189287 HYLBOJAYZLPTNN-RBUKOAKNSA-N 457.380 2.995 30 10 JFEE C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282354513 RHUMSKDVLRRTBX-AEFFLSMTSA-N 480.436 2.910 30 10 JFEE CC[C@]1(NC(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282548138 VKRBEKIPXXYMRQ-QFIPXVFZSA-N 482.818 2.892 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2282582384 VXZDCHKDZYKSRW-DLBZAZTESA-N 460.384 2.713 30 10 JFEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@H]3CC[C@]32CNC(=O)C(F)(F)F)OC1(C)C 2282625817 ZXCNLBPDOXIVMN-BUXKBTBVSA-N 473.326 2.506 30 10 JFEE CON(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282793089 WZEZWQIUUBXRPK-INIZCTEOSA-N 462.352 2.704 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)c(O)c2)OC1(C)C 2282815929 GBYOUXSIPQHFTI-LEWJYISDSA-N 496.369 2.505 30 10 JFEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282864662 JFELZDXAELKZMC-IRXDYDNUSA-N 480.436 2.910 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@]2(CCOC2)C1 2283033792 KZYSKUZURZFUDJ-GYCJOSAFSA-N 459.396 2.831 30 10 JFEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)COCC1(C)C 2283946058 JDOFVPKTPLQCSM-INIZCTEOSA-N 461.368 2.734 30 10 JFEE COCCN(CC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21)C(=O)OC(C)(C)C 2283948729 QFEKDAZKGIKBJV-UHFFFAOYSA-N 460.380 2.758 30 10 JFEE COc1ccc(NC(=O)[C@@H](CCNC(=O)OC(C)(C)C)OC)c(B2OC(C)(C)C(C)(C)O2)c1 2283974821 ZRDNFISTBPBEEV-GOSISDBHSA-N 464.368 2.863 30 10 JFEE Cc1nc(NC(=O)CC(F)(F)CCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283983997 QSERQFHIPBWVIO-UHFFFAOYSA-N 470.326 2.963 30 10 JFEE Cc1cc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C2COC2)sc1B1OC(C)(C)C(C)(C)O1 2284036102 YHUKZEVPSMUZIZ-KRWDZBQOSA-N 480.436 2.854 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)[C@H]1CCOC1 2284059442 TYNFYTOBJVHLEU-KBXCAEBGSA-N 464.343 2.993 30 10 JFEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284425124 SAQNKTYLPVTSEX-YWZLYKJASA-N 457.307 2.913 30 10 JFEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccccc1 2297744671 KZHAGSJXNBGQMD-QFIPXVFZSA-N 484.574 2.929 30 10 JFEE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)n1 2325489648 CZPWYYFMTVIQDN-UHFFFAOYSA-N 467.463 2.715 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1O 2327808758 ODVXADJAOOLDMH-KRWDZBQOSA-N 472.615 2.941 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)C2(CCC2)C1 2362461991 NICHXWVWUWVUEU-UHFFFAOYSA-N 450.392 2.600 30 10 JFEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCOCC1 2362561280 DDRLCQHMIDQUEU-UHFFFAOYSA-N 481.424 2.588 30 10 JFEE COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2364200791 XUHRHHOUGFNYLA-CMJOXMDJSA-N 464.368 2.723 30 10 JFEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2379899908 ROLDNFAHWUOSFK-UHFFFAOYSA-N 469.338 2.659 30 10 JFEE CCOc1ccc(CCNC(=O)c2cccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 9530076 BKUHMDTVIOLVJL-UXHICEINSA-N 459.593 2.547 30 10 JFEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C 102494945 RNVPLSOQLGPWDT-LAGVDGIJSA-N 499.564 2.809 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](Cc3ccccc3)CN(C)C)nnc12 108561519 VJJZAXHDXCFULQ-LJQANCHMSA-N 476.606 2.611 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCN(c4ccccn4)CC3)nnc12 117129975 HESFSXQHHCGHKT-UHFFFAOYSA-N 475.578 2.503 30 10 JFEE CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](/N=C/C=C/c3ccco3)c3ccccc3)C(=O)N2[C@H]1C(=O)O 223519905 TZEVAHYRWQXDMN-ORFVDONXSA-N 453.520 2.737 30 10 JFEE COc1cc(C=Nn2c(=O)c(C(C)(C)C)nn3cnnc23)ccc1OC(=O)c1ccccc1OC 254288274 KZCLYAOBYBVPDA-UHFFFAOYSA-N 476.493 2.702 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1ccc(Br)s1 504584992 KUEGSRDRNZDGRX-UHFFFAOYSA-N 474.358 2.912 30 10 JFEE CCC(=O)N[C@H](CCSC)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 520500786 DNYVQHXDKFCGBU-QZTJIDSGSA-N 467.433 2.806 30 10 JFEE CC(=O)Nc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 586508518 XWDREQHOWOXRHV-UHFFFAOYSA-N 461.496 3.000 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2(N3CCCCC3)CCCCC2)CC1 616172339 UENNRQJHCGTNPG-UHFFFAOYSA-N 473.643 2.763 30 10 JFEE C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1=S 874065925 CFAUZQOVXNRGTF-SFHVURJKSA-N 457.600 2.804 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)cc2C1=O 918610780 SNEZEXSXGFFNDZ-QQTULTPQSA-N 466.519 2.534 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)COc1ccc2c(c1)CCC(=O)N2 928984516 AYAHLIGTHVLVIS-MRXNPFEDSA-N 451.479 2.837 30 10 JFEE COc1ccc(OC)c(C=NNc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)c1 1084003348 OZTMQNUPVCESSE-UHFFFAOYSA-N 469.527 2.957 30 10 JFEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)c(O)c1 1084041388 WJUGHCFYVVHGQA-UHFFFAOYSA-N 499.557 2.629 30 10 JFEE CCOCCCn1c(=C(C#N)C(=O)c2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 1116001114 SMUCPVOOLKCWRW-UHFFFAOYSA-N 472.570 2.679 30 10 JFEE Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1136456334 DAEGGUYEKKRLST-QGZVFWFLSA-N 458.609 2.721 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)CC1 1136632655 FVXVYYKSKDXWKV-UHFFFAOYSA-N 456.587 2.819 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 1170442499 GGFROSGLOZIKEP-OFNKIYASSA-N 478.659 2.969 30 10 JFEE Cn1cc(CNCc2cccc(NC(=O)CCN3CCOCC3)c2)c(-c2ccc(C#N)cc2)n1 1177333806 GSBZPUYORZWISN-UHFFFAOYSA-N 458.566 2.909 30 10 JFEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@@H](C#N)C1 1198510775 HOLBFAUKWUCCNC-NSHDSACASA-N 465.757 2.631 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1214687145 NFPIQTYNGKYLFY-IBGZPJMESA-N 456.568 2.663 30 10 JFEE C=CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1264307827 PBQFFYVMXNNVOJ-FSPWUOQZSA-N 464.565 2.699 30 10 JFEE C=CCn1cc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)nn1 1276651950 QRKVQXBEXOEFEM-CQSZACIVSA-N 450.312 2.534 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286281582 KAHYXOSRJYOGBY-UONOGXRCSA-N 466.405 2.722 30 10 JFEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 1286382642 SSKHXZZLIUILLK-SFHVURJKSA-N 485.635 2.500 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1286382670 BERJQBJHMBFKPG-IBGZPJMESA-N 474.627 2.852 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286387110 NZNBFDGTASDYJB-SFTDATJTSA-N 499.637 2.971 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286389911 SNMHSNSTLPQUAO-JTHBVZDNSA-N 478.622 2.578 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1286452222 KWUJZZHKELDSQP-UHFFFAOYSA-N 480.569 2.785 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCCN2CCOCC2)CC1 1286476321 TXLYNCOYNSPHHC-UHFFFAOYSA-N 487.446 2.575 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2c(F)cccc2F)CC1 1286492005 CGZCJNQCZRNDEU-GOSISDBHSA-N 457.525 2.659 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286509258 XIAHJQDDKQYBDO-OALUTQOASA-N 490.674 2.897 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCCN1CCC[C@H]1CO 1286516112 WFJZVGCVYIEGRX-GPUOULLFSA-N 459.635 2.548 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1286712185 TZSPNIOVJNJZHN-QFIPXVFZSA-N 488.654 2.655 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1286745417 VUDTYNLKDHQGGT-DQEYMECFSA-N 473.593 2.717 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286766726 WFJYYRCYGDIYEB-YKSBVNFPSA-N 490.626 2.716 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)C1 1286807767 GROSYVWLZBSHAA-HOTGVXAUSA-N 451.449 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1[C@H]2CCC[C@H]12 1286815058 KFUYWYNNTKAJJM-KBPBESRZSA-N 454.394 2.871 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCSC2)C1 1287048819 DMWZEVOKWYJMLK-WQTXXOFMSA-N 480.610 2.703 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1296390211 HTLHNMABEGGPEG-LEWJYISDSA-N 479.585 2.789 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCN(CC)CC1 1300308001 LCLMWFGVGYCGDB-SFTDATJTSA-N 487.693 2.877 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300404333 XKGAFVNPSOYBMJ-UHFFFAOYSA-N 477.569 2.663 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1300485099 WYACDWZVXAWWHP-HNNXBMFYSA-N 466.405 2.853 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1300487001 CYRJZENRYWXKQS-SFHVURJKSA-N 456.593 2.999 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1300490029 XPVXRWBDLHKMST-WZONZLPQSA-N 486.619 2.550 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1300490905 CSFFCSIMCDYKJW-CQSZACIVSA-N 455.403 2.655 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1300499409 RGOVYOKODIKYLY-QFIPXVFZSA-N 479.606 2.668 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1ccco1 1300516959 WDXXILQGPDEFDT-UHFFFAOYSA-N 458.341 2.865 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1300688441 FKXUKKIHJFBBPW-GOSISDBHSA-N 492.546 2.602 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CCC2)CC1 1300716549 NUPXRRJCMNSQFH-XMMPIXPASA-N 475.659 2.570 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NC(C)C)CC1 1300730605 CIMCAEHVPMVFFX-UHFFFAOYSA-N 494.640 2.645 30 10 JFEE C=C(Br)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300863127 IXISFKBTVXXJIS-KRWDZBQOSA-N 482.345 2.912 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 1300884715 LYNIHNSCKSRAIH-QESAQDPVSA-N 495.690 2.997 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1300927503 IHQGGUAZGRVVLN-HRBLRVMOSA-N 482.651 2.831 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300938699 DTALITQYUBFOLK-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1301340284 XVMUCRARKCGGRJ-RTWAWAEBSA-N 455.584 2.671 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1301468594 DHPMHRLATQBIQW-UHFFFAOYSA-N 470.986 2.958 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301515530 WEXDYWYKTPIUPF-RUZDIDTESA-N 469.586 2.550 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301515754 YPOUXMOWSLSDFV-JOCHJYFZSA-N 497.518 2.698 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CC2CCS(=O)(=O)CC2)C1 1301567624 XMVAOPZJNUMYTH-NRFANRHFSA-N 460.600 2.506 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1301568043 CDQAYLIVECFJSY-KRWDZBQOSA-N 477.606 2.930 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@](C)(OC)C1 1301575131 BPNVBHXKBUJSCT-QHCPKHFHSA-N 470.599 2.941 30 10 JFEE C[C@@](O)(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1)C(F)(F)F 1303876233 DOVLPIXGUOIXPY-HXUWFJFHSA-N 486.445 2.728 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1306042456 BMVTZMSAWKVUNI-LJQANCHMSA-N 465.558 2.598 30 10 JFEE COC[C@@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@](C)(C#N)C1 1315773343 FLOFHIDBWCFBGV-KSFYIVLOSA-N 459.620 2.959 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1358921272 TZKKZXYHXCJANP-UHFFFAOYSA-N 485.658 2.844 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1OC(F)F 1358994690 UGUWSPPJKBUVSO-SFHVURJKSA-N 492.548 2.692 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCCC1 1358994916 ZCXOTHDEPZDJSB-UXHICEINSA-N 471.652 2.542 30 10 JFEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1358999548 VFVWRTPOVFNKSK-QFIPXVFZSA-N 450.587 2.819 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1359031037 ODKFJHGLYSZWNV-UHFFFAOYSA-N 494.459 2.676 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCCCCC2)CC1 1359031215 UORISZJVXXXREM-UHFFFAOYSA-N 475.435 2.887 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C)COC)CC1 1359033350 YZHOHTNVYHIHGJ-MRXNPFEDSA-N 462.392 2.754 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCN2CCCO)CC1 1359039640 PYBVPHARDKTOQY-OAQYLSRUSA-N 489.089 2.826 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359052832 RGSABVFUUWBVHG-OAHLLOKOSA-N 499.456 2.706 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CCC)C(=O)OC(C)(C)C 1359064052 KCKVVUWQDSXNHR-HTAPYJJXSA-N 482.651 2.528 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1359103873 UVVUXMPKIRDXMT-WMZHIEFXSA-N 484.601 2.698 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C(N)=O)CC1 1359135762 NQMXAXCIGGRZLX-UHFFFAOYSA-N 478.391 2.914 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C)n(C)c1=O 1359280017 BBPWVKRTCLCHQR-UHFFFAOYSA-N 459.554 2.825 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359294051 IXKGDBYYPPWSSV-UHFFFAOYSA-N 472.018 2.988 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1359297957 HYXNTPMWQLMOQT-SFHVURJKSA-N 471.359 2.916 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1359308325 KXZIVKNMDVRQSN-UHFFFAOYSA-N 496.637 2.737 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1359310259 RGXRGSGJMBBPNI-CTNGQTDRSA-N 460.600 2.655 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359328770 NSKCAJQOLHBNCW-XMMPIXPASA-N 487.626 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 1359332906 KAXZPEJEUNAIBK-OALUTQOASA-N 497.662 2.670 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@]2(c3ccc(OC)cc3)C[C@@H](O)C2)n1 1464713652 ZBFJEDCVKQWRIS-WEHONNDLSA-N 457.581 2.840 30 10 JFEE COC[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504570462 DVCZVSQEATZECL-PMACEKPBSA-N 476.585 2.825 30 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C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1587718547 IDCRNOMFQYRWHK-FQEVSTJZSA-N 471.627 2.895 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588059885 XCCGDLRYENKKSY-OAQYLSRUSA-N 476.046 2.635 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588099764 YIOJBQXMQPEYEP-HXUWFJFHSA-N 486.576 2.704 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1588173744 IRFDCMDHOKCNKV-GOSISDBHSA-N 465.558 2.692 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCCCC1 1588263461 XDHWQTQIYAPVET-UHFFFAOYSA-N 456.978 2.724 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCc2nccn2C1 1588646036 GFWNBAIPTXJCAP-HXUWFJFHSA-N 497.644 2.938 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1588732529 CFZCUQPUBFORLV-QFIPXVFZSA-N 486.624 2.591 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN(C)CC(F)(F)F)CC1 1588780127 IELVUHODXAAFLO-UHFFFAOYSA-N 458.891 2.987 30 10 JFEE 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459.616 2.790 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C 1595100126 MZLAIXMOXSGFOS-JOCHJYFZSA-N 479.610 2.909 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 1595319544 XHXQRGUDDCXTLQ-IBGZPJMESA-N 458.632 2.567 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1595497075 PFSWBKPMPNONFR-UHFFFAOYSA-N 489.418 2.751 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595823689 QQLIVRODOQWHIG-FQEVSTJZSA-N 474.627 2.898 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1595837732 CDCFEEIZMUHHPG-ZRNYENFQSA-N 452.621 2.619 30 10 JFEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595878972 SIXANBLUWBNFKI-KRWDZBQOSA-N 478.663 2.979 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1597732938 FTOCTOKTSXPNAP-DNVFCKCGSA-N 490.605 2.617 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1CCOCC1 1608562934 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496.681 2.843 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690176828 BOEKUXBMVJJTRW-IBGZPJMESA-N 462.641 2.647 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C)c1ccccc1 1690321452 BLWVVCKCXCYPLC-YLJYHZDGSA-N 469.615 2.849 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)CC1 1690411116 FMOQZIGKFJONFD-QGZVFWFLSA-N 451.449 2.872 30 10 JFEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1)c1ccccc1 1690441792 GZKOCZJLNMTXHB-MISYRCLQSA-N 475.615 2.638 30 10 JFEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690465956 SEWJKSDOBHUGBN-JOCHJYFZSA-N 457.604 2.805 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690480899 QTROBSCJXGRXNZ-GOSISDBHSA-N 459.620 2.509 30 10 JFEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690491941 KPQJRSOENJJOJX-XMMPIXPASA-N 452.559 2.946 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCO1 1690556423 WSAZBVVBDWHUBY-PZJWPPBQSA-N 460.600 2.951 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690659498 VDKJTUXOPYWTQL-UHFFFAOYSA-N 490.612 2.871 30 10 JFEE Cc1nc(C[C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)C)C2)no1 1693359055 AGHNRYJAZUHYHX-IBGZPJMESA-N 462.558 2.740 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CC1 1694223549 CHHFCUXOSBNTOH-RXVVDRJESA-N 467.643 2.749 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1695588004 HWIGSGXQSIJLGB-FCHUYYIVSA-N 466.586 2.850 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1696676029 GCKKSBHGCSPJQM-OAQYLSRUSA-N 450.568 2.739 30 10 JFEE CO[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C 1697158546 BPQBCJXTNLTSGW-JOCHJYFZSA-N 462.602 2.934 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705566696 QIBZAXRGJCYRBH-HXUWFJFHSA-N 471.533 2.796 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705567699 YIGKSRAOKRQIBZ-OAQYLSRUSA-N 455.584 2.569 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1ccco1 1705592019 OOMMOJHJYAAYKP-UHFFFAOYSA-N 469.343 2.532 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705683956 GKNCYGPCTYEBAF-MRXNPFEDSA-N 491.415 2.985 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705699256 DXFRDRIXFDVYRN-RZFLPCETSA-N 458.575 2.889 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705725726 OMLYJMKWFPCSLS-IEBWSBKVSA-N 474.606 2.658 30 10 JFEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705727615 QAFSTMFCVJRIGR-XMSQKQJNSA-N 456.566 2.561 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 1705730330 ILZWTVZBXBOTOS-HNNXBMFYSA-N 453.996 2.697 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1705740130 CIOJPRBNDADMCB-MSOLQXFVSA-N 462.595 2.610 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705745566 CTYDXDPAYMLERQ-MRXNPFEDSA-N 476.965 2.764 30 10 JFEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705772253 PWIHEIWGLCNFOZ-INIZCTEOSA-N 456.572 2.724 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1705946405 GXJNGPLCUPCHRW-IBGZPJMESA-N 461.657 2.734 30 10 JFEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1706234033 AINDJLOAKIHTAS-HMHJJOSWSA-N 450.587 2.966 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1706746494 BLWLJPMOMZERSF-YJBOKZPZSA-N 474.612 2.612 30 10 JFEE CC1(C)CN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)CCO1 1706955640 DCSKRDQVYHTTGU-UHFFFAOYSA-N 451.619 2.848 30 10 JFEE CCN1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1710246988 HQEAPRITXVXVOU-CVDCTZTESA-N 497.669 2.928 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccccc1OC(F)F 1710734447 CQXVCLFPDBYDDT-MRXNPFEDSA-N 484.511 2.841 30 10 JFEE CSc1cc(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)ccn1 1712765000 APZQHIAMGZURJX-UHFFFAOYSA-N 451.604 2.807 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 1722289763 ICDJOQQRRLYCQH-GBESFXJTSA-N 475.590 2.588 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1722358036 CSRYIVZBYDHYLJ-KKSFZXQISA-N 450.992 2.589 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722366024 HAQBHGDDFFQGJP-IAGOWNOFSA-N 466.966 2.640 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1722368001 ODSFRNIUOLNWSF-OAQYLSRUSA-N 477.590 2.888 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1722380310 JIPANWFRSFGRMI-UHFFFAOYSA-N 499.600 2.800 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N(C)CC 1722392535 NVRGNASECRRPAH-UHFFFAOYSA-N 458.360 2.657 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCc2ccc(OC)c(OC)c2)CC1 1722439705 MNTAUSAPFKTRHK-UHFFFAOYSA-N 460.582 2.669 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C(C)C 1722467936 DKKVEGBZIARIHA-DHIUTWEWSA-N 458.632 2.946 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722505324 JTFUMVCNPNGVFM-AZUAARDMSA-N 453.591 2.951 30 10 JFEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722524610 GRLMGDFFTJAJRR-LJQANCHMSA-N 460.542 2.702 30 10 JFEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722526546 WXQDRJBWJILTTC-UHFFFAOYSA-N 450.612 2.945 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722548013 RPGORRFFOJZYKZ-IIBYNOLFSA-N 458.994 2.695 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722555762 HDEKVZCDRQHYFL-QFIPXVFZSA-N 453.934 2.967 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722621151 WFVRVDXOTWYMAV-HXUWFJFHSA-N 459.513 2.637 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CCCO1 1722681688 QEMRBNLOXQOJCH-MBSDFSHPSA-N 465.595 2.794 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722693556 SHPWSUBMDZQWCH-HOCLYGCPSA-N 477.382 2.822 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1722696992 GHSLICQBFPMVGY-QZTJIDSGSA-N 463.586 2.850 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(F)cccc2N2CCCC2)C1 1722709330 NPJMFEJOYJCVKY-SFHVURJKSA-N 456.566 2.985 30 10 JFEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722736800 JDPXDPMUQQTTRC-UHFFFAOYSA-N 455.588 2.651 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1722739672 GKTWEBVFKATOEW-IBGZPJMESA-N 459.591 2.862 30 10 JFEE COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1730771164 DENCZFUKURWFCR-UHFFFAOYSA-N 466.567 2.835 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2([S@@](C)=O)CCC2)c1 1740563425 YNHWPNFEBHEQBH-MGBGTMOVSA-N 462.579 2.698 30 10 JFEE C#CCCCCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740579695 VHZVBOAHWRPKTN-DEOSSOPVSA-N 456.566 2.983 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740618081 BPKPOENRSOKCOJ-REWPJTCUSA-N 480.638 2.708 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740618791 KHUNWKHPMXYACE-CQSZACIVSA-N 499.456 2.701 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740621598 XMYANVZNMZTCON-LMMKCTJWSA-N 478.018 2.825 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1740627117 OIEWQYDXXZCRPS-MRXNPFEDSA-N 467.542 2.538 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1740628997 YCILPYIENIUESF-GOSISDBHSA-N 486.619 2.911 30 10 JFEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1740715376 YDWWIPYGJYOPHM-NHCUHLMSSA-N 453.660 2.701 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740722807 KEAQWQKXLUAVGG-WNRNVDISSA-N 456.678 2.821 30 10 JFEE C=C(Br)Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@@]1(OCC)CCOC1 1740748108 AAROERJXLRYSDN-QGZVFWFLSA-N 459.776 2.862 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1740824262 XXAOPHRGWXKOOV-INIZCTEOSA-N 450.465 2.964 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)c2ccccc2)CC1 1740825627 QEEOIMWVQYFDIN-CTNGQTDRSA-N 459.616 2.961 30 10 JFEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740868984 XWLZGXNABLYZLA-QHCPKHFHSA-N 496.656 2.982 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC)C1)C1CC1 1740908094 KSDVQHZXFUZFSC-SFHVURJKSA-N 458.632 2.692 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1740952544 HTIUAJSQIKBUQZ-SFHVURJKSA-N 495.653 2.836 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C1 1740970113 FEGVXGXOGRIYCT-NRFANRHFSA-N 481.601 2.874 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC(=O)NC(C)C)C1 1740978695 ATCUHBGEQYFVJI-LJQANCHMSA-N 493.612 2.932 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(OC(F)(F)F)cc1 1741917387 DOFJTCSIHPSIOU-ZDUSSCGKSA-N 472.493 2.575 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N2CCOCC2)CCSC1 1748650994 HAKZYRNNZCRLIK-HTAPYJJXSA-N 456.572 2.519 30 10 JFEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@H](C)C1 1748701267 FFEIDQZBVLFASW-GOSISDBHSA-N 457.648 2.881 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1748703423 PHYFSRYCHOHMCF-LJQANCHMSA-N 452.584 2.880 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccn(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1748804012 CADXUBDMDKEXBB-KNQAVFIVSA-N 466.611 2.711 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1748807693 BHEQFILJFROLRE-JXFKEZNVSA-N 462.019 2.708 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748819100 KMXXQQXOCXNXTD-CTNGQTDRSA-N 474.627 2.565 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(OC)c(OC)c1 1748875215 NQLOLUWYNDJYPY-UHFFFAOYSA-N 458.522 2.648 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2nc(C)cc2C)nc1 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480.436 2.985 30 10 JFEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287015685 JAGVXFFUHYXJGU-SFHVURJKSA-N 459.396 2.796 30 10 JFEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2289465233 BYMVFRXXJDPIBO-IBGZPJMESA-N 462.396 2.840 30 10 JFEE Cc1nn(C)cc1C(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)CC1 2297650940 WQNUCGBCSMNRMB-UXHICEINSA-N 488.514 2.709 30 10 JFEE COc1ccc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 2318788549 MTAVGSJMGSASCQ-UHFFFAOYSA-N 468.491 2.516 30 10 JFEE Cc1scc(C(=O)NCCOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320441407 RBRFKGBKHWHBJH-UHFFFAOYSA-N 454.398 2.627 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322306827 OXSXFXMSTAYEGP-WAJSEHEASA-N 455.361 2.916 30 10 JFEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(CC=Cc4ccccc4)CC3)ncnc21 2324567701 LTFDHKAWTZAFQB-UHFFFAOYSA-N 460.582 2.829 30 10 JFEE COCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(OC)c(O)c1 2331613027 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C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359328082 SNLUVCUPZGJXTC-YPAWHYETSA-N 474.627 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@@H](C)C1 1359331651 FCLWRPBTTAXBPL-RBUKOAKNSA-N 497.662 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359334001 QKMSWYHQPSLWRO-IBGZPJMESA-N 460.629 2.878 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359339850 SKCHOHQZWRSMJW-JOCHJYFZSA-N 478.640 2.897 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1359647822 HPZLEDNLVOPZNA-KUHUBIRLSA-N 452.328 2.982 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(S(C)(=O)=O)CCC2)c2ccccc2c1=O 1360473829 AMMYBHJPYBLUEE-KRWDZBQOSA-N 497.625 2.942 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1 1467332380 YEAHIWFDQJMATE-UHFFFAOYSA-N 454.474 2.527 30 10 JFEE COc1ccc([C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)N2CCOCC2)cc1 1467583993 GDUAEZHRPCBCGM-NRFANRHFSA-N 455.584 2.533 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2.680 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCC)CC1 1507737913 GWRVQWWWOJPMIW-UHFFFAOYSA-N 475.597 2.831 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1507740159 JEWJHIKVCFMANZ-QFIPXVFZSA-N 485.032 2.817 30 10 JFEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507847168 HHYPLUYMNMWYGO-UHFFFAOYSA-N 466.586 2.567 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507848058 MJSWHPHKQNFIGM-OAQYLSRUSA-N 473.599 2.725 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1507953618 HPURYQYNZSBMDG-QGZVFWFLSA-N 451.618 2.592 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCCN2CCOCC2)CC1 1508047413 HMNCXIYCCIHMOL-UHFFFAOYSA-N 473.643 2.863 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)C1 1508110494 TTWTWIRIMJKCAX-OALUTQOASA-N 488.633 2.987 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1508165311 RRHIIRHIJHQFEB-SFHVURJKSA-N 486.671 2.951 30 10 JFEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCS1(=O)=O 1509010862 CFDDYKATIHKJTP-OAQYLSRUSA-N 456.616 2.563 30 10 JFEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1517086729 DFTOPDDMWLFLEP-XIFFEERXSA-N 470.643 2.522 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1517720043 CWDLDWWFOANYFP-FQEVSTJZSA-N 495.609 2.982 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OCCN(C)C)cc1 1539002721 HCSFEPNVKUVUFD-GOSISDBHSA-N 464.570 2.647 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1539220963 MOVHPWCYQBWNHY-JXFKEZNVSA-N 479.002 2.857 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539417641 OKLDNGMWZWOUPC-FPOVZHCZSA-N 468.602 2.995 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCCOC)CC1 1539460132 XKJJRULZKVNHKR-UHFFFAOYSA-N 462.392 2.801 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539505953 GFDINGLSFUQDEI-XMMPIXPASA-N 471.627 2.630 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539728692 CPKVRGSXUYASNP-SJLPKXTDSA-N 479.375 2.661 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539751448 NOIOMWIRFMLOMY-GOTSBHOMSA-N 455.603 2.968 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CCCS2(=O)=O)CC1 1539846612 FWBMALGICKIHBF-IBGZPJMESA-N 494.662 2.585 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CC1(CS(C)(=O)=O)CC1 1540133373 FIMICXGFTDOVQR-UHFFFAOYSA-N 456.547 2.892 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCC1 1540179935 DPXOXYLYVSHHGC-UHFFFAOYSA-N 452.584 2.938 30 10 JFEE COc1ccc([C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)N2CCOCC2)cc1 1540579072 HRSOSPLIVHLNJP-QHCPKHFHSA-N 450.539 2.865 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C)C1 1540898535 MZJPXGDRRABAKZ-ZDUSSCGKSA-N 473.368 2.673 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1541111894 CRUZDSMORGXBPW-FUHWJXTLSA-N 459.595 2.515 30 10 JFEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1547002924 CLGHKUYNMUDJIB-UHFFFAOYSA-N 451.619 2.850 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1555986004 CZLMKEJDRPNWTQ-UHFFFAOYSA-N 483.516 2.535 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1 1585925742 ZEPDLBLVPWIXJD-NRFANRHFSA-N 452.555 2.592 30 10 JFEE C#CCCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587793070 FZIUAEWVOYMSQM-VWLOTQADSA-N 463.586 2.715 30 10 JFEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1587888763 MQVSDOJZGGUVOT-SFHVURJKSA-N 465.533 2.807 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCC[C@@H](C)C1 1588218791 CELPKYYSMFZZAA-LJQANCHMSA-N 450.587 2.979 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNC(=O)c2cccs2)CC1 1588864941 MMIVKBWYIMXISK-UHFFFAOYSA-N 478.622 2.721 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(CCOC)CCCCC2)CC1 1588923665 IFWSDVCBSRPIPI-UHFFFAOYSA-N 465.602 2.688 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1588955179 PXXNRYWZGJDTFT-UHFFFAOYSA-N 489.527 2.753 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1589287901 FMZUEPNQGLYKHH-UHFFFAOYSA-N 487.402 2.951 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589548025 XPFURSKGFJXORX-RDPSFJRHSA-N 487.048 2.714 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594504457 SNSGKTWLRCJELF-UHFFFAOYSA-N 466.630 2.953 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnc(C)s1 1595142619 SMYXWFKWBLTYSD-ZDUSSCGKSA-N 452.631 2.956 30 10 JFEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1595334899 IOQYNAIGGJFADI-UHFFFAOYSA-N 455.544 2.855 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1595387171 SSRFLUQHZAITGY-QGZVFWFLSA-N 459.620 2.557 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(OCC)cc2C1 1595561950 ISDFSXATNMCVRN-UHFFFAOYSA-N 452.584 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1595838191 NBSDFTZAAARYIP-UVUJQTEASA-N 490.626 2.569 30 10 JFEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1603169801 CIOWHDSLHVQMKD-LTMIRXACSA-N 454.575 2.880 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)n1 1611072938 QEVOFELFYQZVBY-GFCCVEGCSA-N 452.631 2.686 30 10 JFEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(C)(C)CN(C)C)c1 1619352526 FKIFHEUIBCBDMO-IBGZPJMESA-N 489.628 2.918 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 1628006405 SMDYCLKFTFESOA-MJGOQNOKSA-N 461.496 2.868 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c1 1630497596 RNAHYTQCQWAQCS-UHFFFAOYSA-N 459.531 2.838 30 10 JFEE CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[C@](F)(C#N)C1 1642731213 AIVPVLLODJHIRW-NRFANRHFSA-N 452.552 2.524 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689983778 HEZYNCGVCAXULM-XXBNENTESA-N 485.997 2.528 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1689993962 OGDGFKMPZYDMOA-WMTXJRDZSA-N 468.623 2.671 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ncc(CC)s1 1690101066 NCOJYODZLJFIFH-UHFFFAOYSA-N 477.594 2.540 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1690132367 OYRVGSQCQJIGSZ-QFIPXVFZSA-N 468.005 2.936 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccnc(OC(F)F)c2)CC1 1690134852 IMGDEAQTJCBHOS-UYAOXDASSA-N 474.556 2.997 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690142485 OQPKLOGUTHLJDA-OYRHEFFESA-N 465.646 2.617 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1690223187 IBIMDDDXWOERAI-UHFFFAOYSA-N 485.404 2.884 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(CC(N)=O)CC1 1690250015 CAHUYAWVXLCBFR-HYBUGGRVSA-N 453.587 2.973 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1690280103 XKGJCIHNRQGGTK-ROUUACIJSA-N 457.575 2.906 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1690485595 XSXFAOFXKBQJHY-HXUWFJFHSA-N 471.627 2.887 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690500471 WWDRUOSOWHKWPU-KRWDZBQOSA-N 492.378 2.908 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1(C(N)=O)CCOCC1 1690572077 RSMIOYAQPYSCER-UHFFFAOYSA-N 464.545 2.878 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690665808 PZKWESHDRKICDE-HRAATJIYSA-N 455.559 2.658 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 1690672657 ZFDIMRLLTGSEFN-UHFFFAOYSA-N 472.462 2.524 30 10 JFEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690683617 PPEGCQQHGYRBMC-PMACEKPBSA-N 452.603 2.933 30 10 JFEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690733342 BESGZKRNQUBVAO-VQIMIIECSA-N 488.589 2.949 30 10 JFEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)N1CCOCC1 1690735600 CKLBVDIRXPXKIZ-UHFFFAOYSA-N 467.599 2.549 30 10 JFEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)C(C)C)CC1 1690742610 VSXIJZNFOHRMLO-UHFFFAOYSA-N 460.604 2.666 30 10 JFEE COCCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1697911418 BJHRBSJOETZTLA-JOCHJYFZSA-N 478.594 2.700 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1705492157 MITHFQWHLYPCEL-WMZOPIPTSA-N 458.607 2.765 30 10 JFEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1705538388 MQNIZQBOCPQOBD-RTBURBONSA-N 458.607 2.944 30 10 JFEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705539214 MCNPFMCMPOGKBT-HXUWFJFHSA-N 469.611 2.820 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705576042 DPHFHYAZKGRKNK-RBBKRZOGSA-N 454.596 2.873 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC)c(O)c1 1705588148 XLSGHGQLHVBPKM-KDURUIRLSA-N 465.554 2.884 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1705649057 IQQDZOQOZWTIRY-WOJBJXKFSA-N 465.646 2.996 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705732249 SXMYOJOFCMITFN-PXDATVDWSA-N 491.640 2.788 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C(N)=O)nc2)CC1 1705778140 LGLHSRNAZDVQOV-UHFFFAOYSA-N 456.348 2.980 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC 1705866196 JTKVLUCRKRGYSZ-UHFFFAOYSA-N 466.615 2.842 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](COC(C)C)C1 1705896603 RTVOUKZIBUMZFN-CQSZACIVSA-N 484.420 2.702 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705898952 CWYQREKAHJWUNB-SFHVURJKSA-N 451.531 2.640 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(N(C)C)CCC2)C1 1705925812 UTOITYGSSRIJJE-WOJBJXKFSA-N 490.649 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705933897 VEDRUZQMRVIMDU-LJQANCHMSA-N 478.018 2.791 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)[C@@H](C)C1=O 1706505574 GYUSCECCELBZDL-SFHVURJKSA-N 463.586 2.569 30 10 JFEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1N(C)CCCC1(C)C 1711221528 AHVRIBTURKSWKB-HSZRJFAPSA-N 481.645 2.618 30 10 JFEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)CC1 1712108298 GXVHCHFIJZBRTR-UHFFFAOYSA-N 495.971 2.676 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722294548 HHPPXNHWQIWFMA-PWIZWCRZSA-N 479.503 2.902 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC(F)(F)C1 1722390037 OQBZVEDDSVXSFW-UHFFFAOYSA-N 461.538 2.704 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCn1cc(Br)cn1 1722425729 KFUAXVXVTMYOJW-UHFFFAOYSA-N 461.339 2.753 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1722427955 VKCDVLYZXFJEDF-WIYYLYMNSA-N 485.633 2.871 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1722433313 QPZHYPJNPZFTHQ-QFQXNSOFSA-N 467.614 2.573 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(N(C)C)CCOCC2)CC1 1722434677 XKBABQVQCSUOQC-UHFFFAOYSA-N 493.475 2.635 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1722455072 KGAZZLMDKIIRAG-UHFFFAOYSA-N 463.611 2.786 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1722481657 HITZGBQHVHWWJD-UHFFFAOYSA-N 451.332 2.842 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722495676 ICMYEBQDJQKUKG-GCJKJVERSA-N 489.642 2.795 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1722581540 DPWKRFKJMWHKCE-KRWDZBQOSA-N 466.677 2.874 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1722707292 LKWHKBNVMVWHNU-HKUYNNGSSA-N 460.600 2.797 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1722732146 VNBRCMDYMDWBMV-UHFFFAOYSA-N 489.642 2.522 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1 1722735322 PFXRXJPRWZJDMB-UHFFFAOYSA-N 457.572 2.960 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1749016463 FDAFYYOXTAGOJI-GOSISDBHSA-N 494.587 2.780 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1749033169 ZEEBLIOINYKVHI-UHFFFAOYSA-N 457.604 2.985 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749039565 WSBJWYPIHFUWQG-WOJBJXKFSA-N 490.674 2.864 30 10 JFEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCOC 1749103798 DHEOBUNWDDGTRA-HNNXBMFYSA-N 474.400 2.968 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CCO)Cc1ccccc1OC 1749126483 COSPICBHEYDALR-DENIHFKCSA-N 450.543 2.724 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](COC)C1 1749355332 FLMYNADVMPYRBE-IBGZPJMESA-N 477.631 2.649 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCCN2CCC(O)CC2)c1 1750381797 FRVLVIWLDNRPLQ-UHFFFAOYSA-N 491.562 2.738 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760146943 BFPMCMZBCCMLIG-HXUWFJFHSA-N 469.611 2.505 30 10 JFEE 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465.664 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(C)(OC)C1 1760551709 PEIIIQGRFNLZDD-UHFFFAOYSA-N 455.378 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760555528 HRRNPEZGZQIQQM-GBESFXJTSA-N 497.662 2.512 30 10 JFEE CC(C)(C)c1nnc(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)s1 1760721892 FAKWYKLSHTXOEW-INIZCTEOSA-N 457.535 2.922 30 10 JFEE Cc1csc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)n1 1762220083 CYXVBJGBMSVXEE-LJQANCHMSA-N 481.582 2.596 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1762239307 DSGHHUQOGYWVPY-AUUYWEPGSA-N 459.492 2.523 30 10 JFEE C[C@H]1COCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1763231854 AWLXRZKXWMNHTH-HNNXBMFYSA-N 462.396 2.886 30 10 JFEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC)CC2)cn1 1764607806 HFGWVDJNPRLQIC-UHFFFAOYSA-N 460.542 2.510 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1766556964 CQZVJGWCEKIYJZ-LJQANCHMSA-N 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C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1286363596 PGWVKKFPVOBKFT-RLWLMLJZSA-N 467.614 2.657 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@H]2C[C@@H]2C)n1 1286471109 IQQVWJNPXSXLDR-JBACZVJFSA-N 499.616 2.650 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H](OC)C(F)(F)F)CC1 1286478275 BIDHMOONULPPGA-GOSISDBHSA-N 457.447 2.870 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1CCCO 1286514989 CXBUVJARQCWSJX-DYESRHJHSA-N 461.408 2.875 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1286545862 CHSMLSPGCOLIFM-FSGKZVOOSA-N 451.637 2.886 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](COC(C)C)C1 1286562659 HDDYXVOKNPVNTF-JQVVWYNYSA-N 489.642 2.881 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286584930 VZBPRECQEOEXSE-OAHLLOKOSA-N 485.452 2.730 30 10 JFEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1286739770 NWKPSXGQVNHBRJ-UHFFFAOYSA-N 458.994 2.829 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1286748737 ZWTKSKREJBFKPN-IEBWSBKVSA-N 461.563 2.528 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286783930 QINSSEXPAORJSG-UHFFFAOYSA-N 486.020 2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286816463 JGSRSUKWBOECMC-WMLDXEAASA-N 474.505 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286821187 CXXZUSQRZCHXRC-IXFSTUDKSA-N 495.045 2.896 30 10 JFEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1299287059 AANMNDAWHQMERN-DENIHFKCSA-N 481.601 2.785 30 10 JFEE COc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1300207397 FINYKEHOMDRBAO-MOPGFXCFSA-N 483.573 2.573 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(C(N)=O)CCCC2)c1 1300332440 FYTHIDNNCJGLEW-FQEVSTJZSA-N 464.570 2.622 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCCC[C@H]2C)c1 1300333119 WIEJXUZXWKIRTL-HXUWFJFHSA-N 474.613 2.999 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2cccc(C)n2)c1 1300333134 WYKCBFNKFGUXCC-UHFFFAOYSA-N 454.538 2.681 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1300411287 RVQSDHQHEXNTNH-GOSISDBHSA-N 485.532 2.680 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1300412202 YWCDKPXZBZBLAE-RTBURBONSA-N 458.584 2.952 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300476719 UAIAJUATSLXWBS-WAOWUJCRSA-N 452.607 2.767 30 10 JFEE C#CCN(c1nnc(C)n1Cc1ccc(Oc2cccnc2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300483383 JREZQWCLPZTLDF-GOSISDBHSA-N 455.515 2.588 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300488571 STNFPBFSBRWXAW-OPYAIIAOSA-N 460.600 2.642 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1300642235 OKRPHBABTFEKTF-SQJMNOBHSA-N 469.561 2.923 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300683065 LDBGIRJRLYSSRQ-IBGZPJMESA-N 489.617 2.670 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCC)CC1 1300718409 MZDXMBFVVJUJEY-QHCPKHFHSA-N 459.598 2.657 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300770231 PXAFONRYUPOULM-UHFFFAOYSA-N 484.589 2.688 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300816041 HAOYBHNDKOCIGQ-HOYKHHGWSA-N 471.989 2.998 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1300830225 RUDZFLCGSDPEEJ-HXUWFJFHSA-N 465.348 2.867 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300875928 OTBURHWZAHYGHM-REWPJTCUSA-N 470.618 2.818 30 10 JFEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300944056 ADTMMXCKEDIRDK-UHFFFAOYSA-N 462.602 2.697 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300974584 KGCATZXGISKJMX-INIZCTEOSA-N 486.436 2.652 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300981030 RCWYREWDUOKUGY-QFIPXVFZSA-N 496.015 2.935 30 10 JFEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCOC)CC1 1301222967 KGFFGKZQIWVYMF-OAQYLSRUSA-N 455.559 2.736 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(C(=O)NC)CC1 1301490232 NQDGFVJIQCRXAV-UHFFFAOYSA-N 483.573 2.576 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1301575826 KUQRMJNMOAJMEM-OAQYLSRUSA-N 455.584 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301586234 FIIVGLFFVWBCEQ-IAGOWNOFSA-N 467.586 2.667 30 10 JFEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301596847 AKEAKZCLFBBJCZ-QGZVFWFLSA-N 492.552 2.938 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cc(Cl)ccn2)CC1 1301767967 ZOMFSSNXTRHURR-UHFFFAOYSA-N 478.988 2.666 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)n1 1315989341 DLSNRVDWWDIZBT-FUHWJXTLSA-N 451.531 2.840 30 10 JFEE 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2.812 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1358967304 HWFWRRFZBPEQBY-UFYCRDLUSA-N 460.575 2.930 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccs1)N1CCOCC1 1359014887 AOCJKNMESYULOJ-ZVDOUQERSA-N 459.616 2.597 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(=O)N(C)C)CCCC1 1359019873 KCLMONITTUYMCC-UHFFFAOYSA-N 454.531 2.588 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(Cl)ccc2s1 1359024505 ONUCCLBLOIXOBD-CQSZACIVSA-N 480.015 2.578 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2OCCC2(C)C)CC1 1359042575 LTGSYKGRHDIDHQ-OAQYLSRUSA-N 451.571 2.735 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1359060134 LSZDRRUFBJPPMR-UHFFFAOYSA-N 468.627 2.834 30 10 JFEE C=C(Br)Cn1c(N2CCN(CCOC)[C@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359088110 BOBQJNCBAAXWKR-NQIIRXRSSA-N 486.455 2.774 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359090661 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CBZWJCLEWPCZLZ-GOSISDBHSA-N 456.568 2.728 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 1457217496 UAHPPLNAZZCSCI-QGZVFWFLSA-N 451.589 2.918 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 1475677338 QIERVHMDTWQUDT-LJAQVGFWSA-N 455.602 2.723 30 10 JFEE Cc1cnc([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)s1 1492629497 CEQYGNANQYQGCX-HNNXBMFYSA-N 485.639 2.903 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](C)C2)CC1 1502340227 FHWGZUGWZWAXFZ-NJYVYQBISA-N 451.619 2.704 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1507546158 DQNOPCQYZIFGPG-MJGOQNOKSA-N 457.600 2.673 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2CC)c1 1507550807 PPAHEXLPBHKXKW-IFMALSPDSA-N 450.587 2.713 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1507563038 CEBDZXAFSFDBCQ-PZJWPPBQSA-N 475.615 2.911 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)Cc1ccc(F)cc1 1507617491 UUWUBOCQQNLCOQ-OAQYLSRUSA-N 486.592 2.927 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 1507622103 FXMYPDYCLSMPMY-ZWKOTPCHSA-N 454.600 2.927 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507628728 IAYSXZQJVXOOQJ-SFHVURJKSA-N 455.971 2.863 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507645467 BRAHUQSBLHNZKJ-FQEVSTJZSA-N 456.550 2.695 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1cc[nH]n1 1507703404 VIAJJKJPXGHZGY-UHFFFAOYSA-N 478.557 2.566 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507708760 MKQDINUFYKDWBD-PMACEKPBSA-N 455.603 2.928 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1507715980 KWZAMKBSTARSQH-FYYLOGMGSA-N 462.598 2.884 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1507785866 UFBMKTWHLMNHRF-VQTJNVASSA-N 476.419 2.936 30 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484.981 2.723 30 10 JFEE Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)NC(C)C)C2)n1 1543003535 CBJMUMZUPWEWCC-QFIPXVFZSA-N 496.641 2.799 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H](Cc1ccccc1Cl)C(N)=O 1543830409 GRUWKOJUOGAORG-ZDUSSCGKSA-N 450.720 2.813 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1547430715 HBFOZWPXLJBOKS-IBGZPJMESA-N 499.063 2.982 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1554357870 IDJXQNVUQIBDOM-PMACEKPBSA-N 456.616 2.560 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC(C)CC1 1555107252 IBBVRQIGYTXIEY-WOJBJXKFSA-N 454.575 2.715 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 1556509443 HDFPEDOWYHLEBS-TXPKVOOTSA-N 451.589 2.915 30 10 JFEE COc1cc(Br)cc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 1561213746 HVSKFDZVCSMOBD-UHFFFAOYSA-N 451.346 2.672 30 10 JFEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)C1(C)CCN(c3ccc(Cl)cc3C#N)CC1)C2 1568812893 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C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NCC(F)(F)F)C1 1595745689 WEDAMMLSPTVRDU-KRWDZBQOSA-N 453.465 2.625 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)Cc1cnn(C)c1 1595777251 KQVMAXXQKAJBPJ-UHFFFAOYSA-N 479.404 2.678 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1595784604 JLJFGNWDOXBHBQ-HXUWFJFHSA-N 454.600 2.585 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595830434 BRTPGRMACBEMRO-AVRDEDQJSA-N 454.637 2.792 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1615325296 HBCPAPVTYYEFII-QFIPXVFZSA-N 479.629 2.624 30 10 JFEE C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)C1=O 1618020748 AVQGXFOLAHWGRB-NRFANRHFSA-N 457.552 2.663 30 10 JFEE Cc1cc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc(Cl)n2n1 1618248968 FDVUZCKFSPSBOU-UHFFFAOYSA-N 458.931 2.602 30 10 JFEE C#CC1(O)CCN(C(=O)c2occc2CS(=O)(=O)c2ccc(Br)cc2)CC1 1641040334 FMDCYIVCARWFNA-UHFFFAOYSA-N 452.326 2.616 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)s1 1643277259 IBWWGDLIARHJPH-CABCVRRESA-N 457.618 2.563 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2-n2ccc(C(=O)OCC)n2)n1 1668447529 NKLWRZBRBKQSHS-UHFFFAOYSA-N 450.499 2.559 30 10 JFEE Cn1cc(-c2nc3ccccn3c2NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 1675457210 DJIISEWOAVCYMG-ZBFHGGJFSA-N 450.503 2.615 30 10 JFEE C=C(C)CN1CCC(NC(=O)N2CCN(Cc3nc(O)c4c(C)c(C)sc4n3)CC2)CC1 1678370883 YOFKOZDVMLVOEI-UHFFFAOYSA-N 458.632 2.881 30 10 JFEE C=C(C)COCCNC(=O)N1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1680424001 IDLATVRSDMFGRI-XMMPIXPASA-N 450.583 2.964 30 10 JFEE C=CCC[C@H](NC(=O)N1CCN(CC(=O)NCCOC)CC1)c1ccc(C(F)(F)F)cc1 1680856403 YPUJFVBEVKAFNG-IBGZPJMESA-N 456.509 2.803 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1689930604 VRMFWXBOAVDNHF-XMMPIXPASA-N 456.591 2.665 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccnn1C)C1CC1 1689932180 SSGTXXBFYXRWMF-HXUWFJFHSA-N 469.590 2.902 30 10 JFEE 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487.551 2.864 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690159661 ILIZLYDTKUNMID-WBVHZDCISA-N 463.510 2.848 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCCC2=O)CC1 1690159846 OMDWEYMIPFAEEP-UHFFFAOYSA-N 454.556 2.811 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)C(C)(C)C 1690203187 SXGVTTBTKFSTNW-KCEHZKJRSA-N 476.672 2.778 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1690240161 CHUMTBHBVRKZEL-YADARESESA-N 499.612 2.675 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)n(C)c1=O 1690258433 GCAWXOBVYGDTPP-UHFFFAOYSA-N 484.626 2.653 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1690326835 DLENWGWIGWOCTJ-OALUTQOASA-N 473.025 2.673 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690369483 LSVIMLDBNPGQJE-LNVKXUELSA-N 464.526 2.645 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1690511157 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UIMDOGQUJYSNRK-UHFFFAOYSA-N 489.667 2.907 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C(N)=O)C2)cc1 1705909791 IDETUOJAXPYNQI-INIZCTEOSA-N 485.386 2.971 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)COC)CC1 1705913782 XYOBTGHJCWTYRT-UHFFFAOYSA-N 467.595 2.839 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1 1705926210 ZRJNQMFVXMEGHC-QYZOEREBSA-N 497.662 2.607 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 1705928757 HPUKAFBNWHDJSR-PXNSSMCTSA-N 474.556 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)CC 1705936856 ZPPFORXWABVOMQ-ZWKOTPCHSA-N 485.651 2.670 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1708356718 CCWGSVMVHQHNIE-APJQNUAFSA-N 481.601 2.566 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1709587665 CVZCGTHQLDSABN-HXUWFJFHSA-N 498.653 2.726 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCN2CCCCC2=O)c1 1722307300 UBUFNRBJWKIAFT-OAQYLSRUSA-N 464.570 2.588 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1722363397 SGQHZFPPXOOIGC-IBGZPJMESA-N 453.543 2.657 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722367667 WZKINIWAAJDNRN-VEDCXYSMSA-N 474.602 2.840 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](OCC)C(C)C)CC1 1722434423 RBPFANBVXCEWAZ-QFIPXVFZSA-N 473.643 2.555 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCN2CC)CC1 1722435798 PTPMYQQBAXRJGX-OAQYLSRUSA-N 452.603 2.592 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1722440172 FJKOMNQDHKTLMC-UHFFFAOYSA-N 485.654 2.587 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCOc2ncccc2F)CC1 1722443063 BDLXGQYSPJMSBZ-UHFFFAOYSA-N 478.528 2.533 30 10 JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722456386 XZHHGVCJSWVCHY-UHFFFAOYSA-N 455.676 2.645 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1722497762 BCNVFSIUTWARHI-HXUWFJFHSA-N 451.449 2.536 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1722518118 UUTYEUNRSOFFCM-HKUYNNGSSA-N 477.656 2.903 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740622994 MIKSWAYCWJXQAG-OAHLLOKOSA-N 473.546 2.571 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(N(C)C)nc1 1740663882 VMXJEZRLIVHVNQ-UHFFFAOYSA-N 466.615 2.515 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740714027 PGIMSBGLJHEYND-NRFANRHFSA-N 450.612 2.732 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740720583 DREUCWSLNBOMBS-UHFFFAOYSA-N 452.544 2.577 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740786174 SDLIFUSJTWKRDM-ZWKOTPCHSA-N 487.605 2.693 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740796144 PXRJILUQGIARPL-UHFFFAOYSA-N 498.584 2.855 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1740841297 VEBPDHOPPMRGAT-UHFFFAOYSA-N 464.595 2.596 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1740855144 LTYXDJTYDTWNQA-QHAWAJNXSA-N 471.627 2.993 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Oc2ncccc2F)CC1 1740953319 BUXGPLPVQSPQBU-UHFFFAOYSA-N 466.517 2.838 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740959749 DNQZRDZCTONBDN-HXUWFJFHSA-N 482.633 2.538 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740960815 CCHXHKKTTIGYTD-LJQANCHMSA-N 452.946 2.877 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1740980079 DURJIMNUXNXZPN-PZJWPPBQSA-N 495.546 2.922 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCSC1 1741674674 HIXSTTRFQOETQM-KRWDZBQOSA-N 457.579 2.507 30 10 JFEE CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1744387111 BSZLNVRHAHCJAB-LJQANCHMSA-N 457.600 2.984 30 10 JFEE 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30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCCN2CCC(C)CC2)CC1 1749010670 PCLBFAHWXGFEAV-UHFFFAOYSA-N 463.630 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749016968 RHLMOHKDXGUOCO-ZRZAMGCNSA-N 491.684 2.988 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749117992 BBPNGUAOWQYIDG-AQNXPRMDSA-N 478.638 2.613 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C(N)=O)nc2)CC1 1749330749 MMMRIMONFLAEFD-UHFFFAOYSA-N 470.375 2.991 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C(C)C 1749531287 FFJFCWPUXSEAGZ-REWPJTCUSA-N 457.600 2.651 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1749546839 FTWBTPYHNVTFGI-FQEVSTJZSA-N 491.633 2.623 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1749599922 NZPWSRSFARYDEH-INIZCTEOSA-N 454.980 2.529 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1749655948 VBQDSKIJZMISHL-FQEVSTJZSA-N 489.580 2.814 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749678024 SMCSEIZTBJPIGA-QAPCUYQASA-N 478.391 2.783 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(C)(COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681701 GHHFYTCXNBRPCL-HDICACEKSA-N 476.622 2.604 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1749739577 GVMYYOARIXBBKE-NRFANRHFSA-N 499.058 2.820 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749740853 ZGYNAXPOMAFWOT-KSZLIROESA-N 499.703 2.981 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H](c2ccsc2)O1 1752387434 GIKGBJMUSYRGPX-JXFKEZNVSA-N 487.607 2.801 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1nc(C)cc1C 1760201477 DBAJDNDXKBPUQH-UHFFFAOYSA-N 468.565 2.651 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC)N1CCCC1 1760216165 CRMJQJFBZIGHTJ-FQEVSTJZSA-N 457.582 2.529 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(CS(C)(=O)=O)CC1 1760244234 ODUAZQSTQUNAEZ-UHFFFAOYSA-N 481.416 2.618 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1760336715 HLTMRMZEUVGNTD-IRXDYDNUSA-N 455.625 2.743 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760342726 LSVIDIRWPBOHGL-LJQANCHMSA-N 457.600 2.667 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)N2CCOCC2)CC1 1760385642 YXYXFSFMNZNNJG-UHFFFAOYSA-N 464.339 2.862 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(NC(C)C)CC1 1760517153 FCIWYBZHDKTWMS-UHFFFAOYSA-N 491.434 2.985 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2[C@@H]2CCCO2)cc1 1760530200 LMYDOGMYSCDGEA-WMQCIHAUSA-N 475.615 2.649 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1760532014 ITMAHXYOOWSQDM-KRWDZBQOSA-N 453.465 2.797 30 10 JFEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)C(C)C)C[C@@H]2C)CC1 1760603752 YPOHNNNVRFGUKC-SQJMNOBHSA-N 492.672 2.536 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(F)ccc1N1CCOCC1 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C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1OC 1740734162 RZOUFBWXGNSRTC-HSZRJFAPSA-N 467.599 2.615 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 1740754498 TZZIURXWHKDLGW-JKIFEVAISA-N 463.380 2.719 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1740773704 BOPFJXBUEYGDTK-KNQAVFIVSA-N 489.642 2.970 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(Cc2ccsc2)CC1 1740961133 MWUWVZBUYWONMS-UHFFFAOYSA-N 450.612 2.863 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](CC(C)C)N(C)C)C1 1740978691 ASJGEWDVFDMBNN-UXHICEINSA-N 479.629 2.950 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC(=O)N(C)C[C@H]1C 1740987071 OOBAJRNTCXVJDM-LJQANCHMSA-N 496.637 2.620 30 10 JFEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C 1741316125 CCDNEUZRTLAOMA-STSQHVNTSA-N 494.662 2.860 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1742249473 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C=CCOc1ccc(/C=C\C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 97655112 ICMXXDRXGIXFBY-WQLSENKSSA-N 498.601 2.958 30 10 JFEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(S(N)(=O)=O)cc4)[C@@H]3c3ccncc3)ccc2O1 170359155 VENHBGKJRUPQQD-RCDICMHDSA-N 491.525 2.835 30 10 JFEE CC(=O)c1c(C)oc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)cc2O)c1C#N 170500698 DSLDUIOKLNTQNO-UHFFFAOYSA-N 457.240 2.929 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](CNS(=O)(=O)c4ccc(C)cc4)C3)cc2C1=O 513240890 OEQZGHADUQKQEM-SFHVURJKSA-N 481.574 2.608 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 521723855 RSORQVKDROUGJN-UHFFFAOYSA-N 462.528 2.815 30 10 JFEE C[C@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)o1 610487931 XDTBYHQADGMMRU-PXNSSMCTSA-N 459.571 2.800 30 10 JFEE COc1ccc(OC)c(CCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)c1 726399391 GDWFGSLFXYHYFL-NRFANRHFSA-N 496.589 2.646 30 10 JFEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668245 CVYUJZXOLDWABX-UHFFFAOYSA-N 477.549 2.748 30 10 JFEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O 757299420 OOAQYAFULQNICY-UZFJHSOTSA-N 464.518 2.906 30 10 JFEE C=CC[C@H](NC(=O)[C@@H]1OCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757450023 LHMXZAOPPMSQRQ-FDFHNCONSA-N 450.491 2.828 30 10 JFEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 1084334517 YFAQTQRNUNZNIJ-UHFFFAOYSA-N 496.431 2.976 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N=c2cc(CC)[nH]c3ccc([N+](=O)[O-])cc23)ccc1F 1127666236 CMLFDAZORGHHCC-UHFFFAOYSA-N 458.471 2.983 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)ccc1F 1146376286 HKWNSOLYURCMAK-INIZCTEOSA-N 457.568 2.959 30 10 JFEE C=CCNC(=O)CNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 1152531988 ISFXCCGSEKXPOU-GBXCKJPGSA-N 451.523 2.607 30 10 JFEE CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1199047522 CTXJTQGGDLPFIZ-UHFFFAOYSA-N 450.492 2.675 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](CC(C)C)NC(=O)OCC 1286280241 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C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286818185 CXHWHZMSFILRAD-HXUWFJFHSA-N 459.547 2.601 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1293849980 HGULFEUGQAHLGP-CEYNDMKZSA-N 466.586 2.753 30 10 JFEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1299287061 AANMNDAWHQMERN-SIKLNZKXSA-N 481.601 2.785 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@](C)(O)c2cc(C)oc2C)c1 1300336563 JRTIPBNLWKNQSL-RUZDIDTESA-N 465.554 2.988 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300499472 SHSVDECYLHUGKX-NRFANRHFSA-N 471.627 2.630 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1cccc(C(F)(F)F)n1 1300553791 SKWLPFZLEDHADF-LPHOPBHVSA-N 463.460 2.568 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300572347 SSUPJNFBNGZTKW-JOCHJYFZSA-N 465.565 2.780 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1300761252 JTLSGPDKANBLTP-OALUTQOASA-N 488.658 2.570 30 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465.627 2.808 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301450401 XJTIVXYATGMQMU-CVEARBPZSA-N 475.619 2.774 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301490260 OQYRWNIHJJOYAE-ZHRRBRCNSA-N 490.402 2.702 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)C)CC1 1301520905 SPCBGNYKJNBSCM-IBGZPJMESA-N 475.638 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301578183 TVLBUXZYOLESJF-GOSISDBHSA-N 472.640 2.886 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCN(C)C(C)(C)C2)cc1C 1304373708 ASFZDTJUJDTQGI-GOSISDBHSA-N 466.634 2.769 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@@H]2C1 1312624918 GCBOKMDXWHDZHE-QHAWAJNXSA-N 467.570 2.558 30 10 JFEE CCOc1c(Cl)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1OC 1314150948 AYHJPHZXFYOMDI-AWEZNQCLSA-N 497.021 2.737 30 10 JFEE C#CC[C@@]1(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)CCCN1C(=O)OC(C)(C)C 1352597230 AADDQBAGSCPNIN-VWLOTQADSA-N 455.555 2.773 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1358911793 CUPFCJIKUVLBKW-LJQANCHMSA-N 458.607 2.898 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955900 VXZUJEJQWWEDND-GOTSBHOMSA-N 469.655 2.939 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1358971698 FVWSYNHGONGHRW-ZJSXRUAMSA-N 452.580 2.627 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)C(=O)NC 1359019736 FMYIKHAPWHDPKT-UHFFFAOYSA-N 478.391 2.574 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1359122173 BDKRVNNQTVUZNP-ZWKOTPCHSA-N 458.567 2.596 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359294068 JGOGHCQHSWZGKB-KRWDZBQOSA-N 490.555 2.538 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1359332370 WBCIHVQBMWHYJZ-UHFFFAOYSA-N 462.601 2.883 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1C(C)(C)C 1359335463 MGCSXNIQHKTWDB-UHFFFAOYSA-N 475.615 2.635 30 10 JFEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1360283916 GXUODGOSAZEYRQ-OAQYLSRUSA-N 467.618 2.810 30 10 JFEE CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1435782595 CFBQJARXZWROPO-MRXNPFEDSA-N 456.568 2.608 30 10 JFEE C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)C1 1462820594 DVCRCJJQEPVAJL-AWEZNQCLSA-N 454.390 2.980 30 10 JFEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1494235118 FFDBTGKXSDRRKU-RHSMWYFYSA-N 450.465 2.745 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CCN1CC(F)(F)F 1494466685 FRXNFUULKADDKR-JCYUZIAUSA-N 496.559 2.713 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(=O)NCC)cc1 1507539347 VAFCFUGNPWVZLY-WIYYLYMNSA-N 496.612 2.842 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H](C)CN2CCOCC2)c1 1507547838 NOOHCBGLFPNIQM-VQTJNVASSA-N 452.603 2.816 30 10 JFEE C#CCN(c1nnc(C)n1C[C@@H](F)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1507624844 FGECLKULMAFYFC-DLBZAZTESA-N 455.353 2.687 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507632126 XHTMNZKIQDFDPS-GOSISDBHSA-N 455.584 2.868 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1507632698 ABHZOECOJQRGCD-SFHVURJKSA-N 450.605 2.776 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccnc1OC 1507676197 LPXCQDMMWOSSQR-BGYRXZFFSA-N 464.570 2.964 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCSCC1 1507705992 ZWLPPBFJBUZZHE-UHFFFAOYSA-N 450.008 2.742 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[S@](=O)C(C)(C)C)CC1 1507718615 ROFFZISPPIZYLC-YTTGMZPUSA-N 465.570 2.849 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507749186 WTXVFFUYSTXYOD-CQSZACIVSA-N 455.481 2.955 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1ccc(OC)cc1 1507765631 UAUKOXZXBZBNIR-IUKKYPGJSA-N 459.616 2.768 30 10 JFEE C=C(Br)Cn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1507793186 ONORVYWRIZBJRZ-JXFKEZNVSA-N 455.397 2.970 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)[C@H](C)C1 1507802842 CXKISDKGRVYSJF-JUXOCIIHSA-N 460.648 2.772 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1507820058 ADRMSXCRBGRUMU-IRXDYDNUSA-N 455.625 2.886 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1507843887 XHXDANSKLZCPOW-NRFANRHFSA-N 453.587 2.644 30 10 JFEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507946200 PIZRNYWLYKJLFC-UHFFFAOYSA-N 461.617 2.526 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N2CCCCCC2)C1 1508113507 GSNFMFHRBKYPGO-YKSBVNFPSA-N 461.607 2.504 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1508416353 FSVORZFGOWHCLP-KXBFYZLASA-N 480.491 2.575 30 10 JFEE C[C@H]1C[C@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1511985278 GNYGFPBXSZBQLL-ROUUACIJSA-N 474.656 2.678 30 10 JFEE N#Cc1cccc(OC2CCN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)(F)F)CC2)c1 1521082134 CMPNOHYWFCXNHJ-UHFFFAOYSA-N 485.470 2.938 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC=CO2)c1 1539040319 QWOOCXSWUIIIIK-BWKNWUBXSA-N 465.554 2.679 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1539044824 JJRYSFBGTMMXOZ-UHFFFAOYSA-N 474.968 2.975 30 10 JFEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539078781 HAUBJPFICLAJBA-UHFFFAOYSA-N 461.614 2.731 30 10 JFEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539139563 FKVATMSUDCHMQH-UHFFFAOYSA-N 454.021 2.719 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539142873 XKTPXBRQJQNNAZ-PMACEKPBSA-N 486.617 2.591 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1539211022 FPZXHZHZRKXJNQ-INIZCTEOSA-N 478.640 2.731 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N2CCCC2)CCOCC1 1539251414 FYADNYNSBGINHJ-UHFFFAOYSA-N 463.582 2.680 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(=O)(=O)CC 1539304967 KJFBJPQVHMIYCY-UHFFFAOYSA-N 498.834 2.763 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)c1cccc(Cl)c1 1539421734 WXXFVUMJFGWXSN-HSZRJFAPSA-N 456.978 2.787 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCC3(C2)OCCO3)n1 1539423953 IOIWIKRFGCIPCF-IBGZPJMESA-N 456.591 2.602 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC[C@H]2COCCO2)CC1 1539437906 JQCOHSIXJAPPLI-KRWDZBQOSA-N 494.821 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2CCC(OC)CC2)CC1 1539481896 POGUQSDUDLSFSF-NJEKYYFSSA-N 457.619 2.733 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1539505431 BXNMFBPWMUVEPE-HKUYNNGSSA-N 458.540 2.833 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCN(CC)S(C)(=O)=O 1539558090 AEDSQWGHUCWVQS-HSZRJFAPSA-N 459.616 2.541 30 10 JFEE C=C(C)Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539733634 IFHZOKSWNPMZLX-HXUWFJFHSA-N 459.513 2.790 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 1539751247 JFJOHKAIBRUGRP-OALUTQOASA-N 476.622 2.687 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1539803174 GJJNCRZELINTLC-WMLDXEAASA-N 457.959 2.700 30 10 JFEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1539811552 FFMSPOGIJJDWAK-UHFFFAOYSA-N 489.068 2.709 30 10 JFEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539953519 KHWTYQKJKJWPKK-UHFFFAOYSA-N 465.558 2.905 30 10 JFEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540027909 FWKSVIZXKUZQMK-JTHBVZDNSA-N 450.587 2.956 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1540169292 BWTUMLDHTORKQN-NRFANRHFSA-N 452.584 2.652 30 10 JFEE CCCN(C[C@@H]1COc2ccccc2O1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1540829610 GVSPGFQFDRWXKQ-IAGOWNOFSA-N 457.552 2.582 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1540870528 PPVYSZXDYWGAHW-QGZVFWFLSA-N 459.978 2.616 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1N(C)CCCC1(C)C 1541680776 CZHBQZZPNLDFFI-VXKWHMMOSA-N 479.629 2.986 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 1546330503 PVQBAGATJFNHTN-CYBMUJFWSA-N 457.980 2.943 30 10 JFEE CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1 1547704210 HASJBGDKRNHIHL-HXUWFJFHSA-N 467.618 2.632 30 10 JFEE N#CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCCS2(=O)=O)CC1 1555992108 GYZBUOJSMDWNGI-UHFFFAOYSA-N 499.424 2.939 30 10 JFEE C#CCN(C(=O)c1oc(S(N)(=O)=O)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1565764714 WDQJMNZCFNXLOB-CQSZACIVSA-N 453.314 2.597 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(c3cc(OC)cc(OC)c3)CC2)c1 1566389700 DELLYGWNAVJUCB-UHFFFAOYSA-N 459.568 2.521 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN(C)C2CCCC2)c1 1587689281 FBGNQZWGGCITHY-UHFFFAOYSA-N 458.570 2.666 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OCc1ccccc12 1587707086 WDBAHUXFEUCKLL-SFHVURJKSA-N 457.600 2.718 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588035372 SSIHBDFAHKMJED-SJLPKXTDSA-N 462.641 2.795 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C1CC1 1588124888 VMMIBZSJVRIENC-LJQANCHMSA-N 457.582 2.791 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(Cl)nc2)CC1 1588733407 RLPVMUWGYMQNNV-UHFFFAOYSA-N 484.391 2.713 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)[C@H](C)CCC)CC1 1588907798 GHCMFPFFTXMVMO-QGZVFWFLSA-N 486.020 2.512 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)nc2)CC1 1588955276 UYRFVJMGIJEXHC-UHFFFAOYSA-N 470.002 2.696 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1589070883 YPHBHRIDSVFEDN-VXKWHMMOSA-N 487.695 2.647 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1589493535 HSTWBTAVWJJYFQ-PSBKLILYSA-N 489.642 2.756 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1593696526 RTNZLGIAVNCBOB-OAQYLSRUSA-N 473.537 2.968 30 10 JFEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1594767627 VXEAORRZDAEBJO-UHFFFAOYSA-N 465.533 2.783 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1595162140 XGNWSIHGMRPANV-GOSISDBHSA-N 477.656 2.837 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1595577596 YAWJICUMLXTPFD-UHFFFAOYSA-N 467.492 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CC=CCC1 1595788941 LKFFCNXRKYYYBQ-GOSISDBHSA-N 492.671 2.632 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC([C@H]2CCOC2)CC1 1595812533 XNGCGURXVIYQDS-IBGZPJMESA-N 450.630 2.784 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1occc1C 1613586074 HDGNTBIRBJDNHO-UHFFFAOYSA-N 462.558 2.740 30 10 JFEE C=CCOc1ccc(CC(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cc1 1616629862 QYTYRNQJJSVQCR-UHFFFAOYSA-N 450.520 2.974 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](SC)C(C)(C)C)CC1=O 1619938586 BFNZCUUVFORTOS-IBGZPJMESA-N 456.616 2.889 30 10 JFEE C#CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1629613057 SHECKJHLYPTXCL-QGZVFWFLSA-N 454.426 2.801 30 10 JFEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1643465929 HQRZAHKEPLGBLY-UZKOGDIHSA-N 458.578 2.834 30 10 JFEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 1644252040 QSCDQXQUSWPDRX-WTGUMLROSA-N 451.608 2.894 30 10 JFEE C#CC[C@]1(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CCCN1C(=O)OC(C)(C)C 1651221101 NVEUTSXAXKCWJK-XMMPIXPASA-N 455.511 2.684 30 10 JFEE CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1653628287 FVSTVOVYGBWPGJ-PMACEKPBSA-N 455.559 2.980 30 10 JFEE C#CCN(Cc1ccccc1)Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1658575902 HPSBJEXUJSMEJG-UHFFFAOYSA-N 452.580 2.713 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccnc1N1CCOCC1 1689833532 LODMIADHEKHZCE-MRXNPFEDSA-N 484.402 2.784 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689938735 UZPHJLJTGQPKQD-CVDCTZTESA-N 485.032 2.913 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1690112010 OJRIHKWQYRSNSX-SFHVURJKSA-N 481.576 2.665 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2nnc(C)s2)CC1 1690115189 WHUTYXGJZIGQKU-UHFFFAOYSA-N 459.526 2.704 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CCOC 1690206122 IAEHUEOJUSIBRI-NBGIEHNGSA-N 490.649 2.547 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690222459 WBBLQVZBDNSUFY-HNNXBMFYSA-N 473.393 2.785 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1690245407 HYBGJUKZHRQLRJ-VANSVMOCSA-N 492.667 2.535 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690251740 YPOFNHJDYLOXEV-MNHFLQJXSA-N 454.619 2.791 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1690661916 LBUODGGKWCHCAY-IRXDYDNUSA-N 479.423 2.988 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2cccs2)CC1 1690666037 WZSXVZKJZLSQNF-UHFFFAOYSA-N 482.610 2.648 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C[C@@H]1CCOC1)C1CC1 1690671207 QVUUDQVXFPZLSK-SFHVURJKSA-N 488.633 2.700 30 10 JFEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690674162 RBFGLJAWQUNHPP-UHFFFAOYSA-N 456.978 2.539 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(C)n(C)c2=O)C1 1690711700 GSMYZFRIEUSNIP-FQEVSTJZSA-N 465.554 2.702 30 10 JFEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690744658 RBPOYOCZUVHJEA-NRFANRHFSA-N 476.691 2.964 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)[C@H](C)C1=O 1692430696 HVPZNVDXHQLLHU-CLOONOSVSA-N 466.586 2.991 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCSCC1 1692834321 IDYDZKGSPACPPG-APWZRJJASA-N 463.007 2.849 30 10 JFEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1694106957 BIEBJKRWGVWACY-WOJBJXKFSA-N 485.658 2.661 30 10 JFEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)CC1)S(C)(=O)=O 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C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](CC)OC)CC1 1705645131 LPFSEDJZMLGPIZ-FQEVSTJZSA-N 461.570 2.726 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN(CC)C(C)C)CC1 1705649033 HUUPHEXTHHWLCR-UHFFFAOYSA-N 452.603 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1705650073 KYNWQHSULHRZSB-HSZRJFAPSA-N 492.668 2.986 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1705694115 ODBYUBPGEBOQSP-WPMNCUPHSA-N 459.616 2.771 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705699985 NQVIFZOUBPCFDE-FIXSFTCYSA-N 488.677 2.534 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705703873 XBLUMVWSEMDRMG-REWPJTCUSA-N 458.651 2.592 30 10 JFEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705734595 VCIWQHKABMOKPG-IBGZPJMESA-N 458.563 2.663 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705896631 SMYLRCACSMAWKW-STQMWFEESA-N 454.394 2.933 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)SC)C1 1705922487 NMVSCTRGMYNCND-HZPDHXFCSA-N 450.634 2.771 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1705935681 AFIAAOUEVSPCDX-FQEVSTJZSA-N 460.600 2.609 30 10 JFEE C[C@@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1708055563 DTRGLTFVFDTMGI-HXUWFJFHSA-N 485.658 2.553 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)cc1 1710542435 HLXJRFZBOKNXLU-JLGINSKQSA-N 486.642 2.983 30 10 JFEE N#CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNC(=O)c2cc[nH]n2)CC1 1712881649 CJMSUHOVNGBHNK-UHFFFAOYSA-N 487.337 2.740 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCN2CCN(CC)CC2)c1 1722308912 HVBCESPVIGDBOI-DEOSSOPVSA-N 493.656 2.604 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722336202 JTMDTYZVMCHVON-GOSISDBHSA-N 468.583 2.779 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1722366985 JZCNHJLKIUUKSQ-HOTGVXAUSA-N 499.456 2.671 30 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C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(C)(C)O)c2)C1 1722709705 WHTGHWJOEHMTDI-FQEVSTJZSA-N 462.554 2.982 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCc3ccccc32)CC1 1722733273 YWCDKVISZXTDRM-GOSISDBHSA-N 490.699 2.839 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722738652 NCNDCJLCVKUDCV-XMSQKQJNSA-N 497.086 2.937 30 10 JFEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C 1728612900 ALWDULVRZYMZJB-NFBKMPQASA-N 451.619 2.704 30 10 JFEE CN(CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1)C1CCCC1 1729529025 CSHORHSFKXAOMD-UHFFFAOYSA-N 485.658 2.810 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCNC(=O)c1ccco1 1740634029 CAJJBPDUSQZOQC-UHFFFAOYSA-N 452.312 2.803 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCOC[C@H]1OC 1740635407 NXFLFNFZUSIXLV-HNAYVOBHSA-N 461.335 2.971 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nnc(C)s1 1740671374 GANPBNQTSLOTGL-KRWDZBQOSA-N 475.619 2.839 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCc1nnc(C)s1 1740680981 UWEJVBXDGJIZIQ-UHFFFAOYSA-N 478.420 2.925 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)N(C)C)CC1 1740704292 NDZPUJUMPJKEEX-HXUWFJFHSA-N 463.611 2.670 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740719117 HWHCGRZMOSFGAB-UHFFFAOYSA-N 491.665 2.924 30 10 JFEE C#CCSCCn1c(N2CCc3cc(OC)c(OC)cc3CC2)nnc1[C@]1(OCC)CCOC1 1740722561 HEAWDLUOIAZSIY-VWLOTQADSA-N 486.638 2.919 30 10 JFEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1740743162 NTWCKEMTQSHZNF-UHFFFAOYSA-N 465.440 2.883 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740781212 SCSGSQSNCCTQOZ-HNNXBMFYSA-N 471.553 2.887 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1740782791 PWBZCYQGJIWOEC-FCHUYYIVSA-N 484.626 2.518 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC)C1CC1 1740909867 BMZSSCZZWVXYFR-OAQYLSRUSA-N 475.615 2.521 30 10 JFEE 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2.540 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[S@@](=O)CC)c1 1587689532 KDLBXITTWHRZCB-YTTGMZPUSA-N 470.986 2.818 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1587860974 DLVPLVCIBZQHLN-GOSISDBHSA-N 485.532 2.680 30 10 JFEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1587999285 SWTPIGQVBHMWBO-IBGZPJMESA-N 451.493 2.600 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588045512 MBRJMIJZOOOSQD-IFMALSPDSA-N 455.628 2.692 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588069260 KPXBJGBQKUXKKQ-HXUWFJFHSA-N 472.611 2.751 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588800387 DMWIZNZUYOOCLX-AZUAARDMSA-N 453.591 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1588930373 UNJVBHIGOZTAOY-QGZVFWFLSA-N 479.478 2.954 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1594608113 FSPDVPGVSIWHRU-ROUUACIJSA-N 462.620 2.835 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1594608569 PDKNUDPTYLSPTQ-KRWDZBQOSA-N 465.558 2.825 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(CCO)Cc1ccc(Br)s1 1595543916 BLRCXVIBVLDUMY-OAHLLOKOSA-N 484.420 2.645 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1595766090 MAYYVMXZQHJRLA-GOEBONIOSA-N 486.436 2.651 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1595776721 DNFPTDABGQWPEI-LJQANCHMSA-N 460.600 2.629 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1595896132 VFZWCCXPSTUXSA-QGZVFWFLSA-N 464.636 2.671 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nccc3c(S(N)(=O)=O)cccc23)cc1 1597600899 HQNBJNSFXKGOJT-UHFFFAOYSA-N 450.520 2.949 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CCN1CCOC 1614259807 AECCUBIGWOGVAK-ZRBLBEILSA-N 482.629 2.827 30 10 JFEE N#CCc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1618179877 CMNCZLCFRKZRMJ-UHFFFAOYSA-N 454.371 2.723 30 10 JFEE COC1CCN(C(C)(C)Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1619506947 HPIYQULVJQPPGU-HXUWFJFHSA-N 495.676 2.743 30 10 JFEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1644602754 DKRCMKNKXNVLHO-IBGZPJMESA-N 455.580 2.506 30 10 JFEE C=CCn1c(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)nc2sccc2c1=O 1656076259 JPFFKWKEAZZOMM-UHFFFAOYSA-N 453.542 2.917 30 10 JFEE C=C[C@@H]1CCCCN1C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1678840681 VQTDPBCLMUNPIP-GOSISDBHSA-N 451.589 2.855 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)N[C@H](C)CCc1ccc(I)cc1 1680909593 NCDYJXUNICFNQX-CYBMUJFWSA-N 450.342 2.512 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCCCC2)c1 1689872183 QYHGFAUJDKPJJB-JOCHJYFZSA-N 478.597 2.979 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1689882746 KIXAMNOXMJRUKR-FQEVSTJZSA-N 457.600 2.762 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689984965 ZEQFIDRFMVDFSG-OAQYLSRUSA-N 473.643 2.985 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689997227 YCZUHJAEZCTVDH-GWJPWWOOSA-N 495.045 2.934 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690115781 TZMKEHJHQILQKP-IBGZPJMESA-N 482.938 2.617 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1690157727 NQHPMOIUTLAAAU-GOSISDBHSA-N 469.590 2.984 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1690236966 UHROIDAXFRAJKG-ICSRJNTNSA-N 456.547 2.985 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CCS(C)(=O)=O)C1CC1 1690250964 NNXQMNJVCPDCSA-YLJYHZDGSA-N 450.630 2.925 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690306316 SWYAHBIEMJIFOF-UHFFFAOYSA-N 480.569 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2ccc(OCC)cc2C1 1690720932 VJWGXRQVYPJXKK-UHFFFAOYSA-N 453.568 2.902 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2cncn2)CC1 1690736407 CZSQGGANAWHOTE-UHFFFAOYSA-N 487.655 2.776 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1690778521 ACQISUJHHFERQP-UHFFFAOYSA-N 476.585 2.840 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H](C)N(C)C)cc1C 1693114669 BTJQDOCFUZBSOO-FQEVSTJZSA-N 487.612 2.691 30 10 JFEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC#N)CCCO1 1693842060 AZLYDVYQPYVJST-PMACEKPBSA-N 451.575 2.968 30 10 JFEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695607288 HEQWCFNZVBLXBM-LJQANCHMSA-N 486.628 2.787 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@H](C)O1 1697893117 DQKGOPNZXOWGGW-LPHOPBHVSA-N 466.508 2.941 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1705490671 OPRHJEOYJCNTOX-JKSUJKDBSA-N 458.563 2.967 30 10 JFEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1705533341 LMINJPXJNHJOGY-GOSISDBHSA-N 453.543 2.708 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CN(C)CC)c1 1705550793 XKUFZOGPMINWMO-UHFFFAOYSA-N 465.627 2.808 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCN1C[C@H](C)O[C@H](C)C1 1705575223 DCBDDZONASMCLK-HDICACEKSA-N 473.419 2.618 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccnc(OC(F)F)c1 1705580006 BGFXINMRQCVMLW-UHFFFAOYSA-N 489.486 2.792 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1705596249 YJFUGUZKNJHSHA-HSZRJFAPSA-N 471.609 2.868 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cc[nH]n1 1705619605 WIBPQTDYCSHELC-UHFFFAOYSA-N 478.919 2.926 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCSCc2ccc(C)cc2)CC1 1705648712 WZWIEHRSAIMKEA-QFIPXVFZSA-N 467.639 2.990 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCC[C@H]2OC)CC1 1705650668 WRXDMKXJQJHJTH-FYYLOGMGSA-N 465.598 2.658 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1nncn1C 1705656528 AGHLFCCWWSVQFC-GOSISDBHSA-N 453.572 2.799 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705696482 NZUCFLWQAYOWIX-KPFFTGBYSA-N 495.049 2.740 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2F)CC1 1705832259 RSLZQPVFIZBDAG-UHFFFAOYSA-N 454.554 2.593 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)C(C)(C)C 1705863147 JIVJZPVLIIMDMH-UHFFFAOYSA-N 465.595 2.961 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1705875980 MDJPDLMTHRHLIZ-FQEVSTJZSA-N 482.585 2.912 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1705896332 JFRPRFFXZWPAOE-UHFFFAOYSA-N 480.594 2.716 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705907862 ZZTCOOFREPBEII-UHFFFAOYSA-N 493.637 2.515 30 10 JFEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)cc1 1705909875 KMCVHQXTLYTUMV-FQEVSTJZSA-N 452.559 2.781 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(CC(F)(F)F)CC2)C1 1705917211 RSDOUYCWNIQZOR-SIKLNZKXSA-N 487.567 2.986 30 10 JFEE C=CCSCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705948801 FRDDUWBYSXKXLU-XZOQPEGZSA-N 465.664 2.539 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCC(C(F)(F)F)CC1 1706848799 HICIZWQOGYZTHQ-LMRVLLHPSA-N 450.531 2.995 30 10 JFEE COC(=O)N1CCC(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)C[C@@H](C)C#N)CC1 1711465891 DFUBTRXWLMIIBH-OXJNMPFZSA-N 454.531 2.865 30 10 JFEE COC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1711482866 HRXNMXVEBVTZPY-IBGZPJMESA-N 461.526 2.800 30 10 JFEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](OC)C2)CCOCC1 1712205383 HLTWKVJEPXRCQT-NRFANRHFSA-N 455.559 2.787 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2CC(F)(F)F)c1 1722305071 CNBHDDANSBJQSV-UHFFFAOYSA-N 450.465 2.815 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)c1c(C)noc1C 1722345627 IESGRBDXOMHZTD-HNNXBMFYSA-N 456.572 2.673 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722346331 OZPNNCUVARYIKU-NTKDMRAZSA-N 472.659 2.775 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722358788 GDIBQKUTXNXJJX-ZJSXRUAMSA-N 499.681 2.635 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722366453 QDOXWSAFAYOWOO-DHIUTWEWSA-N 499.681 2.769 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1722368145 ZYVVFOQMDDPHBZ-GOSISDBHSA-N 469.954 2.662 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1722386299 SQRNHADDDQHVJP-AREMUKBSSA-N 479.650 2.755 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722416440 MUAGBHDLRZNHIB-QFIPXVFZSA-N 461.570 2.765 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1722423219 XZRICTSVRRZHTR-OAQYLSRUSA-N 489.617 2.826 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(CC)c1 1722429124 NZJPPZCMCJVXRN-HXUWFJFHSA-N 471.606 2.743 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722430660 HWGMPAUGDRRNOE-PKTZIBPZSA-N 497.663 2.586 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722470743 XDFDTNKHBHATFU-PXDATVDWSA-N 479.585 2.788 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1)c1ccccc1 1722539832 ARHFCEYDTYRHLX-BJLQDIEVSA-N 477.656 2.655 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1722551762 FWDWBYOCDROTKN-IRXDYDNUSA-N 480.997 2.540 30 10 JFEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722552680 UNBGIWVOXAUUBW-SFHVURJKSA-N 456.971 2.791 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722615099 ZYVGJAZEFOQUDD-UHFFFAOYSA-N 480.660 2.608 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1 1722696723 DHOHWFNNSROVKY-UHFFFAOYSA-N 461.526 2.597 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@H]21 1722727704 KSTYSQKJPKCVMW-RBUKOAKNSA-N 479.647 2.982 30 10 JFEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCCN(C)CCOC 1727602687 GUHKQIHHAICOSB-UHFFFAOYSA-N 462.602 2.555 30 10 JFEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1729748398 BWVRTCWEPGSMJH-HXUWFJFHSA-N 450.543 2.609 30 10 JFEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1729927359 IFVWOHPQAGVSBB-VWLOTQADSA-N 482.629 2.969 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C(=O)NCC 1740637810 IGBKCPDXLPWGHB-UHFFFAOYSA-N 470.618 2.628 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)NCCC)CC1 1740691122 VASSATYFDIUHIT-NRFANRHFSA-N 452.603 2.706 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[C@@H]2COCCO2)CC1 1740702113 IMAOSFFJRRDGEQ-FYYLOGMGSA-N 495.624 2.806 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCCC[C@@H]2CC)CC1 1740705110 CDVZOBDNBPSIJP-QFIPXVFZSA-N 463.630 2.879 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740712859 WKPFIGZKBZXIFG-UHFFFAOYSA-N 473.046 2.709 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740805099 JOIKVOZVWZOJOP-JOCHJYFZSA-N 474.949 2.529 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1C 1740938846 NHZXYQLSHCRKHH-UHFFFAOYSA-N 462.352 2.532 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccc(C(F)F)n1 1741124000 AMUALNYWVTYYRM-CQSZACIVSA-N 490.540 2.567 30 10 JFEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1745681138 CQLJLAMHAXOSSI-IBGZPJMESA-N 456.616 2.562 30 10 JFEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1747419003 IFQLNIYRZSHXDB-HXUWFJFHSA-N 485.532 2.781 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1748690727 WOIKAZNIWYXLEO-GBESFXJTSA-N 460.623 2.618 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC2CCC(C)CC2)CC1 1748731902 OAWGRKFRAXIPTD-JLAWEPINSA-N 451.637 2.866 30 10 JFEE C#CCCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748764234 IRANUEPWVBQEBZ-BGYRXZFFSA-N 472.634 2.763 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)cc1OCCOC 1748770526 AOOBQTWLDOFAMH-UHFFFAOYSA-N 496.637 2.998 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1748808275 JFLXNFRSORABQD-DRKIFQHWSA-N 494.708 2.671 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748810652 ZCKBMRRMUNUWPS-LJQANCHMSA-N 479.050 2.739 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCN(C(C)C)CC1 1748882504 VMYYQMWWZYZSDW-UHFFFAOYSA-N 450.543 2.552 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@H](C)SC)CC1 1748987619 YQZJACGVTZDELZ-GOSISDBHSA-N 465.627 2.743 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 1749024677 YLURUFVLFKJBLS-UHFFFAOYSA-N 471.627 2.630 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749175260 BDYNFPGSIIRIGM-CYFREDJKSA-N 482.629 2.917 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1749457777 QKFOOBKAPWYPMW-NRFANRHFSA-N 474.627 2.649 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1749499115 ATDVRXIOMHVKDS-MRXNPFEDSA-N 484.420 2.666 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749682587 VXHHWILXIAPCCR-QRVBRYPASA-N 474.606 2.515 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCN(C(C)=O)CC2)C1 1749719444 VONPRWUJYBDZNP-QHCPKHFHSA-N 469.586 2.906 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749767227 VBFLXABJCJDVCP-ROUUACIJSA-N 451.637 2.616 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(S(C)(=O)=O)cc1 1760101941 XAIVJBBHKYEQOT-ZDUSSCGKSA-N 462.373 2.945 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184385 WREFCNCQLKTSTO-JOCHJYFZSA-N 467.595 2.650 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2Cc2nnc3n2CCCCC3)n1 1760252759 QQEAVCGRZBNHGS-UHFFFAOYSA-N 479.633 2.716 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1760295492 TZLLVMNAPXMNSL-DENIHFKCSA-N 493.580 2.763 30 10 JFEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760354409 ZSGXDJSVGIJPPA-QHCPKHFHSA-N 466.630 2.843 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1760401214 CMRWTSSINWKQLV-RBBKRZOGSA-N 473.643 2.894 30 10 JFEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760446565 VYFNDDPPRDTMMG-QFIPXVFZSA-N 453.587 2.928 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760510630 HBRGKDXJYPIVFR-HKUYNNGSSA-N 457.579 2.890 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1760523591 CDRUHTPLLSRLKN-RBBKRZOGSA-N 457.550 2.911 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1760525634 MAOFWLTVZCRYRV-NRFANRHFSA-N 462.554 2.925 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1763660010 BEAOEXJFDDHEIA-QPPBQGQZSA-N 492.672 2.728 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1767099476 AXDAVERYFMSYAC-RBUKOAKNSA-N 455.607 2.584 30 10 JFEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@](C)(O)CCC(C)C)CCOC1 1767472775 IFZAUCIFMVUGCN-UIOOFZCWSA-N 497.644 2.711 30 10 JFEE CO[C@]1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)CCOC1 1769770617 BJIDWAWIZIQDAB-DVECYGJZSA-N 474.606 2.938 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN(c2nccc(OC)n2)CC1 1772543533 PHHDJLZVYODJFQ-UHFFFAOYSA-N 465.558 2.957 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1772567212 UVWNHOLNZSSBFL-DYESRHJHSA-N 474.556 2.983 30 10 JFEE Cc1cc([N+](=O)[O-])ccc1-n1cc(/C=N\NC(N)=S)c(-c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)n1 1857808130 PZXCJVJSLJLGGT-XTIPGYMKSA-N 479.522 2.667 30 10 JFEE COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)nc2)cc1 1858441948 IQXRPGUMAQEXEH-UHFFFAOYSA-N 477.546 2.725 30 10 JFEE N#Cc1ccccc1NC(=O)CCc1nnc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])nc1O 1860872667 SXMHQPKBRSKZMR-PKNBQFBNSA-N 459.422 2.580 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCN(C)C)cc1O 1862460857 REERFNVYQONXGX-LJQANCHMSA-N 450.413 2.958 30 10 JFEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2C(=O)O)cc1 1862519275 GUPHCNONTRDJCJ-OAQYLSRUSA-N 466.490 2.888 30 10 JFEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868794516 COCOHXGSZZSQCG-VQTJNVASSA-N 474.627 2.675 30 10 JFEE CCOc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OCC 1870098429 DHIJLQYMHWEBBV-UHFFFAOYSA-N 473.511 2.754 30 10 JFEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870150346 CIQFVFKIRTXESH-CQSZACIVSA-N 464.869 2.791 30 10 JFEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155274 FHQKKNLWPWXWMY-UHFFFAOYSA-N 473.449 2.624 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC2CCCCC2)cn1CCCN1CCOCC1 1870492953 UACWNMULMOYWPQ-UHFFFAOYSA-N 486.657 2.572 30 10 JFEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)cc1CN(CCOC)CCOC 1870703222 XUUWCJBHCRAEEI-UHFFFAOYSA-N 493.988 2.809 30 10 JFEE N#Cc1ccc(COc2cn(C[C@H]3CCCO3)c(CNc3ccc(S(N)(=O)=O)cc3)cc2=O)cc1 1871252260 RKQIMZHXJDSQSQ-JOCHJYFZSA-N 494.573 2.737 30 10 JFEE NS(=O)(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871421811 MGXXJEABZHGEFL-NHDPSOOVSA-N 495.469 2.876 30 10 JFEE C=C(C)CN([C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1)S(C)(=O)=O 1872283753 LAEWXCCNIGEFGD-QHCPKHFHSA-N 456.612 2.956 30 10 JFEE CCCCCCCCN1C[C@@H](C(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)CC1=O 1872925285 DHQYTHATCVPRIV-QFIPXVFZSA-N 476.662 2.563 30 10 JFEE C=CCn1c(C(=O)NCCCOC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873591371 HSSARLZQOVYKGN-UHFFFAOYSA-N 464.570 2.719 30 10 JFEE CCc1cccc(C)c1N1C[C@@H](C(=O)NC2=C(c3nc(C)cs3)C(=O)CN2CCOC)CC1=O 1873710799 UWDIYJDOSZTAPT-SFHVURJKSA-N 482.606 2.691 30 10 JFEE COC(=O)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1O 1874222047 HOWKGKVESXYHNV-YDZHTSKRSA-N 456.524 2.933 30 10 JFEE CC(C)COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874342119 ZWCNFZRGQZTESU-ZLAIJAOWSA-N 475.571 2.587 30 10 JFEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)cc2)c1 1891718255 ZNIPAZCPOUTGGU-QFIPXVFZSA-N 492.557 2.734 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C(F)(F)C1 2141667993 OFNAWNFDTDLLKP-CQSZACIVSA-N 453.295 2.822 30 10 JFEE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180990447 FEEYBYAKFIRPRJ-ZACQAIPSSA-N 458.368 2.750 30 10 JFEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C[C@@H](N)C#Cc2ccccc2Br)C1 2235728277 LIQQHGNSNWFCFH-HOTGVXAUSA-N 457.390 2.552 30 10 JFEE CC(C)(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247902709 XOGIXSZAYSVYHX-UHFFFAOYSA-N 460.427 2.629 30 10 JFEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255540783 RVRJSGSVYOWYNQ-KWUMSVIQSA-N 455.361 2.568 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255646461 OAPOTWPESDJQLV-AWEZNQCLSA-N 451.398 2.914 30 10 JFEE C=C(CS(=O)(=O)NCC1CC2(CCN2C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255794266 JKKITDJSGUSTDF-UHFFFAOYSA-N 456.414 2.883 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255808790 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CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C(F)(F)C1 2267554713 DMNYJHRSHYDYRV-AWEZNQCLSA-N 456.295 2.953 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]2C[C@@H]21 2268651776 YHOBPJLNQYMPOJ-LIEFOEBCSA-N 463.409 2.752 30 10 JFEE CO[C@@H]1C[C@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)N(C(=O)OC(C)(C)C)C1 2268656737 AEZARLWVFHIGLI-NVXWUHKLSA-N 466.409 2.688 30 10 JFEE CC(C)[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268779219 YJKBKJJHURHYME-IVZQSRNASA-N 465.425 2.998 30 10 JFEE CC(C)(C)OC(=O)NOC(C)(C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269685273 FDEGNYVQFIPYFH-UHFFFAOYSA-N 452.332 2.976 30 10 JFEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2281955493 LYNPIGJJOVKUNE-UHFFFAOYSA-N 457.340 2.738 30 10 JFEE Cn1nc(C(=O)NCC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281970368 FIHZASUXDPZFFB-HOTGVXAUSA-N 462.400 2.533 30 10 JFEE 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C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286824722 HEFOMSIYWJAPDX-FPXQBCRKSA-N 493.457 2.623 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1286824724 HEFOMSIYWJAPDX-RCJHGTSTSA-N 493.457 2.623 30 10 JFEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286825664 NRHKJSPHRYHPIO-UHFFFAOYSA-N 487.655 2.772 30 10 JFEE C=CCSCCn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286836068 GRIFPOXWZDYKGD-LPHOPBHVSA-N 463.570 2.922 30 10 JFEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1287085643 FMDKLMMHCGXTCQ-AUSOSSAASA-N 470.643 2.523 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)cc1 1295174802 VLKDDFIGLLPHCH-FCHUYYIVSA-N 453.568 2.849 30 10 JFEE C=CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)[C@H](Cc1ccccc1)C(=O)OCC 1296419875 CTCDIJATKSIMDO-RTWAWAEBSA-N 459.587 2.727 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300324474 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498.447 2.659 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(OC)C1 1301568720 JJOQMPPZBSYIRN-HNNXBMFYSA-N 454.980 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301586862 VCZFSXWLZAYHMA-QGZVFWFLSA-N 467.636 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2cc(F)cc(F)c2C1 1301587390 OEDAUTLTMWYKOS-UHFFFAOYSA-N 459.522 2.706 30 10 JFEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)CC1 1301664379 IFTAPTZKIWAYCJ-BGYRXZFFSA-N 479.629 2.621 30 10 JFEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1302274727 FFJIQVIJMBMWMO-PMACEKPBSA-N 468.558 2.756 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccnc(OCC(F)(F)F)c2)cc1 1302988983 FYNSIOIGYAPUCE-UHFFFAOYSA-N 485.470 2.903 30 10 JFEE CC(C)NC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1303452377 CQKHEIVMFXMMHG-UHFFFAOYSA-N 478.988 2.640 30 10 JFEE C[C@H]1CCCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1305028071 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1464748129 HRULPUVQWUFESO-FQEVSTJZSA-N 453.008 2.821 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3C[C@@](C)(O)CCC(C)C)CC2)c1C#N 1492727634 BLCULYRKCVMEAH-VWLOTQADSA-N 477.617 2.768 30 10 JFEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F 1503617976 DRXKHBHORAUCBJ-UHFFFAOYSA-N 479.560 2.977 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1507559083 ZXVKKSDHHKTPPK-JTSKRJEESA-N 480.034 2.529 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1507630828 INLHDQRHUDGTGM-KRWDZBQOSA-N 455.609 2.972 30 10 JFEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507676553 NJZGTIPWTZYZOC-SFHVURJKSA-N 470.986 2.675 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2Cc2c(C)nn(C)c2C)n1 1507716950 PDRLSEZOPBVLLV-UHFFFAOYSA-N 462.558 2.728 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCn2cccn2)CC1 1507718013 KRZPDKMMYBLDKU-UHFFFAOYSA-N 484.402 2.758 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cscc2C(F)(F)F)CC1 1507718679 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470.498 2.723 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1cn(C2COC2)nn1 1508038129 QUAQWXBYBUUJMR-UHFFFAOYSA-N 480.392 2.619 30 10 JFEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1508068181 UPBBHUDGYMSNDR-WOJBJXKFSA-N 455.607 2.763 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508078475 BIJUZAPBAHHFBH-MRXNPFEDSA-N 489.418 2.751 30 10 JFEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1508088425 RXEGRKGVSMZLRV-MRXNPFEDSA-N 465.558 2.680 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1508088479 YGLAWZDTZTYTAH-QFBILLFUSA-N 472.565 2.660 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1508089914 KVWZKERTCSISEC-MISYRCLQSA-N 488.633 2.699 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2NC(=O)CC2(C)C)C1 1508115508 KBPRGUXFRNLERT-FXAWDEMLSA-N 455.559 2.658 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508167302 HKMCAOPHGIHRKS-UYAOXDASSA-N 473.647 2.703 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1508691344 CEMMXLCDPJTUFS-UHFFFAOYSA-N 484.548 2.714 30 10 JFEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1515509678 HRMPPRUZEBZBDU-UZLBHIALSA-N 450.547 2.816 30 10 JFEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CCC2(O)CCOCC2)cc(OC)c1OC 1517961806 FGLHBOCXZAOSCU-UHFFFAOYSA-N 471.558 2.642 30 10 JFEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1518354489 BNVMHIDSUAPPTC-CRAIPNDOSA-N 452.481 2.955 30 10 JFEE N#CCCN(C(=O)CCC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)c1ccccc1 1532754613 DYIJVNOZSUGXSN-IAGOWNOFSA-N 450.461 2.583 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCO[C@H](C)C1 1538974283 URAIJVQNFKXWHT-RBUKOAKNSA-N 487.674 2.505 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539002449 DDQHAKINTMEZAV-XUVXKRRUSA-N 477.613 2.632 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1539004950 XAEZUDHHRRHZRL-HXUWFJFHSA-N 491.640 2.758 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1c[nH]nc1C 1539026207 RRVURMVQEGMLEX-NRFANRHFSA-N 460.630 2.765 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539204044 YDVMGZZGEALXTC-URVUXULASA-N 457.644 2.939 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539221897 SHEYRPGSKQNXAD-MOPGFXCFSA-N 477.656 2.934 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539229696 HGDIFDBELINLLK-LRSLUSHPSA-N 486.638 2.996 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1539409039 MHMQUWROTVZQNR-UXHICEINSA-N 478.597 2.702 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)CC1 1539468766 IMMCIUGUGXINPR-KRWDZBQOSA-N 499.015 2.564 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539488102 HBNCGKGMEQAPEM-XZOQPEGZSA-N 492.668 2.986 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)c1 1539795174 HDIVJCTYNVXFRX-UHFFFAOYSA-N 453.608 2.734 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1540875182 DCWYVPCUNMUKOP-OALUTQOASA-N 457.550 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540908945 SJRPPAXQWMOAFC-XLAORIBOSA-N 467.636 2.884 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1540946557 FAVPBQWXYXFKIQ-JJVXONKQSA-N 486.642 2.581 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)Cc1ccon1 1541799443 FVFKPMGFJPAPBM-CYBMUJFWSA-N 481.941 2.584 30 10 JFEE COc1ccc(C2(C(=O)N3CCN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@H]3C(N)=O)CC2)cc1 1548369123 ABWIWDGTZXIRLP-HXUWFJFHSA-N 472.467 2.820 30 10 JFEE Cc1cc(C(=O)N2C[C@@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)no1 1548375298 HJCKAROPZXUGJU-KRWDZBQOSA-N 461.444 2.718 30 10 JFEE COCCNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)N(C)C 1548380139 RNIATYAYBJDPGV-IBGZPJMESA-N 481.519 2.540 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C)[C@@H]1CCSC1 1554122328 IELUYHCMYNUGFY-LJQANCHMSA-N 456.616 2.781 30 10 JFEE C#C[C@H](CO)NC(=O)C1(c2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1 1556796107 OSEMKCJEVVYSBQ-QGZVFWFLSA-N 451.361 2.828 30 10 JFEE C#C[C@@H]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3cc(OC)cc(OC)c3)c2)C1 1557237870 DNSRHVZCPXOJEC-MRXNPFEDSA-N 458.536 2.999 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccn(Cc4cccc(OC)n4)c3=O)n[nH]2)c1C 1558808408 KZSNBFYXHBFUIO-UHFFFAOYSA-N 459.510 2.942 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCNS(=O)(=O)c1ccc(C)s1 1587674328 XXZZUMJBHFCJPP-HNNXBMFYSA-N 477.587 2.803 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCNC(=O)C2CCC2)c1 1587693634 UWCHKJKULCBURZ-JOCHJYFZSA-N 478.597 2.882 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1587879635 YWWZPRFOLXWMFJ-UHFFFAOYSA-N 491.684 2.751 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588053081 AWPPZXYXNMPTJU-JOCHJYFZSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1588064825 PXTHBUQZBKESEW-DEOSSOPVSA-N 492.649 2.785 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588068844 AMVOLBJODMLXDX-YPAWHYETSA-N 486.638 2.916 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCSCC1 1588646231 IAHAVHLYHJHODK-UHFFFAOYSA-N 492.690 2.527 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)N(C)CC)CC1 1588898947 IOPRRLZNSDCWFL-UHFFFAOYSA-N 482.654 2.720 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCCC2)C1 1589295023 BXYOIFQLUIZZAN-MRXNPFEDSA-N 460.380 2.899 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2cc(C)no2)CC1 1589304527 HPBZEUKBLRKGCH-INIZCTEOSA-N 469.384 2.529 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1595070594 FRSRQLQSEOKSCA-UHFFFAOYSA-N 482.629 2.826 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1595522354 CHVMVZHBQPNMQC-UHFFFAOYSA-N 461.614 2.934 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1595665170 QGGUTLSNDIEZEH-GMAHTHKFSA-N 469.586 2.674 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H]1CCOC1 1595766523 RHPZOLKYIFXMFQ-WBVHZDCISA-N 450.630 2.957 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1595878102 IMCYDJAXHQDDKG-FCHUYYIVSA-N 457.644 2.947 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1613558424 AZWOYWOSUJSKOU-DEOSSOPVSA-N 464.549 2.932 30 10 JFEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(C)C 1615635154 AAVNEDBCDJVPFR-QFIPXVFZSA-N 451.619 2.706 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)C1 1618576003 GMPDISKBASOOMY-DEOSSOPVSA-N 467.574 2.646 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1618582017 AGNLYAUXYDUGAQ-VWLOTQADSA-N 479.585 2.646 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCN(C(C)C)CC2)c1 1619130429 BOHLBWQIOQTINM-QHCPKHFHSA-N 472.565 2.640 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 1627568441 IVEVAPQBCXOWJH-SFHVURJKSA-N 452.983 2.630 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(C)cc2c1 1656935911 JJBMFUQSIPXSID-UHFFFAOYSA-N 459.568 2.860 30 10 JFEE C=CCN(C(=O)Nc1cc(OC)ccc1I)[C@@H]1CCS(=O)(=O)C1 1667912328 YFMWFTHTXVUIEH-LLVKDONJSA-N 450.298 2.507 30 10 JFEE N#Cc1cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)ccc1Oc1ccc(C(F)(F)F)cc1 1669509029 DYJMZWBNAMKHSC-HZPDHXFCSA-N 455.414 2.649 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C(=O)NCC)c1 1689872481 ZRSRXGDUDOZFRD-FQEVSTJZSA-N 466.586 2.738 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689993210 XXGIMVYSFRGYGE-LJQANCHMSA-N 470.620 2.922 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C(N)=O)nc1 1690036159 XXUAGCLEYFPKEM-UHFFFAOYSA-N 481.329 2.852 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CSc3ccccc32)CC1 1690110765 YZNAMGLPLDKZMC-GOSISDBHSA-N 452.628 2.841 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1690130857 OSNLJZPCVYAQDG-QHCPKHFHSA-N 464.658 2.949 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccccc2)CC1 1690139867 CKBBRFGTYHYEDM-VWLOTQADSA-N 478.984 2.867 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1690169676 KIIOUEJHEPEOCV-UHFFFAOYSA-N 452.559 2.815 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1690183463 ZQGWSPOUKRGIDP-UHFFFAOYSA-N 469.659 2.735 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690230447 DKFSJJUHPDUWAX-UHFFFAOYSA-N 476.404 2.964 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1SC 1690264901 GIUUUIPTLDIQOM-SFHVURJKSA-N 483.635 2.923 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1690601683 AABFWBPKXNZZEQ-CALCHBBNSA-N 454.579 2.813 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1 1690605286 DIFUFFUJLPUFRQ-UHFFFAOYSA-N 466.567 2.959 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2OC)CC1 1690673821 GDRPMKXFBJVGTM-UHFFFAOYSA-N 452.584 2.568 30 10 JFEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 1692484502 GXVHENFEPNKMEQ-UHFFFAOYSA-N 493.656 2.747 30 10 JFEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1695288373 CYFSQRJKZXUBSK-RBBKRZOGSA-N 470.643 2.952 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(Br)c2C1 1705524845 TWSASPXVYCYASK-AWEZNQCLSA-N 466.405 2.627 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705559275 WDLFKXRSBYCZDI-SFHVURJKSA-N 478.018 2.525 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705565124 SODBDNRAADOYJM-HNNXBMFYSA-N 489.951 2.719 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1705565340 GYERZWGQWBPKHC-GOSISDBHSA-N 469.611 2.736 30 10 JFEE 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C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1705628698 NDDGEDVKBNIBJD-DNVJHFABSA-N 486.638 2.743 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(NC(C)=O)nc2)CC1 1705636341 GLTWQDMFDIIIPQ-UHFFFAOYSA-N 467.936 2.895 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)CC1 1705638785 WVFDRHGACLQODD-NRFANRHFSA-N 493.612 2.574 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCN2CCC)CC1 1705646536 HGQPEZTUDRSBLW-QFIPXVFZSA-N 464.614 2.794 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705655055 BUSJEMAEOMEOCC-FQEVSTJZSA-N 451.017 2.980 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705663797 QLTXNTZOJAONDK-FGZHOGPDSA-N 456.612 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705694574 COBNOAVUGZSDDN-JLMWRMLUSA-N 490.626 2.957 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2CCOC[C@H]2C1 1705730886 PFZPTEDUPANNMC-QGZVFWFLSA-N 492.418 2.830 30 10 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451.619 2.850 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1[C@H]1C[C@H](c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 1722364523 LIJRKSKJSCPLLX-UDDWMFPDSA-N 490.601 2.887 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1722366292 QUUQICQZUMQOPF-OALUTQOASA-N 499.593 2.788 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1722415621 DAZLMHMAPCCWFE-IBGZPJMESA-N 454.575 2.865 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](O)(c1ccccc1)C(F)(F)F 1722417801 UEGMUWLZARSRAX-MDKPJZGXSA-N 452.477 2.912 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](OC)C(C)(C)C)CC1 1722429188 IIOVDEQPWJUUBJ-NRFANRHFSA-N 452.603 2.964 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2c(F)cc(F)c(F)c2F)n1 1722429843 TWUATKGBUYUIPQ-OAHLLOKOSA-N 492.477 2.869 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([S@](C)=O)CCC2)CC1 1722434044 KSSQLOYJWGMCSA-LJAQVGFWSA-N 476.444 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCN2CCC)CC1 1722444923 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C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740789399 DITSBRUZYIMSIV-LJQANCHMSA-N 455.559 2.614 30 10 JFEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1740908339 TYWGTTKJCSFGRG-KRWDZBQOSA-N 489.374 2.859 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccc(C)cc2)n1 1740941033 ACXAASWUORKWAW-LJQANCHMSA-N 471.583 2.831 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)OC(C)(C)C2)cc1 1740967505 IQGPLYWUDSFULI-IEBWSBKVSA-N 460.600 2.797 30 10 JFEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1741000402 QGBGDWFVAODRFU-GOSISDBHSA-N 461.599 2.945 30 10 JFEE C=CCSCCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1741001888 DNAUVKFUQXAZTP-IRFCIJBXSA-N 459.664 2.954 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748686786 WULIYBAOAHMVCK-KRWDZBQOSA-N 471.558 2.617 30 10 JFEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1748722341 WMQFWWFSECYGGI-UHFFFAOYSA-N 466.605 2.946 30 10 JFEE 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JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1508155272 KJHZHPNGTUAWAG-UHFFFAOYSA-N 453.572 2.605 30 10 JFEE CC(C)(C)OCc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)no1 1508683692 AYVNMSMAPIZDJS-DEOSSOPVSA-N 463.542 2.870 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1515025296 DFLLNMFKQDFEOL-NVXHTHCOSA-N 498.653 2.773 30 10 JFEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1517240795 HBIKRKKORMEPRU-HXUWFJFHSA-N 452.559 2.604 30 10 JFEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CCc2ccn(C)n2)cc(OC)c1OC 1517961928 FTRIUAKCDAPLLE-UHFFFAOYSA-N 451.531 2.687 30 10 JFEE C#C[C@H]1COCCN1C(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1525109718 QJAKRLDPGSSBJX-FQEVSTJZSA-N 456.564 2.758 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(N2CCOCC2)CC1 1539029000 GEKJTYWWVXMQNU-KRWDZBQOSA-N 474.403 2.942 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCCC2(C)C)c1 1539040042 KJCJBPZWWPOFRD-RUZDIDTESA-N 461.570 2.676 30 10 JFEE 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496.381 2.884 30 10 JFEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705727751 YGQKWKKEDZSKDD-UHFFFAOYSA-N 468.602 2.576 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC(OCC)C2)CC1 1705782830 JMULPKZNPBMDRK-ABGUIGEDSA-N 491.633 2.919 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1705859191 KSYZJGPXIPHVIZ-SJLPKXTDSA-N 467.686 2.930 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Nc2cccnn2)CC1 1705897640 QPJJGTLQANTXEW-QGZVFWFLSA-N 480.548 2.730 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1705905924 LSDZDXROLQFVCE-QGZVFWFLSA-N 452.584 2.939 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnn(C)c1C 1705934714 VDJUUHNEVGSOPD-UHFFFAOYSA-N 481.582 2.879 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705943742 JLNFIXJKOWYQBR-KRWDZBQOSA-N 497.625 2.826 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1 1706655623 DOMVOJBRRQBDJO-UHFFFAOYSA-N 458.613 2.885 30 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C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H](C)N1C(=O)OC(C)(C)C 2255839821 ZHVFDBURYHIENK-ZIAGYGMSSA-N 451.398 2.912 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1 2256626477 KLCMNHLNZFGPDO-UHFFFAOYSA-N 454.373 2.965 30 10 JFEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2267162180 MQSMTKKPZZYGTC-CYBMUJFWSA-N 467.397 2.544 30 10 JFEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C2COC2)C1 2267286160 MZZUDRYUINEUBK-UHFFFAOYSA-N 464.393 2.508 30 10 JFEE C=C(CS(=O)(=O)N1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267419775 SUDMBTGZXPGRPB-SJORKVTESA-N 474.429 2.508 30 10 JFEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267507467 OOFZEEMYIMAFHU-QFIPXVFZSA-N 468.787 2.645 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C2CN(C(=O)OC(C)(C)C)C2)CC1 2267528790 GWDNMKXISCHPRL-UHFFFAOYSA-N 463.409 2.880 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267551037 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Cc1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2282318182 CYWFXTGOLQXEOI-VQIMIIECSA-N 480.436 2.828 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]1C(F)(F)F 2282606145 ODCFSAGLXVSZRP-DGCLKSJQSA-N 491.341 2.970 30 10 JFEE Cc1cccc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282648457 OGAGSYWHUAUDJD-CABCVRRESA-N 454.298 2.966 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1 2282699820 MFJTWLAPSRSLAX-QFBILLFUSA-N 460.380 2.740 30 10 JFEE CC1(C)OB(c2ccccc2CS(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2282833959 NGHAEYPBBSXBNN-NRFANRHFSA-N 470.444 2.927 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2283962107 GWNKQNBFQUKBCD-WMLDXEAASA-N 464.343 2.945 30 10 JFEE COc1ccc(NC(=O)[C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283980248 XQELAVAWCJURNI-QZTJIDSGSA-N 462.352 2.615 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)[C@@H]2CCCO[C@H]2C1(C)C 2283987981 PDZLNFYKYGVSRX-OJLQRUNKSA-N 462.396 2.836 30 10 JFEE CC(C)(C)OC(=O)NCc1cncc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)c1 2284035647 PJDVEDBDNXXMFJ-UHFFFAOYSA-N 474.392 2.792 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284039618 OAIVUOOASOYYQP-IQGLISFBSA-N 456.392 2.902 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2285209888 BDKDTHNVKUEVGX-UPCLLVRISA-N 457.380 2.819 30 10 JFEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(O)c3)ccc2O1 2297742440 KQDQDXRVGYGMCI-MZNJEOGPSA-N 478.545 2.860 30 10 JFEE C=C(CS(=O)(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2312859827 PWRZLYBYPXVGAK-BBWFWOEESA-N 456.414 2.881 30 10 JFEE CCCNC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1O 2328475862 OYRDZBQSUJTTKO-UHFFFAOYSA-N 454.512 2.983 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2337337584 RGMCANJSGVYCJO-OAHLLOKOSA-N 463.409 2.962 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337401312 HOKMGEIIIWLBEJ-FZAOIFNZSA-N 485.437 2.595 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337405840 YNQDKNDNNPFGBM-CQSZACIVSA-N 463.409 2.962 30 10 JFEE C[C@H](CN(C)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O)NC(=O)OC(C)(C)C 2339419860 IEDDLFWTPFWXDO-CYBMUJFWSA-N 452.332 2.816 30 10 JFEE COC[C@H](CCNC(=O)OC(C)(C)C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2339825558 RKMWYMKHZTZRLE-HNNXBMFYSA-N 452.357 2.698 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2362352031 BALPNKUAWPSYDP-HOTGVXAUSA-N 462.400 2.533 30 10 JFEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2380497019 PMIOHEWNHSHOCS-UHFFFAOYSA-N 460.315 2.547 30 10 JFEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2C#N)C1 14017471 NBGTUGRFVOMUFT-INIZCTEOSA-N 472.592 2.564 30 10 JFEE Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 15812270 JEHHLUBDFLXQCP-UHFFFAOYSA-N 489.498 2.598 30 10 JFEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1 18760962 AJGCFMQOLDYYTA-IVCQMTBJSA-N 465.481 2.711 30 10 JFEE C/C(=N\Nc1nnc(SCC(=O)Nc2c(F)cccc2F)n1N)c1ccc2c(c1)OCO2 21318392 RFDHAHZXQILNNS-YSURURNPSA-N 461.454 2.566 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@H](C(=O)OC)c4ccc(Cl)cc4)CC3)cc2C1=O 31778552 HBLZZLRDHVHGIG-NRFANRHFSA-N 481.936 2.794 30 10 JFEE COC(=O)CSc1n[nH]c(N/N=C/c2cc(Br)c(O)c(Br)c2)n1 59018705 HWSYAWVIHFXRQQ-SYZQJQIISA-N 465.127 2.746 30 10 JFEE C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)C(C)C 96280133 OTOVWQJQBYXGGM-UHFFFAOYSA-N 481.597 2.870 30 10 JFEE CC(C)c1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)s1 586345768 GHERHPBLLHZCLE-LJAQVGFWSA-N 451.599 2.799 30 10 JFEE N#CC(C(=O)Nc1ccc(F)cc1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 609038165 HNYZMQFXPYCOCP-UHFFFAOYSA-N 470.529 2.828 30 10 JFEE C[C@H](OC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 728367304 DVGLZLAZNXNFTE-NEPJUHHUSA-N 451.508 2.673 30 10 JFEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1ccc(Cl)cc1Cl 729672455 OXDLYNYPBYEFSB-CYBMUJFWSA-N 498.395 2.723 30 10 JFEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 748806561 OPXQWXAAIOJPTN-UHFFFAOYSA-N 452.510 2.876 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(F)cc1NS(C)(=O)=O 919344166 HIUHBVVAEUMMAU-AWEZNQCLSA-N 463.487 2.698 30 10 JFEE COc1cccc(C=NNc2nc(SCC(=O)Nc3cccc(N4CCCC4=O)c3)n[nH]2)c1O 1084041562 WIJWITUXXHYHAP-UHFFFAOYSA-N 481.538 2.823 30 10 JFEE COc1cc(NC(=O)CSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)cc(OC)c1 1084299585 VSWJDOYCNYYZCK-UHFFFAOYSA-N 487.590 2.580 30 10 JFEE C=CC1CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)CC1 1214485509 SOQPLDVVUCYQEN-UHFFFAOYSA-N 450.605 2.984 30 10 JFEE C#C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1F 1275498527 PIQIFADPHSTNEO-IBGZPJMESA-N 451.907 2.549 30 10 JFEE 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O=C(O)CN1C(=O)C(=O)C(=C(O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1 2296940640 QQVHECAMECXVMV-MRXNPFEDSA-N 461.224 2.864 30 10 JFEE COc1ccc(OC)c([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c1 2297740145 MHTXJMHJDXDHGC-HXUWFJFHSA-N 458.536 2.519 30 10 JFEE C=CC1(N[C@@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)CN(C(=O)OC(C)(C)C)C1 2325177475 AUGNHFMJOXRLIU-HJPURHCSSA-N 451.564 2.994 30 10 JFEE COc1ccccc1C=CC(=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 2325549734 SUWLFEYVSLLPHG-UHFFFAOYSA-N 452.492 2.815 30 10 JFEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2OC)cc1 2326251890 PPOVXSOJRFGBNJ-UHFFFAOYSA-N 485.566 2.775 30 10 JFEE C=CCC1(N[C@]2(C(=O)O)CN(C(=O)OC(C)(C)C)CC23CC3)CN(C(=O)OC(C)(C)C)C1 2326601801 GXEXKKIKJPNETI-QHCPKHFHSA-N 451.564 2.996 30 10 JFEE COC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccc1C(=O)O 2327470740 CMTDYQUXBAMSEI-UHFFFAOYSA-N 462.434 2.981 30 10 JFEE O=C(CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1)Nc1nccs1 2330949045 CXQDISPNFWHMAX-AWEZNQCLSA-N 475.512 2.813 30 10 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2.999 30 10 JFEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 918401721 CMHKSVRHUHRWNP-XTCLZLMSSA-N 484.578 2.550 30 10 JFEE O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)NN=Cc2ccc(Br)cc2)c1 1084289357 PGCHFVPQMBGENK-UHFFFAOYSA-N 469.317 2.506 30 10 JFEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3O)n2)s1 1084446341 OCPCVFBAYCCPSX-UHFFFAOYSA-N 466.574 2.659 30 10 JFEE C=CCNC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1137840989 MXQWCOVFCVUKLT-UHFFFAOYSA-N 456.351 2.755 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 1137946748 HPVHLMXQRUVADV-LJQANCHMSA-N 451.589 2.544 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286314171 LJVNANUNZKKOHL-UHFFFAOYSA-N 462.558 2.656 30 10 JFEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1286323056 GEWOQCWQARVYTI-WMZOPIPTSA-N 469.977 2.936 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1286391929 JXCMVZLRRDDADL-NRFANRHFSA-N 499.662 2.820 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1286398360 XOHZYFCVYBUTSC-DBXWQHBBSA-N 458.584 2.854 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCO[C@H]1C(C)C 1286408382 FVBVOPHZXZAZDC-FPOVZHCZSA-N 468.627 2.762 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N(C)C)CCC1 1286433013 HAUOOBCPQJNOJQ-BGYRXZFFSA-N 454.619 2.996 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1286451099 HZTGHTMIESREFP-XJKSGUPXSA-N 461.485 2.969 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1cccnc1-n1cccn1 1286466287 FORHXOMNWMYICL-UHFFFAOYSA-N 463.492 2.862 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCc2nc(C)cs2)CC1 1286472970 MRGKDSXPYNJBGT-XMMPIXPASA-N 472.659 2.862 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCN2CCSCC2)CC1 1286474166 CVRMGZROXYDLIC-UHFFFAOYSA-N 493.450 2.651 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(CC)noc2C)CC1 1286491339 NRRDPAHULDLNLY-UHFFFAOYSA-N 464.545 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](OC)C(C)(C)C)CC1 1286494863 UUFXKBMIEJYNMC-IBGZPJMESA-N 458.632 2.661 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1286520600 RDQIRSASYKOLLQ-UZUQRXQVSA-N 458.584 2.779 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286604242 QIPZCSZXVJLATM-HXUWFJFHSA-N 493.616 2.645 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1286672657 OVSYBHVTKGZWGW-HZPDHXFCSA-N 461.579 2.695 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286689216 YVUHNWLPIREOSN-IBGZPJMESA-N 451.637 2.620 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1286795103 FGQPBGAZFKTBTJ-NQIIRXRSSA-N 489.642 2.754 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(C)on1 1286814953 IXJZDCXPHHZDIL-UHFFFAOYSA-N 469.365 2.569 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1295318391 HTDHHHLCYKLMID-QFIPXVFZSA-N 474.569 2.833 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccc(OC)n2)CC1 1300344945 MEOKEJKPNRBVIF-UHFFFAOYSA-N 485.390 2.964 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1ccccc1 1300365394 VTYJSNLRCJWSTE-FPOVZHCZSA-N 459.616 2.654 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300482493 FWLUZADTQNDOOT-JBACZVJFSA-N 473.643 2.612 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1300499876 ZCYQGOZRXNFGHG-FQEVSTJZSA-N 462.591 2.697 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCN(C2CC2)C1 1300559664 WQYPKXQQRNRVMX-KRWDZBQOSA-N 455.404 2.993 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O 1300664300 BARGWHHKMPAGSD-HXUWFJFHSA-N 498.628 2.534 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2(N(C)C)CCOCC2)CC1 1300692774 MLEUCNRXCVPZEY-UHFFFAOYSA-N 487.446 2.574 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC[C@@H]2CCCCO2)CC1 1300729374 XQRIHBIIZMVZAD-NRFANRHFSA-N 470.643 2.949 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1301151421 MYTIVBIFENZXKP-MSOLQXFVSA-N 471.693 2.935 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C#N)CC1 1301259151 GXKRFLISNZRJFI-UHFFFAOYSA-N 460.586 2.931 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1301337299 BSRGFFRNUMCRJC-FQEVSTJZSA-N 470.599 2.587 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1301578130 YMRCZGAGUQZRFO-INIZCTEOSA-N 464.588 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1301584556 BVAZKTMXGRLHHA-HOTGVXAUSA-N 456.572 2.677 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1Cc2ccoc2CC(C)(C)C1 1301593576 PVWOOFNNKSNANM-UHFFFAOYSA-N 472.615 2.922 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCC(F)(F)C1 1303862105 IDCGHYMXBILGJS-DLBZAZTESA-N 493.584 2.522 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)c1 1304268034 FQXNEOROLPAFPW-DEOSSOPVSA-N 480.548 2.884 30 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487.406 2.992 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)CCS(C)(=O)=O 1359128550 XKSAFZRVBYMCAJ-UHFFFAOYSA-N 463.423 2.843 30 10 JFEE C=CCn1c(N(CCO)Cc2ccc(Br)s2)nnc1[C@@]1(OCC)CCOC1 1359290029 CWFHTCPJYCKVSN-GOSISDBHSA-N 457.394 2.939 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCC(=O)N(C)C)C1 1359319421 YTGBHYWLXYVKPI-LJQANCHMSA-N 493.612 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359329321 FSXOFAPVACDXCS-YOEHRIQHSA-N 469.489 2.574 30 10 JFEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 1360305049 ICFIPRHGOBCNFK-UHFFFAOYSA-N 451.619 2.894 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1360602280 AAFBAGGOTJQOIZ-QFBILLFUSA-N 464.492 2.553 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 1443534363 OSXAQLQZDUOEHT-SFHVURJKSA-N 453.442 2.957 30 10 JFEE C=CCOc1ccc(-c2nnc(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)o2)cc1 1459004443 ZQLZBIMJSZLKEO-UHFFFAOYSA-N 458.462 2.873 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KDTQATQHBVUKJN-UHFFFAOYSA-N 461.570 2.968 30 10 JFEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690228787 FZCLBANBCROBBB-UHFFFAOYSA-N 455.445 2.766 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690234486 GAIMIZYXYYZURM-CQSZACIVSA-N 452.313 2.984 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)COC)CC1 1690248593 OMDZFWLRCQMARZ-MZNJEOGPSA-N 489.567 2.860 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690332673 IUFWLGIPRLVFGW-FUHWJXTLSA-N 465.023 2.621 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](F)COC)CC1 1690411644 RDNOTSJVNCYZBX-QZTJIDSGSA-N 453.559 2.973 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690417404 QBCMCJRJRCNYKW-UHFFFAOYSA-N 457.623 2.843 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690482034 XGIOKLRFRGKLMN-UHFFFAOYSA-N 463.586 2.853 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C)cc2)CC1 1690661799 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KRLNAEZPMUCJFQ-DEOSSOPVSA-N 486.642 2.514 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1cccn(CC)c1=O 1705863867 IYLHTNXGULKVPO-UHFFFAOYSA-N 452.584 2.998 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705932959 PIPHUDUBJTXYMH-RTWAWAEBSA-N 490.626 2.957 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(C)C)C[C@H]2C)CC1 1706000962 OSUMHPIBLGBFCT-YKSBVNFPSA-N 479.629 2.621 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCC1(C)C 1706888302 ARYHSZRURAFSDA-UGKGYDQZSA-N 499.685 2.908 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1722289320 CKUUXZLWESVFJE-ZDQHKECQSA-N 489.617 2.773 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCCS2(=O)=O)c1 1722305634 SXOYHIKIBNUJCA-FQEVSTJZSA-N 481.578 2.870 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1722316243 FCDUJZGPKDIRFK-KRWDZBQOSA-N 477.553 2.583 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1722365375 MHQKAZAXLTYOTE-QFIPXVFZSA-N 477.590 2.504 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722367588 WQLXIVHVWLNPCQ-RJOZEALSSA-N 490.601 2.999 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722374479 WCFQCGFRPKQCDQ-IBGZPJMESA-N 492.555 2.885 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)SC)CC1 1722451070 XOUVZQUJIYTHEV-UHFFFAOYSA-N 471.627 2.973 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722458004 VJYVNCIGSGOCTA-QFIPXVFZSA-N 457.003 2.882 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1 1722468894 XGBHYKVVAJOSDF-XMMPIXPASA-N 480.594 2.639 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722545466 FYCADLQSQBCLGM-KRWDZBQOSA-N 490.033 2.750 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722547311 DYXGLLYYAGJFTK-MRXNPFEDSA-N 484.022 2.871 30 10 JFEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722579541 HVXWZMNIFCJWCR-MSOLQXFVSA-N 471.993 2.637 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1)C1CC1 1722645388 KXYVMVZNCMWZDM-UHFFFAOYSA-N 452.584 2.988 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722660771 GEKMIOJBKMRMHQ-QHCPKHFHSA-N 462.591 2.892 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1722700878 XXKYGBLKBQTKHF-UHFFFAOYSA-N 489.646 2.820 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@@H](SC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722732427 ZAZBRRXOTRDOSZ-NQIIRXRSSA-N 472.677 2.641 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1722733184 TZKAJFHBUBLSPJ-UHFFFAOYSA-N 476.585 2.900 30 10 JFEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)C[C@@H](C)O1 1726633521 AUIYEFJYOFBJMQ-KDURUIRLSA-N 479.629 2.796 30 10 JFEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1728442401 DTQJVVARMBBVBP-UHFFFAOYSA-N 456.597 2.940 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CSCCS2)cc1 1731181608 DBGCUWGKXAPPJO-LJQANCHMSA-N 472.640 2.669 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC1CCCCC1 1740551937 WSIGKDOWUXZJHU-AZUAARDMSA-N 488.633 2.883 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740564061 ZVEZXUYCNOIYDS-MCNSAMFCSA-N 498.603 2.990 30 10 JFEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740583744 YHWYTXYWJNXEJK-HNNXBMFYSA-N 454.394 2.853 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616883 IIRBZZISVZKPMD-TZIWHRDSSA-N 489.617 2.670 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(OC)cc2F)CC1 1740693395 XMVOHWWTYHMIHQ-UHFFFAOYSA-N 487.377 2.997 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CC(F)(F)C2)CC1 1740697427 DKLOWMIIDMGDPQ-UHFFFAOYSA-N 461.513 2.771 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740713596 NMDCMUDBXDTPQV-IBGZPJMESA-N 484.626 2.665 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740788156 PLPMMHUUQUIBLH-FQEVSTJZSA-N 475.615 2.551 30 10 JFEE C=CCCOCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740888725 SDRNZQQRWDUFLP-BGYRXZFFSA-N 498.632 2.758 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1740932538 QGLVUTDULNSBLD-FQEVSTJZSA-N 482.585 2.912 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCc1cnccn1 1740986826 ILBSHORFLOYNLU-UHFFFAOYSA-N 477.594 2.871 30 10 JFEE CN(C)C(=O)c1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)c1 1747524497 FKDAJFYLOIJDSQ-AREMUKBSSA-N 486.580 3.000 30 10 JFEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748699461 PDWLKDPELNFHCY-QGZVFWFLSA-N 468.533 2.881 30 10 JFEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1748706593 NINNWSGPKRWHSO-UHFFFAOYSA-N 475.615 2.626 30 10 JFEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1748815804 UFQZPXXKPGWLAP-FCHUYYIVSA-N 455.628 2.865 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748819128 LFFYOKRJNRBLEQ-FQEVSTJZSA-N 471.533 2.877 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1748819130 LGVFHABPGCOMJK-JOCHJYFZSA-N 497.596 2.867 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748821668 SCGWFSKUYURNLB-GMAHTHKFSA-N 499.681 2.913 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccccc1 1748921192 XYSBIQQEUQLVAU-QHCPKHFHSA-N 452.584 2.605 30 10 JFEE COc1ccccc1C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCC1 1748973182 BFSNDMMBKACTED-IAGOWNOFSA-N 460.604 2.615 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1749024539 UMIKIOPUAQDSSO-FQEVSTJZSA-N 474.652 2.968 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC(N2CCNC2=O)CC1 1749107137 QPBFWGUIVIVKJB-UHFFFAOYSA-N 451.394 2.833 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749109800 ZLZTYVNNOPNKHL-HNNXBMFYSA-N 495.447 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C#CCN(c1nnc(CSc2ccccc2OC)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588073990 GQIABJVNLVPWIU-RTBURBONSA-N 490.651 2.632 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1588473061 KRSXLBUMPVMHBL-CDSYHYPYSA-N 489.617 2.608 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCCCC1 1588646354 JDHIMAWRHULOAA-UHFFFAOYSA-N 480.661 2.803 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C2CCC2)CC1 1588779801 DEUCFNCDYZKPBS-UHFFFAOYSA-N 471.005 2.669 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1588864364 CZBVKBXZMWGMNL-UHFFFAOYSA-N 492.594 2.559 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589570857 WOBAZEUCFKKFDL-UZKOGDIHSA-N 460.600 2.770 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@@]1(OCC)CCOC1 1589582012 YHQKYDCQAGEKSK-MTXNFPGFSA-N 477.606 2.626 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1593752321 HCVLKECKAUFPAM-GBXCKJPGSA-N 484.620 2.590 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1593806994 HKJVFCXDSRGLGO-FQEVSTJZSA-N 484.409 2.629 30 10 JFEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)NC)CC1 1594788245 IOFJHTIBBTVDTJ-UHFFFAOYSA-N 450.490 2.601 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1595562206 QARFGVXDMBYCIN-UHFFFAOYSA-N 470.643 2.708 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2OCCC2(C)C)C1 1595689288 UTKZQRSTULKQNV-PZJWPPBQSA-N 489.642 2.792 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1595758869 CNKCXCMUMVEEFE-MSOLQXFVSA-N 458.588 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H]1CCOC1 1595766520 RHPZOLKYIFXMFQ-DOTOQJQBSA-N 450.630 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1595772883 IIUPTXXAGDOYMD-KRWDZBQOSA-N 489.985 2.871 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595851290 ZQGBLJYGJNMPLI-VQTJNVASSA-N 478.640 2.652 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1611624816 AAYZPHFJGVKUEI-DLBZAZTESA-N 490.630 2.847 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1613554946 AOJVCMHMIVBUGA-SFHVURJKSA-N 485.555 2.590 30 10 JFEE C=CC[C@]1(C(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1627828020 KKGFMEYJQOEONL-UKPGIYTDSA-N 456.605 2.635 30 10 JFEE N#Cc1cnn(-c2ccc(C(=O)N3CCNC(=O)[C@H]3c3ccc(C(F)(F)F)cc3)cc2)c1N 1632158497 GGWFTVQKYFRIRD-GOSISDBHSA-N 454.412 2.658 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1 1658658830 BTRLBZXWLKBJIH-IAGOWNOFSA-N 459.490 2.940 30 10 JFEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1666329875 UJTCFOPSCBGPGR-UHFFFAOYSA-N 459.376 2.670 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1686408455 YJJUJLYNUZQRRN-OAQYLSRUSA-N 457.527 2.678 30 10 JFEE C#CCC[C@@H](O)CNC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1686760562 VEHBAGIVTHOBBA-OAQYLSRUSA-N 458.603 2.619 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)c3cc(C)oc3C)CC2)nnc1[C@]1(OCC)CCOC1 1689906574 OGCTYCIWJRCFCV-VWLOTQADSA-N 469.586 2.906 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1(N2CCOCC2)CC1 1690006245 LMPJBBOEPPJQRM-UHFFFAOYSA-N 454.372 2.645 30 10 JFEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690078716 DZJHXXUVTDDXJH-UTKZUKDTSA-N 477.581 2.811 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690115981 YFIMSMVAMIGGDA-LJQANCHMSA-N 485.430 2.721 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC1 1690134860 IPZHJPXDBGKWLB-IBGZPJMESA-N 462.019 2.785 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1690236831 RPJHBOALAIYRPB-RXVVDRJESA-N 455.559 2.805 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 1690239141 RYEUCSHZHRWNOG-RHSMWYFYSA-N 479.379 2.905 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690240108 BSLWNCPZZQQLRL-NRJQMVOHSA-N 455.559 2.610 30 10 JFEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690295922 YKEINLQJSNZLCD-UHFFFAOYSA-N 452.603 2.740 30 10 JFEE C=C(C)Cn1c(N(C)Cc2nc(CCOC)no2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690296905 VMMXJTDZJADLDL-IYBDPMFKSA-N 461.567 2.833 30 10 JFEE C=CCCOCCn1c(N2CCN(CC(=O)N3CCc4ccccc43)CC2)nnc1C(C)(C)C 1690512435 XLXQRKOZAMZVCK-UHFFFAOYSA-N 466.630 2.880 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1)C1CC1 1690545798 YWXXBJJFBTXRMS-FQEVSTJZSA-N 490.649 2.852 30 10 JFEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690631013 GQSWFUDDKXJCBZ-OAQYLSRUSA-N 476.572 2.964 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1690631137 PJPWQZDFIICWHW-UHFFFAOYSA-N 484.402 2.660 30 10 JFEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690636011 AJGZHBUVQPYPJG-UHFFFAOYSA-N 482.629 2.537 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1690675345 XTTIWMMDJOYGOI-FQEVSTJZSA-N 479.560 2.680 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)noc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677047 LJFRSHYSKTYEKP-CALCHBBNSA-N 473.578 2.592 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690719351 LBPLNCWLNJZILE-TZMCWYRMSA-N 479.912 2.750 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1692343481 HTPSJTPRMFXLGT-UHFFFAOYSA-N 482.614 2.701 30 10 JFEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1692480426 DFWFHAMLLYBMPQ-NRFANRHFSA-N 451.575 2.966 30 10 JFEE CCN1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695851537 AJDBWOCLDHPHSW-PMACEKPBSA-N 451.623 2.728 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCn2cc(C)nc21 1705481485 HHNKBJJHZQRRNJ-HKUYNNGSSA-N 452.584 2.889 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1cccs1)N1CCOCC1 1705504146 OICVDMYJAUNHKO-IWFBPKFRSA-N 459.616 2.595 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705537571 KDTPPYUAULDGNJ-UHFFFAOYSA-N 457.538 2.872 30 10 JFEE C#CCN(c1nnc(COCC)n1CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1705571578 BINYKYZVWJRFRN-KRWDZBQOSA-N 486.516 2.583 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1705579156 HAUSEISTBWWRDG-UHFFFAOYSA-N 474.565 2.803 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1705590136 CKXMDYQZJDSONC-AREMUKBSSA-N 463.582 2.580 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccccc1F 1705628836 QNTFSPDYTLHEIP-UHFFFAOYSA-N 463.561 2.920 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)C2CC2)CC1 1705645700 ASELJHZTKHZCMZ-XMMPIXPASA-N 471.989 2.734 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1705652470 AMZBKAODIYAUEO-SFHVURJKSA-N 456.591 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(F)F)c2)CC1 1705652844 PJWYLZDVXNOQQO-SFTDATJTSA-N 487.551 2.954 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705699884 MULPBMVXDVWNIX-FYQPLNBISA-N 452.621 2.904 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705755281 PXKULDXHJHEBMR-ROUUACIJSA-N 477.997 2.516 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1705763750 CYLFXVHVURCPJZ-HSZRJFAPSA-N 460.600 2.949 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1705860563 SSSRUEJWXMRNQR-OAQYLSRUSA-N 475.597 2.942 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705865294 IDQJRSSHKJFCOL-QFIPXVFZSA-N 469.592 2.620 30 10 JFEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 1707542535 CTUJNAYJXVUEAV-XUZZJYLKSA-N 456.566 2.964 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1708738807 HNSKBVOPZYLQBD-QHCPKHFHSA-N 459.639 2.562 30 10 JFEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCCC1 1708874687 CJLABOSOAQEHKA-UHFFFAOYSA-N 467.622 2.627 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 1722310409 VMODBXNGLZXQLT-WMZHIEFXSA-N 461.570 2.796 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCS(=O)(=O)N(C)C 1722344314 IHNMLBMWSROODL-MRXNPFEDSA-N 453.996 2.649 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C(=O)NCC)CCC1 1722355440 IXCJKFHHVCGHQM-UHFFFAOYSA-N 460.376 2.995 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1722363051 YQOSVRFHHMPLEW-JOCHJYFZSA-N 480.638 2.805 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1722373802 MMUNQYMUPHIEAL-NEKDWFFYSA-N 491.636 2.661 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCCC1 1722413950 SZIUOPWELCPDSN-WOJBJXKFSA-N 460.623 2.778 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(C(C)(C)C)s1 1722422338 XROZVKWBGIPIGF-UHFFFAOYSA-N 488.639 2.632 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722433569 AGUNREWNCHTFSQ-NRFANRHFSA-N 465.583 2.973 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1722450947 UGPSEIDDRKPTGB-PXDATVDWSA-N 495.624 2.893 30 10 JFEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722482840 DCKKGDWFWDFDKA-UHFFFAOYSA-N 475.376 2.955 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722495626 XXLYKXCMAZYCIG-SIKLNZKXSA-N 498.603 2.889 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722496680 YYRMKZINMRYGLD-VLCRHTCISA-N 473.643 2.959 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1722529215 WRJXDRXJIQDTCK-UHFFFAOYSA-N 450.587 2.958 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N2CCCCC2)CC1 1722561509 SKBYACMDQPNXOH-UHFFFAOYSA-N 457.600 2.908 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C 1722674513 DGKQQBLVFKHQGB-FQEVSTJZSA-N 450.587 2.550 30 10 JFEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722683680 TYCVBVGITFAWBX-UHFFFAOYSA-N 453.547 2.610 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2CCCC[C@@H]2C1 1722693777 ZWGKVYVYUPVSTN-MRXNPFEDSA-N 477.382 2.823 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCS(=O)(=O)NC)C1 1722715037 MMSZRZFCUFOMNS-KRWDZBQOSA-N 465.645 2.606 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1722738099 BCVFNZUJVBAEAM-LEWJYISDSA-N 491.683 2.742 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1722739494 WGBUTWGSLSDVRZ-VQTJNVASSA-N 477.656 2.524 30 10 JFEE Cc1ncsc1CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1724103010 HIEFYOSJCXKMJC-INIZCTEOSA-N 451.604 2.861 30 10 JFEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1726945889 BMFJJYMZACHKHK-AZUAARDMSA-N 486.642 2.993 30 10 JFEE CCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1727347124 GDUCGYBHPMLWJG-HSZRJFAPSA-N 490.605 2.844 30 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461.570 2.614 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661099 IJFQFHITXBAXAI-UHFFFAOYSA-N 470.961 2.646 30 10 JFEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1873675886 UOUQNLKQTHXXMH-AWEZNQCLSA-N 472.526 2.837 30 10 JFEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3cccc(OC)c3)CC2=O)cc1 1874200624 GJMKMBWVRUKFPA-ZZQPOVDQSA-N 467.551 2.782 30 10 JFEE Cc1cccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)c1C 1874323962 QEQJPUQYOKAXQN-BHGWPJFGSA-N 453.524 2.705 30 10 JFEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1890524358 DIMXWBJJUQDZIM-UHFFFAOYSA-N 455.624 2.650 30 10 JFEE COCC[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 1963484385 MUPLUICUSDBRHD-OFVILXPXSA-N 456.587 2.887 30 10 JFEE Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1C(=O)CSC1=CC(=O)C(C)(C)C 2040698689 LZAZYTZNHWAZAC-CQSZACIVSA-N 467.613 2.604 30 10 JFEE CC(C)SC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532459 KKUVWQWSZYLXFM-OAHLLOKOSA-N 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C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1CC1(O)CCS(=O)(=O)CC1 1595075252 BPIFXRKLOOVGDN-SFHVURJKSA-N 462.616 2.933 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1595239197 GNZWYVONSFPQFE-QFIPXVFZSA-N 485.610 2.796 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1595760870 ULKXMFRBBDPUGI-KURKYZTESA-N 467.636 2.696 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595871495 SOYBSRPEOAREON-IKGGRYGDSA-N 464.636 2.888 30 10 JFEE COc1cc(OC)cc(N2C[C@@H](C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)CC2=O)c1 1611535061 HHIGUPZZKFKSEN-INIZCTEOSA-N 451.479 2.775 30 10 JFEE Cc1cccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1611968508 GWEJXVRYPXTYTR-HXUWFJFHSA-N 488.596 2.786 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCC(=O)N3CCCCCC3)CC2)c1C#N 1612472082 GTMDEMDHDRBAPQ-UHFFFAOYSA-N 481.649 2.510 30 10 JFEE C=C(C)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccc(F)c(F)c1 1616855062 XCLHWTFHUPBAPG-HXUWFJFHSA-N 452.479 2.853 30 10 JFEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1619122957 BIJKZPUOYNZTNQ-BEFAXECRSA-N 482.507 2.821 30 10 JFEE C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)cc1 1622929102 XDVFUBAJLRVYCW-UTKZUKDTSA-N 452.559 2.846 30 10 JFEE N#Cc1ccc(N2CC[C@H](C(=O)NCc3cccc(OCCN4CCOCC4)c3)C2)c(F)c1 1625742411 IAVMLOUGWJNZLF-NRFANRHFSA-N 452.530 2.551 30 10 JFEE C#C[C@@H](NC(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1)c1ccc(Br)cc1 1634191976 XDUHQVNUNYVYSN-GOSISDBHSA-N 457.328 2.883 30 10 JFEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC[C@H](S(C)(=O)=O)CC2)cc1 1645409491 DKLNRCARPMEBTB-FQEVSTJZSA-N 458.584 2.812 30 10 JFEE COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 1660676223 DKSWWZCZRFNIPN-MRXNPFEDSA-N 454.957 2.598 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2N(C)CCCC2(C)C)c1 1689873410 HSVSWACJBURVCH-JOCHJYFZSA-N 491.640 2.577 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1689913566 QMAIDBAHIOPUCO-KRWDZBQOSA-N 477.606 2.991 30 10 JFEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1689928775 WSTMYBXUFRINIH-MSOLQXFVSA-N 458.360 2.983 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689980810 XVCLXLGLIXZKEB-PKTZIBPZSA-N 492.649 2.956 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689986678 VDLQZLRNLMNQCZ-VQTJNVASSA-N 465.579 2.743 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccc(C(N)=O)c1 1690018042 RTSISOYJQZZQGO-UHFFFAOYSA-N 476.581 2.613 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC(C)CC2)CC1 1690140355 WKJMVZLRZXXMRJ-UHFFFAOYSA-N 459.598 2.514 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2cc(C)ccc2OC)CC1 1690142118 IRBYROYPTGIMFS-UHFFFAOYSA-N 458.566 2.866 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690177554 ZCJOKBZSYMUXBF-SFHVURJKSA-N 487.073 2.678 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC(C)CC1 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GFRVKIUFAIPVLQ-MRXNPFEDSA-N 451.600 2.903 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722694800 JENGILXRTRVZSU-UHFFFAOYSA-N 496.612 2.636 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](CC)O[C@H](C)C1 1722697828 QSQDJFSMBRAZLV-MSOLQXFVSA-N 479.585 2.542 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722699049 BAQXNFORDLGKNI-KRWDZBQOSA-N 488.583 2.826 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722706853 ZXZUMCYWWOURAK-SFHVURJKSA-N 451.531 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1722726601 DHNPYYBGQRSKRI-RBBKRZOGSA-N 495.653 2.825 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1722750109 KJDXKWXBGGMKQE-HZPDHXFCSA-N 496.655 2.902 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CCO1 1723700532 GCYDRXWIHXKJQY-HYBUGGRVSA-N 451.527 2.948 30 10 JFEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)[C@@H]1C 1726769298 ASZJRIMTIIEJAJ-MOPGFXCFSA-N 456.616 2.781 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1727208249 CMVILPGLDJOOSK-JVFUWBCBSA-N 499.639 2.673 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1740539245 SDXZOINQOWMHCK-CLOONOSVSA-N 451.571 2.559 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740571121 WVMFYSJOKZPCGB-NRFANRHFSA-N 464.614 2.890 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1740623722 ZSOKWWWLYFXWQZ-HXUWFJFHSA-N 496.637 2.815 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1740628432 QJAFBMVGQMYSML-CQJJOKNBSA-N 464.632 2.740 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1740632588 MFDATELRZAQYGM-UWJYYQICSA-N 458.360 2.837 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccnc1OCCOC 1740633113 VUBPBBNNVNUQMA-UHFFFAOYSA-N 469.343 2.577 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(CC)nn(C)c1OC 1740646734 AOWOBGLEWFJBEP-UHFFFAOYSA-N 462.554 2.778 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1740659139 UWPUKRAIHKXVFT-FQEVSTJZSA-N 453.591 2.858 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1740698420 DWAFRDQODARKBV-ZRZAMGCNSA-N 480.657 2.543 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740750178 NMPZBHUEECHARJ-QZTJIDSGSA-N 453.429 2.643 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740777853 NWKSMUAMDNIAMB-FQEVSTJZSA-N 472.615 2.728 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C(N)=O)C1 1740787892 LXHXDGIKZISBKZ-AWEZNQCLSA-N 464.364 2.621 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740811861 FITOJOZBNDTKHG-UHFFFAOYSA-N 472.037 2.833 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740843973 AJSOVMOMWPSMLI-GOSISDBHSA-N 457.600 2.762 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740849767 WQNXERMXJLJORY-UHFFFAOYSA-N 471.675 2.981 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2ccnn2)CC1 1740870439 NYMKLMXOTAXNQW-UHFFFAOYSA-N 484.630 2.670 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740946951 MDHBMTQCMQFKJA-JTSKRJEESA-N 465.620 2.594 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1740993968 LCYMEYXSFWAROY-NRFANRHFSA-N 483.550 2.500 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)c1 1748691991 APTMWBFSZGUXAZ-OPVJXMOQSA-N 459.554 2.995 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCN(CCN(C)C)CC1 1748803575 XMOFDTJMMXMSQI-NRFANRHFSA-N 473.666 2.693 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 1748803925 BDHXCZKHRJDKAJ-HLIPFELVSA-N 472.611 2.799 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1748875875 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C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2noc(C)n2)C1)c1ccccc1 1749242442 IWLBQQNUSRNRNR-FXAWDEMLSA-N 454.531 2.985 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N(C)C 1749531233 IGFPELPOVYGYNA-UHFFFAOYSA-N 454.556 2.802 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749653135 WPHKTOPNEIUYLX-OAQYLSRUSA-N 491.596 2.817 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1749690528 STQWNWLPJHKWQN-QGZVFWFLSA-N 459.597 2.886 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](C)N(C)C)C1 1749708465 KRZHFFSIBTZADT-OALUTQOASA-N 465.602 2.796 30 10 JFEE CC(C)(C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1750486391 DKTYZNWLRYZDHR-UHFFFAOYSA-N 486.624 2.763 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)c1C 1751324210 CNDTXLLDPQICHQ-OALUTQOASA-N 473.599 2.731 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(F)cc(OC)c1 1760111136 XDLSYHFPFCMCMH-OAHLLOKOSA-N 456.547 2.892 30 10 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C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760310500 HNRBPIVJAGVKDK-UHFFFAOYSA-N 480.798 2.684 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760357507 KBRDGMNJNGVKNA-HWPVKAJDSA-N 491.633 2.776 30 10 JFEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760373780 BTMJASXDYZDZCU-LJQANCHMSA-N 482.006 2.793 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1760374791 YEFJZPJBDDPAMQ-LPHOPBHVSA-N 484.022 2.527 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1760432388 IWFDAQBBNMSKOA-DLBZAZTESA-N 484.667 2.984 30 10 JFEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760514179 WAJKQHYVXDYJGW-LEWJYISDSA-N 495.628 2.885 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC(N)=O)CC1 1760518377 SOSIZYMWLDOXDA-UHFFFAOYSA-N 451.358 2.646 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1760552127 CTHOCHDRDFOFIF-QHCPKHFHSA-N 453.568 2.693 30 10 JFEE CCC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1763882041 ICKUPTGWHZMHOB-IBGZPJMESA-N 469.565 2.553 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1763923302 DGZMHEGVJOFUIN-AVRWGWEMSA-N 476.585 2.607 30 10 JFEE CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1765446259 CIRQQBQDOQDHBY-JOCHJYFZSA-N 478.645 2.879 30 10 JFEE CCO[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1765802713 GHTJMSCEQIXMIX-RTBURBONSA-N 466.567 2.776 30 10 JFEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1769133878 HTDDEXPIQRNDNC-GGAORHGYSA-N 468.602 2.558 30 10 JFEE COC(=O)N1CCC(Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1769461316 FKGSYGKRDDVFRN-DEOSSOPVSA-N 470.549 2.992 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1769550897 DPPKXKWTVPPLNF-RUZDIDTESA-N 461.570 2.716 30 10 JFEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1770504643 CVVMDQKIAVURNH-OAQYLSRUSA-N 477.562 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30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1359297857 FGCVYDFRQLSZGC-UHFFFAOYSA-N 451.962 2.618 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359305678 KHXSKHLBPCHZAV-LJQANCHMSA-N 488.017 2.837 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1 1359320799 VSSMZMYIUDCYNP-KURKYZTESA-N 462.595 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359328080 SNLUVCUPZGJXTC-FSSWDIPSSA-N 474.627 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359330013 CTHRKQMHLCZCQJ-UHFFFAOYSA-N 498.012 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359330269 MMSYDFMFLNNVRH-LJQANCHMSA-N 494.061 2.748 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1359330491 TXVYZQXCWMBGDX-UHFFFAOYSA-N 494.621 2.682 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCCCC2 1359466649 FIVVKBCTFNIKAP-MRXNPFEDSA-N 481.992 2.824 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1noc2c1CCCC2 1359486878 ICUGUMDQVOJWAH-IAGOWNOFSA-N 498.609 2.902 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1360298615 DECUNVWHRNGYAX-LJQANCHMSA-N 471.556 2.899 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc3n(n2)CCN(Cc2ccccc2)C3)cc1 1455198323 HVKMLYHWUQGLLI-UHFFFAOYSA-N 451.552 2.616 30 10 JFEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl 1468479016 IFOFWCOAQXKYJG-GFCCVEGCSA-N 457.733 2.627 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1500000211 BGRQRXHDIKUSSX-QRVBRYPASA-N 489.621 2.631 30 10 JFEE CCN(CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1502183907 HFOLPQYCMOGKDU-MSOLQXFVSA-N 497.666 2.618 30 10 JFEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(N3CCOCC3)CCCCC2)CCOC1 1502617952 CWXPGEUVJGESRZ-YKSBVNFPSA-N 460.623 2.704 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)Br 1507534917 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IRKHXWNSFMMTPI-LAJDMCDJSA-N 467.614 2.893 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539076887 WYASFOHSUACGLV-OAQYLSRUSA-N 463.630 2.637 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(c2ccccc2F)C1 1539232767 OFJAANAGLCQFDE-LJQANCHMSA-N 457.513 2.664 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCCc1ccccc1 1539347379 RAGSQKRNLQOBAY-UHFFFAOYSA-N 455.360 2.854 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1539437510 COIMLGWIKMGXSY-UHFFFAOYSA-N 463.586 2.875 30 10 JFEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539524390 BCUIXUXVJVVXEA-QHCPKHFHSA-N 480.682 2.563 30 10 JFEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCO1 1539592617 IKHFCZBOVQLAGF-CQSZACIVSA-N 469.409 2.762 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539637692 SOFJTGVONNCGBI-OFNKIYASSA-N 491.633 2.755 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1539706319 HBBQCRBORGGPKQ-FQEVSTJZSA-N 487.605 2.781 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539912724 PNPNFIXEQYMEDS-SFTDATJTSA-N 480.661 2.964 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1540865374 DJKQQKKOYYPRET-UHFFFAOYSA-N 486.935 2.904 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H](C)C1CCC1 1540870936 ADWPKTFLMLYIKW-IEBWSBKVSA-N 476.622 2.904 30 10 JFEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1559675074 ACGROBADCIJPGK-DYESRHJHSA-N 450.580 2.787 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2ccsc2)CC1 1587822960 HLEHSXHSQYADEU-UHFFFAOYSA-N 498.678 2.993 30 10 JFEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1587865839 YJKYJKUMEYVQBE-UHFFFAOYSA-N 466.605 2.946 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1588059866 WPFQPKBRAAEOAF-GOSISDBHSA-N 450.605 2.778 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCN1CC 1588139727 QOPBDSHWIWXQOA-NRFANRHFSA-N 454.619 2.950 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1588186316 VVMKHQYSIDZPEY-KNQAVFIVSA-N 467.536 2.666 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC(C)C 1588280376 KFCSFVUVWNBJRJ-UHFFFAOYSA-N 484.420 2.504 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1588473414 LXORFDVKEUVYOV-OAHLLOKOSA-N 476.965 2.764 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)s1 1588595451 UWEGZJNSSKBYJT-UHFFFAOYSA-N 473.624 2.700 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1588752445 SMLRZYXJNFXPAS-MCEYFSPLSA-N 473.662 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1588923886 PFIMNAYJSGUZSY-UHFFFAOYSA-N 471.487 2.712 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1589150571 HIOTVMUXEDIYQP-KIVTUJJHSA-N 484.670 2.791 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1589483756 QMGHLZJCQBICKQ-HKUYNNGSSA-N 480.660 2.659 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1589567512 DQFCDSRNXSOSHJ-JLGINSKQSA-N 464.570 2.767 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@H](CC)C1 1589715077 BHNOHKFMSGWSCF-LJQANCHMSA-N 475.663 2.670 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1Cc1snnc1C 1595085655 ZPNZUFFGYXGWEU-UHFFFAOYSA-N 453.572 2.810 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1595116730 VCKHFMSGVLPLLI-IBGZPJMESA-N 482.585 2.716 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H](C)C1 1595142646 TXDSOQMLZQQOFS-YESZJQIVSA-N 453.634 2.958 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)OCc1ccccc12 1595466670 LDKMCXVZIHWWDL-UHFFFAOYSA-N 466.586 2.525 30 10 JFEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)C1 1596421103 GFERNUFNMFRJME-REWPJTCUSA-N 450.568 2.891 30 10 JFEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1607686960 GSDBWIWUVRNESW-QHCPKHFHSA-N 452.603 2.915 30 10 JFEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1614969087 GBGGLCKJHHNTOR-PMACEKPBSA-N 452.559 2.508 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1616004330 HEOMZDFYAJNJQZ-RTWAWAEBSA-N 470.574 2.829 30 10 JFEE CCOc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)ccc1OC(F)F 1616323124 CADFRWIEBQPKCQ-GDBMZVCRSA-N 483.541 2.824 30 10 JFEE C=CC[C@@]1(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)CCCN1C(=O)OC(C)(C)C 1626119968 XGSLRHPIOVDDDA-QFIPXVFZSA-N 451.589 2.947 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Oc3ccccc3OC)C2)s1 1627071931 KSMNFXULNLDHMR-MRXNPFEDSA-N 450.582 2.834 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)s1 1640480728 YXBVCMQAWWABSQ-HSZRJFAPSA-N 459.637 2.880 30 10 JFEE C#CCN1CCC(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)CC1 1645780938 AIFZKAWCFVDXGE-SFHVURJKSA-N 452.418 2.514 30 10 JFEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 1663379364 QHMUAIKNNBPMOB-QHCPKHFHSA-N 456.564 2.900 30 10 JFEE N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)s2)c(C(F)(F)F)c1 1671601820 ANFKDSRRTWQAAB-WFASDCNBSA-N 453.446 2.779 30 10 JFEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1683813460 DMKNVLUMYYZMBP-AEFFLSMTSA-N 450.561 2.965 30 10 JFEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1689916833 YKRWMKWMDJRSNU-CXAGYDPISA-N 465.323 2.620 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689980125 MDOJHZYGCIQMIX-WMZOPIPTSA-N 481.018 2.859 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689986788 XAVSQMBTSGXMRI-VQTJNVASSA-N 467.595 2.686 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C(C)C)C(C)C)CC1 1690140320 USAAWYRQXJSHNW-UHFFFAOYSA-N 494.640 2.801 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1690199891 CKFWIDHKIGGWFF-UZUQRXQVSA-N 458.584 2.779 30 10 JFEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1690442500 UXDXGVQBHNSLFE-AZUAARDMSA-N 459.554 2.952 30 10 JFEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690467992 OQDXQIZFAVJHHC-UHFFFAOYSA-N 472.565 2.927 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690508284 FNGJYRLJGBXYAI-FQEVSTJZSA-N 485.610 2.692 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CCC1 1690558537 TZRYAXJNIJDIGW-XIFFEERXSA-N 466.611 2.880 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCN1CCN(C(C)=O)CC1 1690558729 YYNJBEYPEKTBTA-UHFFFAOYSA-N 472.597 2.512 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1690597222 MXPJLZHXDWBGEC-OAQYLSRUSA-N 471.583 2.778 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1690624090 GHQMMCYNCUYSRY-FQEVSTJZSA-N 487.605 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cc(F)cc(F)c3)CC2)nnc1C(C)(C)C 1690731376 JOTSRQKGJXJGED-UHFFFAOYSA-N 453.559 2.781 30 10 JFEE CN(C)[C@@]1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCSC1 1696607044 CKZFXIUAOBZFDF-IEGUWTFLSA-N 491.662 2.516 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705511512 WXNQBGQLFLSKHR-VWLOTQADSA-N 480.569 2.580 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705512432 BVKHTNZVEUAHKF-RUZDIDTESA-N 480.569 2.580 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1705560549 IAXUCOOJDBLYMN-IBGZPJMESA-N 487.532 2.811 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccco1)N1CCCC1 1705575196 YPYKPEFYIGNVKQ-OFVILXPXSA-N 451.571 2.822 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCC 1705597754 PGNWFNVKDNYRBK-VXKWHMMOSA-N 484.645 2.924 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)Br 1705630259 LZIYWQCCRSDZQI-UHFFFAOYSA-N 454.275 2.802 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](F)COC)CC1 1705645083 KRAXBXSSHZCOCR-LPHOPBHVSA-N 461.513 2.508 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1705676732 MQFYNXKFESYPKJ-XMMPIXPASA-N 482.610 2.614 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1705679332 JVDSFHBDVDTNBL-CVEARBPZSA-N 469.428 2.846 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705692263 DLWSPFAOCKGHBB-JZXOWHBKSA-N 470.412 2.796 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1705740533 OIRXNHXPHINDFV-OALUTQOASA-N 476.622 2.905 30 10 JFEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705757855 AFGIVCCEQKRULW-SFHVURJKSA-N 458.950 2.699 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1705796266 BVRKQQRBYNVRFG-YADHBBJMSA-N 471.627 2.599 30 10 JFEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC(F)F)OCO2 1705833621 NQECRIKIVPIJGT-UHFFFAOYSA-N 458.425 2.926 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCN(C(C)C)CC1 1705836641 ZZDBUQHQPLSATM-UHFFFAOYSA-N 451.413 2.904 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705886451 WURNSUMIOGUSAS-UHFFFAOYSA-N 490.450 2.757 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)OCC)CC1 1705906792 OWNZCFMDCXQYSM-UHFFFAOYSA-N 497.383 2.745 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C2CCC2)CC1 1705908183 KKISWUNKOYXTOM-UHFFFAOYSA-N 456.616 2.556 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1705937545 XIHCBCZNMCFSEC-OAQYLSRUSA-N 453.568 2.912 30 10 JFEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1707811576 DCWGNQQKILYEKE-XMMPIXPASA-N 464.549 2.768 30 10 JFEE CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1708766463 AFYSWIGVAHVYIO-LJQANCHMSA-N 452.559 2.859 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2CCN(C3CC3)CC2)c1 1722307974 ZYXVMLKMNMBURZ-UHFFFAOYSA-N 450.587 2.745 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 1722316714 LULSBOMTQYRSOU-NRFANRHFSA-N 471.627 2.583 30 10 JFEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722333826 OPGNZQXRZGMRNF-QFIPXVFZSA-N 456.635 2.704 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1722354258 BUIBGPQLOAGEDC-AABGKKOBSA-N 460.623 2.776 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722360062 CMXCJCAEIDIFEK-OAQYLSRUSA-N 485.654 2.845 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)NC(=O)OC(C)(C)C 1722387825 ZCZBFAABECXVKY-UHFFFAOYSA-N 470.599 2.646 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(C)=O)cc1 1722428485 GHRHWODWDCZLRX-UHFFFAOYSA-N 488.596 2.545 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(CN2CCOCC2)CCCCC1 1722429327 PRKMQWQQQFSJRP-JOCHJYFZSA-N 459.635 2.888 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C)s2)CC1 1722443521 KSOCQXHIHQNKFM-UHFFFAOYSA-N 497.646 2.733 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1722449664 XDOAKZFLRQPAQA-VWLOTQADSA-N 496.637 2.717 30 10 JFEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722579782 TWMVHRPYCXYCQL-GOSISDBHSA-N 498.575 2.935 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1722603924 QIVNVUBRZDEQAZ-WIYYLYMNSA-N 475.615 2.755 30 10 JFEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722627459 VGCYYZOJGLRJBP-UHFFFAOYSA-N 466.630 2.981 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1722697650 NQYIXIYNFTUXKP-HXUWFJFHSA-N 481.626 2.522 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)C1 1722710899 PXQKKUUOASHXAW-PXDATVDWSA-N 456.587 2.987 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1722715320 NUXGEMZNJNSQDX-MAUKXSAKSA-N 468.526 2.763 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722862888 FTINCSCYIPPHCE-QPSCCSFWSA-N 450.531 2.853 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1723986890 ACLURZBOPPQFHP-OPAMFIHVSA-N 476.940 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C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(SC)CCOCC2)CC1 1286489571 XYFRXSREXXHTIW-UHFFFAOYSA-N 471.602 2.962 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1286592521 JQXXLRZPCNDZEQ-KRWDZBQOSA-N 457.959 2.616 30 10 JFEE C=C(C)Cn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286599412 UCDHKKIVEXTTIC-QHCPKHFHSA-N 458.563 2.590 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1286606699 YPTOVGMSIRXNJB-IBGZPJMESA-N 476.622 2.905 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286757760 VMFGJFDSLMZGRX-FUMNGEBKSA-N 459.591 2.985 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286770017 LMWFIGARJHPVNF-UHFFFAOYSA-N 470.375 2.658 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286792233 RMDBBAATZNSYJV-NRFANRHFSA-N 490.612 2.671 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(C)(C)OC[C@@H]2C)cc1 1286794292 BVYYTSOTQYAIKX-DLBZAZTESA-N 463.604 2.505 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC(F)(F)F)C1 1286807699 FKMCQHXAENGRCD-MRXNPFEDSA-N 461.448 2.901 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286824171 VYHKEYDBWIZLPI-NRFANRHFSA-N 496.058 2.541 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1287081902 BFRWEZOUFLXMPA-VQTJNVASSA-N 457.600 2.893 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 1295951927 QNIUDCSHYVYIQP-LJQANCHMSA-N 452.479 2.966 30 10 JFEE CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1296079183 CTGHUHOBQIMERI-FCHUYYIVSA-N 465.602 2.740 30 10 JFEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2ncccc2F)CC1 1297969692 BLJVNDDSRBPTSC-UHFFFAOYSA-N 476.560 2.936 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(F)cn2)c1 1300334546 PHDVVNXZMXFXNK-UHFFFAOYSA-N 455.497 2.903 30 10 JFEE C#CCCCn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1[C@]1(OCC)CCOC1 1300425635 WGWOUEBICYYLGV-FQEVSTJZSA-N 450.465 2.715 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(C)(C)O)cc1 1300438013 CZXGAGHUVPDJPW-UHFFFAOYSA-N 466.611 2.892 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300495211 FMSNDBXVDBKBPF-BQJUDKOJSA-N 464.632 2.742 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1300703659 ODAZTXPWLCZFFI-WOJBJXKFSA-N 456.660 2.573 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCNC(=O)OC(C)(C)C)CC1 1300710093 RTTRKKLDEHYRRH-UHFFFAOYSA-N 486.642 2.859 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300889134 OWTALCXGFDEEPU-IPJJNNNSSA-N 450.591 2.835 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1300914031 AAOZWBRGXXZGDW-PMACEKPBSA-N 481.663 2.895 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301000530 SPUKPOYSCJGPHT-GOSISDBHSA-N 454.980 2.727 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1301017252 IAZMWSYTAZOKHN-JYJNAYRXSA-N 491.058 2.770 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2N2CCCC2)CC1 1301065218 CJTBTUPTQXQQPA-KRWDZBQOSA-N 462.595 2.832 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCS(=O)(=O)CC2)C1 1301557615 VUMLQYZJXOKYJR-KRWDZBQOSA-N 466.554 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1301588722 IQDOQXRAOKSOKC-RBBKRZOGSA-N 473.643 2.831 30 10 JFEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 1312537902 ICNHVXFAGFFRSB-UHFFFAOYSA-N 451.502 2.950 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N(CCc3ccccn3)Cc3cccnc3)C2=O)cc1 1312625241 HZVRTIOJYVYBPQ-XMMPIXPASA-N 454.534 2.904 30 10 JFEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1)[C@H]1CC[C@@H](C)C1 1316082707 HQFDNCOIUKSXNX-MJGOQNOKSA-N 450.547 2.547 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2CC)c1 1358902853 BFLMTHYKOPLMPJ-HSZRJFAPSA-N 457.582 2.804 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1358908242 QMJWYVFEICZHNY-UHFFFAOYSA-N 458.994 2.621 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(CC)C(=O)C1 1358928545 DVRHJEINXTVZQK-IBGZPJMESA-N 458.607 2.865 30 10 JFEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1358935081 WLMNDGSPFGMRTH-OAHLLOKOSA-N 453.440 2.914 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1358957682 YHNPQWHIRKWPKC-QUCCMNQESA-N 452.584 2.652 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358967380 JGUMJYXZKJLKHX-QGZVFWFLSA-N 489.598 2.690 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(OCC(N)=O)c1 1358972767 RYELCLKNRDPBBV-UHFFFAOYSA-N 484.379 2.754 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCOc2ncccc2F)CC1 1359029947 LAYUTMAIQPGESW-GOSISDBHSA-N 468.508 2.926 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)CN2CCCC2)CC1 1359034932 HDQKXMYTWNOTRB-JOCHJYFZSA-N 499.704 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](c2ccco2)N(C)C)CC1 1359046490 TYALHHJLLQZMIG-JOCHJYFZSA-N 490.608 2.739 30 10 JFEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359084914 WASSQZYLSAMYFS-UHFFFAOYSA-N 493.793 2.952 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1359184115 CRABWTCIVDITOZ-UHFFFAOYSA-N 486.642 2.609 30 10 JFEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359285546 PFVWEFLZQRDVGG-CQSZACIVSA-N 484.420 2.668 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)cc1 1359307165 CHVAXNKIVLKXRQ-PZJWPPBQSA-N 466.586 2.583 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C2CC2)C1 1359314861 JCKVMOHUCYBNJL-YLJYHZDGSA-N 459.616 2.613 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1359318547 HIXYGZFMNRPKSY-OAQYLSRUSA-N 464.570 2.580 30 10 JFEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 1447406882 CROAHHZIJSLJGL-XOBRGWDASA-N 457.943 2.518 30 10 JFEE C=CC1(CC(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)CN(C(=O)OC(C)(C)C)C1 1447656275 XLXPQMWTTXWLGY-UHFFFAOYSA-N 452.573 2.536 30 10 JFEE COc1ccc2c(c1)OCC[C@H]2NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1456957111 HGCRNIYFIBSFCE-OAQYLSRUSA-N 455.536 2.608 30 10 JFEE C#C[C@H](NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 1464917869 QKKMBVBFWUFNTH-SFHVURJKSA-N 451.907 2.996 30 10 JFEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C2CCCC2)CC1 1504853942 DGLFIULLDCXJGI-UHFFFAOYSA-N 451.619 2.850 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cn(C2COC2)nn1 1507521712 BGGAZDNNRRDJDD-AWEZNQCLSA-N 456.348 2.685 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2Cc2c(C)nn(C)c2C)c1 1507546654 GXYXYMHOPHSCKA-UHFFFAOYSA-N 490.612 2.651 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507581844 ZVBUTOBZHQTSQB-FQEVSTJZSA-N 453.587 2.924 30 10 JFEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507596531 KXYFIDWHFMUYDH-IFMALSPDSA-N 458.651 2.601 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc(C)nc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1507622572 JQAISKRCFVZFEF-RXVVDRJESA-N 470.643 2.770 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1507625880 BXQUXVUBMCJZDK-NRFANRHFSA-N 455.584 2.506 30 10 JFEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1507626825 PTUAPRJPWSXPKM-WIOPSUGQSA-N 486.638 2.556 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1507629911 QTBSPLSJAYXUHO-MSOLQXFVSA-N 462.666 2.729 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507638046 NWCDCJMTCDFLEA-GOSISDBHSA-N 471.608 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2scnc2C)CC1 1507733847 CGPKQARSAORCHW-UHFFFAOYSA-N 479.566 2.827 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N1CCOCC1 1507814235 FRNMKGJISBVWOX-UHFFFAOYSA-N 478.391 2.977 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1507840770 PFADDZNGBRYFOD-KOSHJBKYSA-N 458.559 2.939 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507877208 CNQIJIVXOQUETJ-MRXNPFEDSA-N 462.572 2.562 30 10 JFEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O)c1ccccc1 1507923720 BPSLIIYCNYYVJC-JPEMRHQPSA-N 473.643 2.845 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1507944240 PYWYUDKLSUCZGV-SJORKVTESA-N 470.640 2.690 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507973632 MGYMEARHPOPVEZ-ZDUSSCGKSA-N 472.384 2.750 30 10 JFEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1508057678 JQUVCFXGVLMYIN-GJZGRUSLSA-N 454.522 2.886 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508152128 IMXXQCHWGUXJCO-ZDUSSCGKSA-N 453.410 2.632 30 10 JFEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCOC1(C)C 1512574178 FGXCZWZGHCSJNM-IBGZPJMESA-N 468.602 2.579 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCC(F)(F)F)nc1 1539002158 AGAQHKRSJQXGGT-ZDUSSCGKSA-N 462.432 2.848 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1539125949 REESZMCFMCYMOJ-CTNGQTDRSA-N 483.617 2.802 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1539205331 GREPLKXKBYKHSG-IKGGRYGDSA-N 466.604 2.935 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539340504 NOGQKNJZTGPQRW-HXUWFJFHSA-N 473.537 2.551 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCSC1(C)C 1539405699 JAKHVWGXWRDRJI-GOSISDBHSA-N 452.588 2.539 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](OC)C2CC2)CC1 1539468157 AYJGWQGOUBXBJQ-JTSKRJEESA-N 469.561 2.948 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C)COC2)CC1 1539468971 LAHQWCGKQZOCIG-KRWDZBQOSA-N 455.534 2.560 30 10 JFEE C=CCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1540007475 PJGRJNLABOOEMR-WOJBJXKFSA-N 484.601 2.980 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(=O)N(C)C)CCCC1 1540051622 JHDUHHIISBUOLO-UHFFFAOYSA-N 473.647 2.817 30 10 JFEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1540110991 ALEPJHWFXPEJJA-UHFFFAOYSA-N 458.613 2.745 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1540146757 JFTPLIULTMVFKY-IBGZPJMESA-N 475.596 2.594 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540197962 AONDOBGYORVMLQ-PZJWPPBQSA-N 456.591 2.827 30 10 JFEE C=CC[C@@]1(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 1540616930 KIMWUGDWQIUPDR-QFIPXVFZSA-N 451.589 2.899 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)=O)CC1 1540874940 WTYHNFSIXXKZRK-UHFFFAOYSA-N 468.602 2.562 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)CCC)C1 1540890867 LDKOZKBIGMEEGB-HYBUGGRVSA-N 455.607 2.785 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](COC)C1 1540899382 MBFMYQHNEKLYIP-HNNXBMFYSA-N 469.405 2.781 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1540933563 VSPKHCGVVKTYBM-FQEVSTJZSA-N 474.512 2.600 30 10 JFEE CCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)NCCOC 1548379161 FRJMYRKWUGXIJV-LJQANCHMSA-N 466.504 2.795 30 10 JFEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCS(=O)(=O)C2)cc(OC)c1OC 1554732638 AFYCUAWXCBAYQQ-JKSUJKDBSA-N 477.587 2.534 30 10 JFEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOCC2(C)C)cc(OC)c1OC 1554732875 DTLPVYDHRLOBIN-QGZVFWFLSA-N 472.590 2.820 30 10 JFEE C[C@H](CC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)/N=C1/NS(=O)(=O)c2ccccc21 1556801907 AXKJTTTYAPHUSA-ABAIWWIYSA-N 456.351 2.660 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1587719255 XDBWTUKDSKACMW-RXVVDRJESA-N 459.616 2.860 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCSC1 1588214736 YIWJRBGGSGUDHU-SFHVURJKSA-N 456.641 2.844 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(C)CCCO2)CC1 1588812661 SMZGAGCSYPUWRN-CPJSRVTESA-N 472.634 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCC[C@@H]2C)CC1 1588968999 UJKASXHWIPZCPO-AVRWGWEMSA-N 469.561 2.513 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 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JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCCC1=O)S(C)(=O)=O 1722874434 FQDOBCLSOSYYIS-MOPGFXCFSA-N 486.642 2.867 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)N2CCOCC2)c1 1724248690 ALEHLWWBDYACAD-IBGZPJMESA-N 454.575 2.886 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCO[C@@H](C)C2)cc(OC)c1OC 1729972311 CTKNMCUSMUXHBN-YQVWRLOYSA-N 471.558 2.905 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCO[C@H](C)C2)cc(OC)c1OC 1729972312 CTKNMCUSMUXHBN-ZHALLVOQSA-N 471.558 2.905 30 10 JFEE COCC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCC1 1730509096 AALVPCQZTNMMKE-NRFANRHFSA-N 487.626 2.949 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1740537453 UZAGSIBKHRCXSL-NVTAWBTOSA-N 456.543 2.767 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1740620552 QIJNAHAFZYOZGM-INIZCTEOSA-N 472.521 2.656 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1740624646 AAIPFDFJDWGKBH-MOPGFXCFSA-N 475.640 2.702 30 10 JFEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1Cc1cccc(N2CCOCC2)n1 1740656639 PGLLHMZCWIBTAV-UHFFFAOYSA-N 454.578 2.806 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CCC 1740663709 QXOKCDUKWCXFBG-IBGZPJMESA-N 457.648 2.881 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccnc(OC2CCOCC2)c1 1740686947 YWVRQEBSWPXRBB-OAQYLSRUSA-N 455.559 2.607 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1740695470 SDYOHCZILDHKSI-DEOSSOPVSA-N 450.974 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1740701541 LCSAKWIRHIITJI-MOPGFXCFSA-N 456.978 2.774 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(F)cccc2Cl)CC1 1740702988 ZRBYMNQWLQLKGE-MRXNPFEDSA-N 477.968 2.809 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOC(C)C)CC1 1740703103 GKPQEDKFUDBANW-UHFFFAOYSA-N 461.513 2.937 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740749689 CFRWLCDYHRBAFJ-MRXNPFEDSA-N 478.395 2.862 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1740782129 ZPKWVDJHXWJKBU-UHFFFAOYSA-N 463.586 2.994 30 10 JFEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740857109 DCGINFRIJPAKHG-DXIQSLLYSA-N 452.621 2.701 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740880914 QSXHSSLNUKLKFI-DEOSSOPVSA-N 487.626 2.755 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(c2cccc(OC)c2)CC1 1740963545 ODIPRTWSSUYZKU-UHFFFAOYSA-N 494.621 2.964 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)OC(C)(C)C2)cc1 1740967504 IQGPLYWUDSFULI-HKUYNNGSSA-N 460.600 2.797 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)s1 1740989923 BXCFYQQYYMUJOX-UHFFFAOYSA-N 485.433 2.740 30 10 JFEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1ccccc1Br 1740995741 WFGDTDICVDEIGH-UHFFFAOYSA-N 451.350 2.786 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1748641617 ITLMWWRBXWXTNU-FNZWTVRRSA-N 465.598 2.947 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C2CCCCC2)N(C)C)c1 1748691996 AQHHDNZTKMHEIH-GOTSBHOMSA-N 491.640 2.796 30 10 JFEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748762611 MZCLDFQCFFRCRR-UHFFFAOYSA-N 484.626 2.567 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1748810066 RTBUKFWHWPAZHB-QGZVFWFLSA-N 470.551 2.539 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748810233 URRQLUZTTQRZRC-WMLDXEAASA-N 474.480 2.678 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1748814860 KGSYTBAVQSZRIL-IAGOWNOFSA-N 477.656 2.949 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748816078 WQQLENKZMPXTST-UGKGYDQZSA-N 488.610 2.624 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748819141 LIDBCNXAUMJXFB-LJQANCHMSA-N 465.019 2.700 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748819614 QDUZNFVZRVNFGX-VQTJNVASSA-N 460.987 2.842 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748821957 WWEWBUVRLSRGIB-KCEHZKJRSA-N 488.679 2.564 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)C1CC1 1748876777 STZDAPQZFAWVQO-UHFFFAOYSA-N 458.335 2.836 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1oc(CC)nc1C 1748915541 XEKPMGBHEXOAHE-UHFFFAOYSA-N 456.572 2.562 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(SC)CCN(C)CC1 1748920837 SIPRMABXGWYGHZ-UHFFFAOYSA-N 475.688 2.525 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CN3CCCC3=O)n2C2CC(C(C)(C)C)C2)n1 1748971349 MOQSBQXCXSEOKL-UHFFFAOYSA-N 467.618 2.880 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCOCC(F)F)CC1 1748984908 VRVHZQTWZGSDQZ-UHFFFAOYSA-N 484.345 2.753 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1748990301 GTHJPPBVSQGSPN-NRFANRHFSA-N 470.618 2.842 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1749039264 RVAPYNJPPBDYDR-OAQYLSRUSA-N 485.629 2.959 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1749103415 VSUSQRIFZKTJAS-GOEBONIOSA-N 484.420 2.926 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCCO1 1749120613 GOCCUHNRRYXCTK-TUNNFDKTSA-N 489.642 2.792 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ncnn1CC(F)F 1749133342 KPONJHBFKQYZES-LAUBAEHRSA-N 458.517 2.738 30 10 JFEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC1 1749256512 HBYVSTLLAKGSCC-GOSISDBHSA-N 454.600 2.691 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1749303735 OBECZKRDCJTOPR-XLIONFOSSA-N 496.033 2.888 30 10 JFEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749393113 KMQAWCTXWOWVPA-KRWDZBQOSA-N 461.588 2.543 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1749430319 MWIKYRWMMPMKKR-KRWDZBQOSA-N 476.578 2.632 30 10 JFEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](OC)C(C)(C)C1 1749456433 FJYYFGIZNCSGSM-HXUWFJFHSA-N 455.607 2.906 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSC(C)(C)C1 1749655481 MESYWNLWMPUTDJ-UHFFFAOYSA-N 461.588 2.605 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1749676826 FPTPRGISMINGIM-UHFFFAOYSA-N 466.586 2.772 30 10 JFEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1749751815 BCOZTUWKOBLXJF-UHFFFAOYSA-N 474.656 2.828 30 10 JFEE CS(=O)(=O)N1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1750208580 GOYOOBOPSZLCGY-QFIPXVFZSA-N 470.643 2.865 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1CCS(=O)(=O)CC1 1760106656 GCEQENNSIQODRG-AWEZNQCLSA-N 451.390 2.990 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1760111288 YRBPDEMEZOSGGV-IRXDYDNUSA-N 489.646 2.952 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCSC2)c1 1760128106 YWLQENOJBKVOOM-IBGZPJMESA-N 466.611 2.600 30 10 JFEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760137341 RBGHQOYSLGWAKK-OAQYLSRUSA-N 453.591 2.703 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1760184053 UFJALRZOIQLENM-SFHVURJKSA-N 456.593 2.999 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C)n1 1760242058 RKWYQAWHBFBDSH-GOSISDBHSA-N 473.599 2.967 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccnc1-n1cccn1 1760244397 TVAUZNFAZWZQCZ-UHFFFAOYSA-N 495.385 2.761 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCCNC2=O)CC1 1760276773 ONVQTKGTHNCRNG-UHFFFAOYSA-N 460.007 2.744 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760305332 ATPJXGLQKVALHK-UHFFFAOYSA-N 468.359 2.915 30 10 JFEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1760307693 VCJXLJWYOLQYQH-INIZCTEOSA-N 496.410 2.865 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760312581 AMTLCTUWHHBHSI-CTNGQTDRSA-N 489.665 2.762 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760317211 CBYFNGOYSJLZAN-XLIONFOSSA-N 495.049 2.835 30 10 JFEE 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Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)n1C 2362338671 GQHJPFDOVTVENQ-GOEBONIOSA-N 462.400 2.546 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@]3(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2373498278 SSJHCAAVQYJFND-IWWZPCLWSA-N 466.582 2.795 30 10 JFEE COc1ccc(-c2ccc(N3CCN(C(=O)COc4ccc(C#N)cc4)CC3)nn2)cc1OC 13665400 MOUUHXIYHYIGFD-UHFFFAOYSA-N 459.506 2.760 30 10 JFEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)c2C#N)C1 14017480 ZURPIUCOEFMYFW-OAHLLOKOSA-N 490.582 2.703 30 10 JFEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3Cl)n2N)c1 20528189 AVUFHUZLWYCILX-LSHDLFTRSA-N 458.935 2.781 30 10 JFEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)c1 21325976 HFPNOICJBQZUQJ-DHRITJCHSA-N 468.543 2.526 30 10 JFEE C=CCCOc1cccc(-c2nnc(CCC(=O)N3CCC[C@@H](C(=O)OCC)C3)c(O)n2)c1 34765860 NZPKJUWLROJVPP-GOSISDBHSA-N 454.527 2.933 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccc(OC)cc3OC)n2)cc1 59016729 PMWGCIQAIXXHSD-ZMOGYAJESA-N 470.555 2.728 30 10 JFEE COc1cc([C@@H]2c3c(nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc(OC)c1OC 72444839 HLQKBVOSLLWDPZ-OSDKZWGASA-N 467.526 2.502 30 10 JFEE N#Cc1cnn(-c2ccccn2)c1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 170498127 KKNSIVLYQUNYCK-UHFFFAOYSA-N 473.449 2.842 30 10 JFEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4cccc5ccccc45)CC3)nc2c1 247982387 HOMQAEJSRQKXNS-UHFFFAOYSA-N 474.542 2.855 30 10 JFEE COC(=O)c1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCOCC3)C2=O)cc1 526695448 PEEGVAGZJHLVED-UHFFFAOYSA-N 478.530 2.566 30 10 JFEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1 585832507 DSFFNGWKHKYKGU-BLHZAYPQSA-N 456.480 2.955 30 10 JFEE COc1ccc(OC)c(/C=C/C(=O)[C@H]2CNCC[C@@H]2NC(=O)c2cccc(NC(C)=O)c2)c1 585838247 JDUQKRIUOMJXJL-CUNKWAAUSA-N 451.523 2.653 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CCCOc3ccc(C(=O)O)cc3)cc21 586312222 FEUCSUPQPSHWJY-YTTGMZPUSA-N 457.504 2.697 30 10 JFEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(NC(=O)c2ccoc2C)CC1 608977138 CJTNEOXIGJRZQL-UHFFFAOYSA-N 455.559 2.747 30 10 JFEE CC[C@H](C#N)NC(=O)c1cc(I)cc(I)c1O 701298155 NFLBSZDLRLZGIF-SSDOTTSWSA-N 456.021 2.633 30 10 JFEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1F 729668535 MFQRQKWVUBBQSY-UHFFFAOYSA-N 464.497 2.943 30 10 JFEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](O)C(=O)O 757396843 DGSPSGLRKMPEIK-YADHBBJMSA-N 465.506 2.539 30 10 JFEE C=CCn1c(-c2cccnc2)nn(CN(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1=S 919957003 MWJGWVOUKZEVFI-UHFFFAOYSA-N 487.630 2.631 30 10 JFEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(Cl)c3)n2N)c(OC)c1 1084092056 RUYLOHJTIKAPFP-UHFFFAOYSA-N 461.935 2.839 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(Cl)ccc1Br 1143121956 HZPKJOJLWZCZKN-NSHDSACASA-N 456.749 2.957 30 10 JFEE C#CCC1(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CCOCC1 1155807539 VNGZKVBNGPENDV-UHFFFAOYSA-N 454.548 2.670 30 10 JFEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1170263579 CIOGSPBVWSXXLO-QAPCUYQASA-N 458.868 2.698 30 10 JFEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cn(C)nc1Br 1211522013 YBBQMPSJVZZESX-OAHLLOKOSA-N 456.362 2.534 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCSCC2)cc1 1286275736 OXDIDSZRHYVGFG-CYFREDJKSA-N 455.628 2.990 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286283062 UHSFCPZIYWIVRE-HZPDHXFCSA-N 460.376 2.660 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286388559 RIOYBNKETRVRID-SFHLNBCPSA-N 473.643 2.841 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cn2ccccc2n1 1286421981 SWHRHLJYIWDZRU-UHFFFAOYSA-N 472.574 2.702 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@@H]2C)n1 1286471111 IQQVWJNPXSXLDR-TYPHKJRUSA-N 499.616 2.650 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1286474363 DLVXYLUFCUANMS-UHFFFAOYSA-N 481.482 2.956 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(OC)CC1 1286499006 CQQJOPVJNHQGCA-HSZRJFAPSA-N 491.683 2.957 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286602421 ZPHCXMBUKHZZDW-FQEVSTJZSA-N 475.615 2.753 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286614079 KCOHHWBHNNNQAF-UUOWRZLLSA-N 474.606 2.802 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OC 1286755367 VXVFFRJYEZYQCK-UHFFFAOYSA-N 453.572 2.869 30 10 JFEE CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1293816421 DKNZCPHVTFDSOF-YKSBVNFPSA-N 452.559 2.700 30 10 JFEE CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1295418239 CXUPEIRISKSGRV-XXBNENTESA-N 471.631 2.600 30 10 JFEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)C)ccc1OC(C)C 1299850073 FIJIBJAARYZWKP-HSZRJFAPSA-N 458.538 2.955 30 10 JFEE COc1ccc(OCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)cc1 1300318751 IAPOVCTZJYIRCJ-QFIPXVFZSA-N 470.530 2.799 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2cccs2)CC1 1300338876 IPJMWSMUAVFDCR-MRXNPFEDSA-N 463.629 2.853 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)C(C)C)CC1 1300371224 ANYZXUZGZQAWLP-UHFFFAOYSA-N 456.616 2.768 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1300458184 DYLOYPOFOIZYPR-IBGZPJMESA-N 496.603 2.818 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccncc1Cl 1300545017 FYULEYSAEPOSLS-UHFFFAOYSA-N 474.012 2.812 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(C)(=O)=O 1300887221 AQJFJTMGZPFZRB-FOIQADDNSA-N 454.543 2.609 30 10 JFEE C#C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C1CCOCC1 1301134325 VGVSEMSMRJHKIL-LJQANCHMSA-N 457.508 2.862 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1301137653 UQWFXKFSDUGXAE-INIZCTEOSA-N 461.636 2.514 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cccs1 1301510141 UIEVLMUKXDFOBV-HNNXBMFYSA-N 456.597 2.975 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1301586660 HSZUOWGKWVRKPN-UHFFFAOYSA-N 472.615 2.974 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CCC(=O)N2CCOCC2)cc1 1302993655 FVDDDHQKVIBMCZ-UHFFFAOYSA-N 492.502 2.756 30 10 JFEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C(=O)OC(C)(C)C 1303699292 HOMRCIJPYQRVEP-APWZRJJASA-N 488.614 2.695 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(CCC#N)CC2CC2)n1CCC(C)(C)O 1304056810 CWAPZBRPIHQOKV-UHFFFAOYSA-N 459.620 2.838 30 10 JFEE Cc1ccc(-c2nc(CCn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)[C@@H](C)CC#N)co2)cc1 1304295487 CPCYWNBEXNCOSY-DLBZAZTESA-N 471.587 2.833 30 10 JFEE CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1F 1305845347 CDUZLZQPQMZPRE-OALUTQOASA-N 453.522 2.865 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC[C@H]2C)c1 1358903071 KODFPNDOAKYACH-CTNGQTDRSA-N 458.566 2.993 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1358958427 NQVVPANDBAADJC-GCJKJVERSA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358966853 XYVOWGXVLJPIOO-LJQANCHMSA-N 485.635 2.512 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCSC1(C)C 1359023443 KXGYGVPWBASVET-KRWDZBQOSA-N 466.611 2.810 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC(C)C)c2)CC1 1359045123 XQTUKHKELVTMHR-JOCHJYFZSA-N 465.598 2.831 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1359103162 KXRSYTMNHSVKMR-VGSWGCGISA-N 478.590 2.991 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359146067 MKOHUBDLBSGYOE-OAHLLOKOSA-N 453.305 2.963 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1)C1CC1 1359251364 JUXODVVAOOCONC-LJQANCHMSA-N 477.606 2.673 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1359254921 IAZQMPYUPHWWSY-NHCUHLMSSA-N 473.643 2.866 30 10 JFEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359286517 XFFIQMNOFLSTDH-UHFFFAOYSA-N 465.558 2.683 30 10 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455.555 2.906 30 10 JFEE CO[C@@]1(C(=O)O)CCCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757470982 NUFVFNZDASOZIN-SANMLTNESA-N 462.502 2.621 30 10 JFEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n[nH]2)c1C 1084001960 GQPSEZVYTSWWIL-UHFFFAOYSA-N 455.504 2.889 30 10 JFEE O=C(CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1ccccn1 1084556867 JAUZBLWWJOUIRS-UHFFFAOYSA-N 457.432 2.583 30 10 JFEE CN(C)c1ccc(N/C(=N/CC(C)(C)CN)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 1088735227 CXSCLYHXVBKWFZ-UHFFFAOYSA-N 477.657 2.934 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1-c1ccco1 1269860311 JCDWFNDMLPPICD-ZDUSSCGKSA-N 457.478 2.733 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1286386754 GZUDBYNPXHNLRI-CYBMUJFWSA-N 479.459 2.572 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286394142 UXODFRGFKHTTGW-LJQANCHMSA-N 499.662 2.766 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCO[C@H](C)C1 1286460079 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1300719061 NEWZHTRZZNCKRJ-UHFFFAOYSA-N 492.624 2.711 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300768473 SBFVHFSUQAUZOZ-HSZRJFAPSA-N 452.672 2.646 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300888048 HMHXMFLFXLZHGD-NQIIRXRSSA-N 453.653 2.756 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(OCC(N)=O)CC1 1300934783 BPPZYGLMSXLWFK-UHFFFAOYSA-N 464.364 2.763 30 10 JFEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300963795 IDFVAPUNISATPY-UHFFFAOYSA-N 482.629 2.904 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1301228931 ATVKIYIWZPLXAF-UHFFFAOYSA-N 487.605 2.756 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccccc1)N1CCOCC1 1301305177 QZRWDISYYJPIBR-HXUWFJFHSA-N 466.611 2.965 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1301341245 PWUFFMOIKCFYML-SFTDATJTSA-N 452.559 2.532 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1301384226 RLZJGIVXJFSLNC-PMACEKPBSA-N 477.613 2.870 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2ccncc2)C1 1301544417 XKACWIKGSKFUQR-NRFANRHFSA-N 482.610 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301576954 CNPLAQBUBXKMII-UHFFFAOYSA-N 497.650 2.505 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCOC1 1301578260 URXATLIJMADVBD-AWEZNQCLSA-N 455.378 2.534 30 10 JFEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301615007 DGEPLVMWSYRYNN-NZQKXSOJSA-N 498.697 2.786 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCNc1nccc(C(F)(F)F)n1 1301970447 FPTFJSFFAMLYQZ-ZDUSSCGKSA-N 493.519 2.786 30 10 JFEE Cc1cc(C)n(-c2ccc(Cn3c(-c4ccc(C#N)cc4)nnc3N(C)[C@@H](C)CC(N)=O)cn2)n1 1304730676 BVVAMJDATVXECR-KRWDZBQOSA-N 469.553 2.763 30 10 JFEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)OC 1305690187 HRIVKZFOLUTXJU-UHFFFAOYSA-N 488.596 2.842 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1315129451 DQEBMQBPPDXUFF-QFIPXVFZSA-N 481.601 2.738 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2cc(C)oc2C)c1 1315354552 HIJGUBYWLNNJPK-RDPSFJRHSA-N 467.526 2.809 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358958480 PCLZQGUXFMVWOT-AEFFLSMTSA-N 480.009 2.849 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCc1nccc(C(F)(F)F)n1 1358997575 XTQPONHJNVMTHN-UHFFFAOYSA-N 456.476 2.654 30 10 JFEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359006703 GTGCXDHRKHNGML-HSZRJFAPSA-N 474.613 2.533 30 10 JFEE C#CCSCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359062215 ZMLZXSLTOGJIHZ-HDICACEKSA-N 488.658 2.522 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359152669 FJLXXDFXGDDNLD-UHFFFAOYSA-N 473.940 2.818 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359203459 PJQVMKQERBUHER-OAQYLSRUSA-N 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458.607 2.865 30 10 JFEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705538249 HTEOWKDNJYXCSO-UHFFFAOYSA-N 467.524 2.794 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705559247 VVXVVSTWHAWRBT-JOCHJYFZSA-N 485.654 2.683 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705567391 VWFCJWJHKCIUPX-RTWAWAEBSA-N 472.611 2.706 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1705674431 IYYHKHTVWRJBCA-PQNGQFLHSA-N 455.628 2.784 30 10 JFEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705784003 DKLTZGVOGZGYME-HXUWFJFHSA-N 485.702 2.946 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1705937580 YDYRLVMUGWRIMP-UHFFFAOYSA-N 492.605 2.784 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939387 WRIVITVQZYVQOB-XMSQKQJNSA-N 464.588 2.506 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1705943916 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461.588 2.665 30 10 JFEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1359126932 CVUZMMJPAXGHPA-WBVHZDCISA-N 450.584 2.934 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359285458 IYFBUORASWDMQV-LJQANCHMSA-N 468.602 2.671 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](COCC)C1 1359300675 IHUZTAYDGWRILM-SFHVURJKSA-N 476.622 2.558 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359329161 ADLQTOPTQFEMEX-IBGZPJMESA-N 482.610 2.589 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2ccco2)C1)S(C)(=O)=O 1502180225 HBGOSULZZBXUFF-NRFANRHFSA-N 484.582 2.659 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507569605 GQSREJPGNVIBOQ-HXUWFJFHSA-N 471.606 2.673 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCN(C(C)C)CC1 1507619001 WIQJBSCQWSJGTN-UHFFFAOYSA-N 476.419 2.924 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1507626505 APDLMPJMALTSGL-SFHVURJKSA-N 464.035 2.957 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507628060 MWKYVCRBSXNWTB-FQEVSTJZSA-N 464.035 2.956 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507641173 ZHOJCNUFJHRQCR-BWKNWUBXSA-N 486.638 2.916 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1507642001 NSVZHBLPCTUKSK-LSYYVWMOSA-N 491.636 2.773 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CC=CCC1 1507650325 HZOZDGNYAUWAHY-OAQYLSRUSA-N 452.603 2.727 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1507667348 MCSOTYRWTSTTFR-UHFFFAOYSA-N 487.589 2.789 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)c1 1507764217 KDFXCKQBGHDQQR-CJFMBICVSA-N 453.587 2.879 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 1507954970 SUQCNYKGEXOKRJ-MOPGFXCFSA-N 465.595 2.794 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507957710 JTIFXNUUCVHXTD-IRXDYDNUSA-N 477.407 2.886 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1508005679 UORVGQJKFFLPOD-UHFFFAOYSA-N 497.394 2.917 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508075425 WWHOEMQEWWJIOM-INIZCTEOSA-N 460.369 2.731 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1508104016 GCSXRDHESFYLJT-QFUCXCTJSA-N 475.615 2.507 30 10 JFEE C#CC[C@]1(C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)CCCN1C(=O)OC(C)(C)C 1526635507 YQRUVTCULYPXDE-OAQYLSRUSA-N 451.545 2.798 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1539003921 RFJMXQQNAPTNII-KRWDZBQOSA-N 463.586 2.828 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539219071 GPKVZTNWZDXNBP-YADHBBJMSA-N 473.618 2.509 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1539305027 MJFMYVVMGYSZIN-GMAHTHKFSA-N 481.622 2.640 30 10 JFEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c2)CC1 1539315944 AHFRQQDLNJCBNA-IBGZPJMESA-N 453.008 2.821 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539396166 LJIPXKGTEHFSPD-SQJMNOBHSA-N 467.570 2.571 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539430410 JNLONULCKDIQMJ-QFIPXVFZSA-N 478.519 2.536 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN2CCC[C@@H]2C)CC1 1539436674 YSGDMCZDRVUCFQ-NRFANRHFSA-N 466.630 2.980 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)NC2CCCCC2)CC1 1539463152 VMFZCKVGPQZKAX-NRFANRHFSA-N 499.660 2.554 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1539483007 QVVKJIWHZJSUFM-IBGZPJMESA-N 481.494 2.941 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539617531 XACIRQBHSYFNFD-UYAOXDASSA-N 474.650 2.872 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1539666225 RIPYMRSJSKBXBV-UHFFFAOYSA-N 493.612 2.716 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(OC)CCOC1 1540119908 HAMLDVYFEDUZOX-RUZDIDTESA-N 473.537 2.795 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540120724 VIJVEZXMOWMGDB-FQEVSTJZSA-N 484.626 2.766 30 10 JFEE C=CCNC(=O)Nc1ccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)cc1 1540674538 XHFFSBDKUUXUHK-UHFFFAOYSA-N 451.527 2.887 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540854756 BRUPTAMOBGGQJY-IBGZPJMESA-N 467.389 2.917 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC[C@H](C)C2)cc1 1540878215 RGSJBUDCHVCCAF-UGKGYDQZSA-N 489.642 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1540900988 PFDQYLIHMRKZFD-LJQANCHMSA-N 482.610 2.665 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540908857 PRMHIMXDUKWKCH-FPOVZHCZSA-N 473.643 2.693 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540911524 ZKGHDUUWCTULIA-HXUWFJFHSA-N 488.639 2.579 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)(F)F)[C@@H](C)C1 1540997665 GEXJELVZNYSPAS-HNNXBMFYSA-N 466.464 2.712 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)C1 1541991594 FLJRKAPGKPXJPM-IBGZPJMESA-N 454.428 2.805 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)CC1 1545710439 AZGIEWMEOMRHPA-SIBVEZHUSA-N 479.629 2.669 30 10 JFEE C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1546028377 FCGDHEOGKLIGSG-OPAMFIHVSA-N 459.543 2.726 30 10 JFEE CNC(=O)[C@H]1CN(C(=O)c2ccc3nc[nH]c3c2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367877 TWBKDEXXILFMGL-LJQANCHMSA-N 456.428 2.530 30 10 JFEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccc(F)c1 1548375417 LHEJGOQOAMSBNW-LJQANCHMSA-N 484.475 2.684 30 10 JFEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)CC1 1555210026 FIJVRMLLCXRRJN-UHFFFAOYSA-N 462.501 2.505 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC2CC2)C1 1555983960 HRZGTTFRKMGBDA-QGZVFWFLSA-N 453.341 2.737 30 10 JFEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCc1cccc(Br)c1 1556801312 DNOMEMGKLBVYCD-CQSZACIVSA-N 450.358 2.689 30 10 JFEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCc2ccc(C#N)cc21 1559720251 HXKXCZJBZUIMPQ-UHFFFAOYSA-N 454.552 2.743 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1 1568461612 NRLSIATZTDKPHZ-HSZRJFAPSA-N 457.552 2.682 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1586746261 AQPHUMDYSCCYRI-FUHWJXTLSA-N 451.951 2.818 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccc(C)s1 1587599415 MYKWQRHJZQVXST-CYBMUJFWSA-N 465.004 2.800 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1588029603 JKSZDLUKPWDLIF-WIYYLYMNSA-N 452.584 2.652 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1588040128 IMHOBKNLUVOKLV-WOJBJXKFSA-N 491.061 2.885 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1588049179 BHQISYDVVKBSCM-QGZVFWFLSA-N 456.597 2.595 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588068829 AELHNLOQNYTSFV-QUCCMNQESA-N 497.646 2.700 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCCC2)CC1 1588733272 QAXHSCDAOJRJOO-HXUWFJFHSA-N 463.630 2.634 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2occc2C)CC1 1588955237 SGWAPRXLLYYZEK-UHFFFAOYSA-N 461.566 2.987 30 10 JFEE C=C(Br)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589460488 QOVQCLATLZUHNZ-IBGZPJMESA-N 491.452 2.631 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1593741834 YPVJHAWDDCUYPN-QFIPXVFZSA-N 457.623 2.785 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1593885558 NTJLLJBYHMRGEX-HNNXBMFYSA-N 481.962 2.889 30 10 JFEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1)c1ccccc1 1594534673 NKPWEDMIUFICAV-MJGOQNOKSA-N 482.610 2.912 30 10 JFEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1594752861 SCAOSXKDYOFINU-UHFFFAOYSA-N 486.686 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459.472 2.741 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@](C)(O)CCOC 1286301144 IPNLOMQIXLHZAE-MGPUTAFESA-N 451.365 2.865 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286302203 RMZXGQVLYJMMLN-WIYYLYMNSA-N 473.021 2.911 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(CC)CCOCC2)c1 1286309289 JJYXJXAUBBQHBW-UHFFFAOYSA-N 461.570 2.942 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(c2ccncc2)CC1 1286376878 PNRBDODNUPKHII-JOCHJYFZSA-N 495.628 2.968 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1286388173 LOWHBPFCTIAWOM-KRWDZBQOSA-N 488.976 2.705 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN(C)C(=O)OC(C)(C)C 1286411370 RBIWQFKYMRGFHQ-UHFFFAOYSA-N 461.570 2.846 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1286438384 YUVWOXIWSPGJRD-AREMUKBSSA-N 451.615 2.877 30 10 JFEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286712601 DRXVESNHPCNELA-YKSBVNFPSA-N 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30 10 JFEE C=CCCn1cc(CNS(=O)(=O)c2cc(Br)cc(Br)c2)nn1 1309750434 RKEVAKCVSZVIHU-UHFFFAOYSA-N 450.156 2.858 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1314547050 BQZYUPMDANGASG-UHFFFAOYSA-N 494.568 2.682 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 1358929960 LKDTVYAZPWZYBG-UNMCSNQZSA-N 472.611 2.788 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1358965304 RWTJMWBFPBHFAT-NRFANRHFSA-N 474.602 2.984 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCc1ccc(OCC(F)(F)F)nc1 1358980598 BUBQNXKNOBYEQW-UHFFFAOYSA-N 454.456 2.916 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2ccccc2F)CC1 1359030567 YRMUNKKJSXFUAK-CJFMBICVSA-N 471.577 2.681 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1359033925 WHIBHHKWSBJESA-FQEVSTJZSA-N 468.602 2.870 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC(C)(C)C(=O)NCC)CC1 1359043388 SANZGGYHBXIVDF-UHFFFAOYSA-N 487.608 2.621 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359050515 SZHYCJGNGZVBOL-SJLPKXTDSA-N 476.672 2.774 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1359064172 NAFYZLPUTNALMV-NHCICSSKSA-N 470.643 2.545 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1359187157 DERMRXTVLGMTKS-KRWDZBQOSA-N 463.586 2.886 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1359258324 NEBHVBMYFANWHT-UHFFFAOYSA-N 484.651 2.911 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C(=O)NCCC)CC1 1359294822 GGXHTGQWPYWORI-UHFFFAOYSA-N 495.447 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359328646 KJODKKDGDVEJRA-UHFFFAOYSA-N 460.478 2.795 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@@H](C)C1 1359329544 MCPTUDYTWPIRLR-HNNXBMFYSA-N 452.602 2.505 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)C1 1359362924 HSWIRDDXCNPSOD-FPOVZHCZSA-N 486.667 2.882 30 10 JFEE C=C(C)Cn1c(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)nnc1-c1ccncc1 1458998949 RTXKFZGMRDGZNQ-UHFFFAOYSA-N 458.569 2.603 30 10 JFEE C#CCn1ccc(CN(CC)CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)n1 1460046824 HKJBKAPKBABHSF-UHFFFAOYSA-N 454.527 2.949 30 10 JFEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1471032421 COYCDANSGHRVBY-GOSISDBHSA-N 452.515 2.591 30 10 JFEE N#CCc1ccc(S(=O)(=O)NCc2ccc(Br)cc2N2CCOCC2)cc1 1475082724 CTFWKTGBZHZDCO-UHFFFAOYSA-N 450.358 2.830 30 10 JFEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1)OC 1504592996 BSVFCCBBLAREMV-JLSDUUJJSA-N 469.464 2.546 30 10 JFEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1505143125 AWHZHSXKUBCURV-UHFFFAOYSA-N 484.626 2.527 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507628777 IHKKOXHIPGIZSQ-NRFANRHFSA-N 472.659 2.565 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1507635613 UKUWSOSOARCSFQ-RHSMWYFYSA-N 476.653 2.521 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507743770 CRSWHHPFGOJRJS-UHFFFAOYSA-N 462.579 2.678 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCS(C)(=O)=O 1507806191 MCECAYPVZOVHKI-DENIHFKCSA-N 462.616 2.936 30 10 JFEE C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507829694 JMWFMHIEXOHTOH-FGTMMUONSA-N 465.620 2.638 30 10 JFEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1)C1CC1 1507990419 GHIISQHOHPUXPT-UHFFFAOYSA-N 463.991 2.594 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)C 1508005128 UGWAQVRUKGCQGD-UHFFFAOYSA-N 450.543 2.971 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1508084801 PSIAKTAFWUGKLP-FQEVSTJZSA-N 484.507 2.745 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC2CCC(C)CC2)CC1 1508098181 XPVAOZSEVPSANQ-XKXWHVAQSA-N 475.634 2.868 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C1 1508113743 HYHOHTBKELXKIT-INIZCTEOSA-N 461.368 2.509 30 10 JFEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)N1CCOCC1 1508712692 AMCNSHTVHXYDMV-SFHVURJKSA-N 464.492 2.695 30 10 JFEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1515056082 BHYLJDRTWHJUPL-UHFFFAOYSA-N 478.626 2.820 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1515443719 IAJDGQWJRGNKPN-HXUWFJFHSA-N 487.626 2.827 30 10 JFEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)CC(F)(F)F 1517310654 CXYOOUQTCVXISZ-RTBURBONSA-N 464.492 2.695 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2ccnn2)C1 1521055814 HVONIFNSNQUFCF-SFHVURJKSA-N 463.290 2.970 30 10 JFEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)[C@H]1CCCc2ccccc21 1536280425 WIVUKLVYLPEREL-NRFANRHFSA-N 452.532 2.631 30 10 JFEE C#CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1536685581 BHJXVDVKWBPTKL-UHFFFAOYSA-N 452.882 2.526 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1539038294 NSNYTEXCVASZHO-YTQUADARSA-N 487.626 2.959 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC1(N2CCCC2)CCOCC1 1539196703 UXUKUMSKBZEXQM-UHFFFAOYSA-N 453.587 2.970 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539210224 CAQWADOSHKHPEL-NRFANRHFSA-N 495.605 2.617 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1OC)N1CCCC1 1539291132 MKVFYLLMNZQYTE-JOCHJYFZSA-N 462.598 2.725 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCS1(=O)=O 1539298788 AMEQWUQUTVKXSF-UHFFFAOYSA-N 494.646 2.875 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCN2CC)CC1 1539441064 JVTDDUVSWYIRJZ-GOSISDBHSA-N 457.420 2.947 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](Cc2ccccc2)OC)CC1 1539475703 MZKUCPLBOJFPSX-JOCHJYFZSA-N 458.566 2.564 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1539500662 ZGMXBFRRJIFZSD-OAHLLOKOSA-N 462.373 2.811 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539628306 OWRWLFMSJOSPDT-WDSOQIARSA-N 457.579 2.763 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1539744265 HBCAIWPUQACXRT-UNMCSNQZSA-N 452.603 2.923 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NCC)CC1 1539906514 PWDPVKKGVZEUMM-UHFFFAOYSA-N 474.631 2.802 30 10 JFEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539974296 OGXOQHNRLOTZSR-UHFFFAOYSA-N 462.602 2.922 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1540004654 DCTFYKIONCDHIS-LJQANCHMSA-N 451.637 2.621 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1540853411 HENQETWAPDANBO-UHFFFAOYSA-N 469.908 2.866 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540863467 XAFWPHHECJPCKI-QGZVFWFLSA-N 488.564 2.917 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540867114 KYGSPQHYKLFDRS-CEXWTWQISA-N 455.559 2.516 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1540872777 ZZKODKSOKRCUGJ-UHFFFAOYSA-N 458.994 2.519 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1540879334 ADFUBFNTYDXSBP-GOSISDBHSA-N 475.615 2.651 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1540897859 UOSOFUKGRYSVLE-QGZVFWFLSA-N 455.588 2.671 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540900986 PEZLDBQLRIGRGF-UHFFFAOYSA-N 495.049 2.829 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCN(C(C)(C)C)CC1 1540907404 VQEUCEQUFRVGIG-UHFFFAOYSA-N 459.660 2.975 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3ccccc3)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1540909054 WCBIPFYILXDBLO-IZIIKQMZSA-N 474.627 2.913 30 10 JFEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C(F)(F)F)C2)cnn1C 1542117860 BGMYRJIAKGRZCA-IFXJQAMLSA-N 475.475 2.975 30 10 JFEE CCN(CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1547576718 GAIBXZADHCKBBB-ROUUACIJSA-N 497.666 2.760 30 10 JFEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1555832982 HVXGNRJHSWLGDO-KRWDZBQOSA-N 480.598 2.625 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1587639838 NLAGIWHTTBEGOG-BJLQDIEVSA-N 458.607 2.529 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCOC)CC1 1587766528 WNIYRSBZUKODFQ-UHFFFAOYSA-N 474.650 2.965 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C 1587990151 SYZMODUIJWNHGA-ZWKOTPCHSA-N 492.621 2.959 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1588045050 GEMUEAWLKBOITM-MRXNPFEDSA-N 492.424 2.839 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588045544 MLMUKMGJEBFDRO-IBGZPJMESA-N 471.558 2.519 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588053997 JPSTXPYWSMZWDP-LEWJYISDSA-N 478.659 2.786 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588059587 QOHKNVVQHMLMGC-OALUTQOASA-N 491.608 2.648 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)C(=O)OC(C)(C)C 1588128294 HHIJMUCLHULMRS-UHFFFAOYSA-N 461.526 2.534 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)C(=O)OC(C)(C)C 1588214179 KYQKSDBZGNMTGN-UHFFFAOYSA-N 499.641 2.568 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCCCC2 1588473028 KLABZQAHJSLWOP-UHFFFAOYSA-N 464.549 2.561 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1588629081 WVMKQAXEUGGSKX-HXUWFJFHSA-N 477.613 2.806 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1588762588 LXRPRMGUHOFOLI-WMZHIEFXSA-N 451.571 2.699 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1588768584 HQYWPJLFKVVQAB-QFIPXVFZSA-N 463.586 2.733 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CCCO2)CC1 1588812666 SMZGAGCSYPUWRN-NBGIEHNGSA-N 472.634 2.717 30 10 JFEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1588864583 GSBYTADLGJYKJJ-UHFFFAOYSA-N 464.614 2.569 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C(N)=O)CCCC2)CC1 1588908276 MSBRTCMEHNTKJP-UHFFFAOYSA-N 499.015 2.619 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1588929945 JLQIKQMHLFCFRH-MJGOQNOKSA-N 471.989 2.869 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1588984650 ILVKDZMKHQAIGP-FUHWJXTLSA-N 475.018 2.994 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589117340 YECBJMPZQNWNIH-SFHVURJKSA-N 473.599 2.899 30 10 JFEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)C1 1594807598 UAGUMFSQIVAJIP-INIZCTEOSA-N 450.634 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1595777873 SCVIWIGUEZYDLH-WMZOPIPTSA-N 464.588 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1595799363 ZFGIDJXBKKXSOP-YFVAEKQCSA-N 478.590 2.878 30 10 JFEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1)C(F)(F)F 1611647336 BMVOMKYXFLVWOH-VQIMIIECSA-N 496.559 2.857 30 10 JFEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)N1CCC[C@@H](C)C1 1612777874 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453.547 2.699 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1359332787 HCJLBPNUZSLESD-KRWDZBQOSA-N 451.568 2.659 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccs1 1359342692 CTUSOYFOCTXDQG-IAGOWNOFSA-N 483.685 2.933 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cc(F)cc(C#N)c3)CC2=O)cc1 1438459879 CJXWXMYEBHZFMO-INIZCTEOSA-N 458.515 2.719 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)n1 1442966739 UXFUOFJVXOWSCH-HNNXBMFYSA-N 454.581 2.901 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)s1 1456608284 OPKTYEALPMODJZ-HNNXBMFYSA-N 457.618 2.518 30 10 JFEE C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1464378767 DIWKSGZNNHNAHN-VQTJNVASSA-N 452.573 2.853 30 10 JFEE COC(=O)COc1ccc(CN(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 1475213923 APELEFYHWRMCFE-UHFFFAOYSA-N 453.314 2.693 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1496248222 HFMXLQHHFDLVLA-IBGZPJMESA-N 475.601 2.572 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492.624 2.550 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539513014 HKJTYYSCJYIEGP-HOYKHHGWSA-N 488.658 2.618 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1539520753 WMKBPMXZEWHXII-UHFFFAOYSA-N 461.570 2.968 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NCC)CC1 1539622809 YDGSDKFOEIFAQV-YJBOKZPZSA-N 492.422 2.868 30 10 JFEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1539811410 AWIXLKRTKJJMBR-UHFFFAOYSA-N 463.007 2.922 30 10 JFEE C=CCC(C)(C)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539929297 RMGGTDJSMRFXHD-AVRDEDQJSA-N 454.637 2.934 30 10 JFEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O)C1CC1 1540113650 AMAQTPWDLWHPEI-UHFFFAOYSA-N 455.378 2.819 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2NC(=O)CC2(C)C)C1 1540897052 ZHBBFDDWJSPLQL-ZSYWTGECSA-N 488.633 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540898140 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C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1690380800 VCMQKMDWDPDHJG-QGZVFWFLSA-N 480.585 2.782 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1690520093 JGXXCIAULVQTPU-UHFFFAOYSA-N 459.547 2.878 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCCN(C(C)C)CC1 1690663412 VTPDAFKYRTYCDA-UHFFFAOYSA-N 467.437 2.992 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690727212 XGOAORHMVCKIGW-GOSISDBHSA-N 467.636 2.525 30 10 JFEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1693875435 FZLKVLQJTWKKAQ-NBCNXNJRSA-N 495.502 2.816 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(Cl)cn2)c1 1705504122 NJRIBUIFJGFLDK-DEOSSOPVSA-N 497.987 2.537 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705556771 GJTOQAWFARKNNH-LJQANCHMSA-N 459.616 2.648 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1705560761 KDPAQLHCRAZCJH-SFHVURJKSA-N 471.564 2.784 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1705568668 SNWWPSVPEPLFNZ-LJQANCHMSA-N 486.619 2.911 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1705571411 ZHIOKMKAGUEQIK-QHCPKHFHSA-N 493.633 2.974 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1705596174 VTHSICHEKYBCGK-UHFFFAOYSA-N 497.607 2.923 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1705618813 VQFDICDNLOOTCU-QDSKXPNFSA-N 467.614 2.731 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2cccs2)CC1 1705634390 UHYXFIZFKNWZIL-FQEVSTJZSA-N 475.416 2.760 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1705641557 KDKADLPJPFMQHX-UHFFFAOYSA-N 494.684 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2c(C)noc2C)CC1 1705650442 RROAPRAKAOKRLF-UHFFFAOYSA-N 482.535 2.960 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCCCC2)CC1 1705651237 OTYMAOGZETYABJ-UHFFFAOYSA-N 482.604 2.838 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCS(=O)(=O)CC 1705654762 SKQVAELFGAXBMV-UHFFFAOYSA-N 471.446 2.945 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1705725780 QNYFFNZEOMALOP-KRWDZBQOSA-N 467.636 2.982 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H](C)C1 1705858606 ZOXIQYCYORKFGW-WFXMLNOXSA-N 472.615 2.768 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1705911463 IRWXDXGHWOJJID-GHTZIAJQSA-N 475.615 2.603 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705938987 OPVVPEVDIBOAKK-LJQANCHMSA-N 468.627 2.923 30 10 JFEE CC1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1708141291 AKHDCNNRJIWZQQ-UHFFFAOYSA-N 456.616 2.562 30 10 JFEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC)C2)CCCC1 1710496880 DMZQNAQUSZSEMX-OAQYLSRUSA-N 455.559 2.930 30 10 JFEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCC1 1712685302 BCYGEAVDDOSCDF-UHFFFAOYSA-N 483.516 2.678 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(Cl)ccc2s1 1722279634 UDCTYEWAJSFRGH-NEPJUHHUSA-N 452.993 2.658 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722340980 OLKVCCQEAYQPBV-BGYRXZFFSA-N 485.633 2.800 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722362364 NJMBGAIUUQEFPW-HNNXBMFYSA-N 470.473 2.643 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722369548 ASLXMBAHACSQDQ-GOSISDBHSA-N 474.583 2.927 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722397233 PYLPXHLEICFIFK-GGAORHGYSA-N 483.613 2.675 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(C)CCCO2)CC1 1722440840 LNASGAHPPQNWKC-AREMUKBSSA-N 478.597 2.682 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CC(OCC)C2)CC1 1722442692 ZASXRKOQGKBXEQ-UHFFFAOYSA-N 494.423 2.849 30 10 JFEE C#CCSCCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1722464056 TZJZRPIJJAVQGL-UHFFFAOYSA-N 461.657 2.843 30 10 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30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740628863 VNDMUDNUPXQECS-CYFREDJKSA-N 490.601 2.564 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740654171 FKXHCAWIFAHRAG-JOCHJYFZSA-N 484.608 2.841 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(OCC)c2)CC1 1740692441 KPXMHZWEEKRPKZ-RUZDIDTESA-N 453.587 2.521 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1740698161 POQJOFXVJDVQSO-UHFFFAOYSA-N 471.609 2.549 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)COc2ccccc2OC)CC1 1740704519 PJECYMFGOHYKSW-FQEVSTJZSA-N 490.608 2.973 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCC=C)cc2)CC1 1740707327 YKWQIFACRDSIDP-UHFFFAOYSA-N 470.577 2.843 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1740708389 NXPYTPPAWXHYKR-SFHVURJKSA-N 451.571 2.673 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(C)=O)C1 1740753016 DUETZEMCFMAHNU-DYXWJJEUSA-N 454.531 2.939 30 10 JFEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740780288 CKVOWXCYCOLDOF-UHFFFAOYSA-N 476.006 2.727 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1740794696 GNJJJNBJKISNLO-GOTSBHOMSA-N 487.670 2.874 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740849281 DNRQAICQKWYHQZ-OAQYLSRUSA-N 451.619 2.609 30 10 JFEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740884408 ZWIBUGYMXKXUDX-LJQANCHMSA-N 492.418 2.950 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1740935862 ZBIGKLDPHWDKKD-NRFANRHFSA-N 457.644 2.900 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1740937576 JQIUSVLHZFMHLH-FQEVSTJZSA-N 491.639 2.857 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740951699 LPTHPRBWUJBRLX-FQEVSTJZSA-N 497.003 2.510 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(c2nccs2)CC1 1740963758 WKDKUEKKEQTWAO-UHFFFAOYSA-N 481.626 2.949 30 10 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ncccc2N(C)C)c1 1507550855 QVCZAIZKEGYRCJ-HXUWFJFHSA-N 473.581 2.738 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1507605909 YJCHRBULHZQOLA-ZEQKJWHPSA-N 467.614 2.679 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507628860 YULAIMVMNCYGCU-HZPDHXFCSA-N 475.571 2.689 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1507633090 CJQMONGWPZZHLM-YADHBBJMSA-N 487.645 2.899 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCSCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507635718 UVWXHLPKBCSLOH-NRFANRHFSA-N 499.637 2.963 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(-n2cncn2)nc1 1507643461 VZJSCQFRVYMQLA-SFHVURJKSA-N 456.485 2.654 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)N1CCN(CC)CC1 1507644790 OHMUJOHUWRSPEH-SFHVURJKSA-N 487.421 2.946 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCC(C)CC1 1507652730 IOAGTDHRWGLOKK-FCHUYYIVSA-N 484.645 2.780 30 10 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JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1301587061 LTRFCVDPFSUWGX-QFIPXVFZSA-N 467.595 2.913 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCSC(F)(F)F 1303402314 IESADZXRPYVFEE-UHFFFAOYSA-N 498.535 2.733 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)C1 1303932966 CZERJTMLRDKKCF-VFNWGFHPSA-N 465.526 2.667 30 10 JFEE Cn1c(SCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)nnc1-c1ccccn1 1307313953 DZTNCESRUCIORQ-IBGZPJMESA-N 451.531 2.517 30 10 JFEE CN(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1314654754 HJTKSRDMUZTPOD-XLIONFOSSA-N 453.497 2.574 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)c(OC)c1OC 1358896861 NRNAJYNYASARBP-OAHLLOKOSA-N 469.567 2.802 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1358924257 QORDBIHNKJCAJL-RDJZCZTQSA-N 458.360 2.844 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358957038 OSKLZZFCOOPPQN-VXKWHMMOSA-N 455.628 2.543 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358957065 PCTBLRNVSNCYLM-ZRBLBEILSA-N 469.655 2.787 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccco1 1358999501 TZQXSLFGGRPNIB-KDURUIRLSA-N 480.569 2.535 30 10 JFEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(CC)CC)N1CCOCC1 1359007249 BCESGAFOJLOVIA-HXUWFJFHSA-N 456.591 2.602 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1359013187 NZFQWPCWADJDHE-INIZCTEOSA-N 460.604 2.890 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCSC1 1359015010 DZIQWEQGMNTJCI-WMZOPIPTSA-N 465.620 2.810 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOCC2CCOCC2)CC1 1359033094 PELYKQJTFPGCPA-UHFFFAOYSA-N 453.587 2.542 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1359043715 FLEWBUMQWYALMA-GOSISDBHSA-N 483.617 2.742 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1359046406 QOJQRIACRPOLKX-UHFFFAOYSA-N 483.498 2.692 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1359111784 NBABCJPYCCZWKX-UHFFFAOYSA-N 493.612 2.920 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1359121848 KZIZJCVPEZDINT-MRXNPFEDSA-N 479.006 2.660 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1359173693 LZHACBBGVSUVQL-QVKFZJNVSA-N 468.023 2.852 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359294520 WICNCDNORIOHRD-UHFFFAOYSA-N 455.950 2.947 30 10 JFEE CC(C)(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCn1cc(CO)nn1 1359531047 AHQZVLOXGFAKLQ-UHFFFAOYSA-N 478.601 2.960 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)CC2)cc1 1459747746 ICBYVIUGGDITNT-HSZRJFAPSA-N 451.548 2.965 30 10 JFEE C#CCCN1CCC(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)CC1 1465396769 PUVJOJQSDOBZMN-UHFFFAOYSA-N 451.523 2.879 30 10 JFEE CSC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1505155016 DLARFIFZYJZCMG-RBUKOAKNSA-N 475.640 2.771 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ncccc2Cl)cc1 1505319620 DFHWBXCRPXSYNY-GOSISDBHSA-N 465.901 2.585 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1507517389 PTNUGJYZYWKEDV-HOIFWPIMSA-N 481.018 2.696 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507595544 RSBWBTLOBWBJLK-UHFFFAOYSA-N 488.596 2.909 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nc2c(s1)CCCC2 1507606118 AHTYUICQVQQGMQ-UHFFFAOYSA-N 455.609 2.996 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1507622769 LQRAIMDNLCVRKV-KSFYIVLOSA-N 465.019 2.763 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1507629914 QTBSPLSJAYXUHO-QZTJIDSGSA-N 462.666 2.729 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1507633083 CJQMONGWPZZHLM-FGZHOGPDSA-N 487.645 2.899 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1507634097 IWXAKLXOGZXIST-SFHVURJKSA-N 461.638 2.679 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCC(C)CC1 1507644203 CQQLQGQTGPKACY-UHFFFAOYSA-N 467.639 2.934 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cccnc1N1CCOCC1 1507664630 NSRZMBIMEFZVFI-UHFFFAOYSA-N 486.576 2.705 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCCn1cc(CO)nn1 1507700631 RUSBHVMKERMDRH-UHFFFAOYSA-N 460.517 2.602 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CC1 1507721718 LLIAZRRJCZFEOP-KNQAVFIVSA-N 457.550 2.508 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507757322 RXRSUKYDWLZLAM-QHCPKHFHSA-N 459.591 2.664 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCC(N)=O)CC1 1507776975 BGJPFMAFMUSCGD-UHFFFAOYSA-N 496.431 2.739 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507796411 OZEBZAOKQAFRJQ-XLIONFOSSA-N 495.049 2.883 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507828047 QASIFPLVJSZCDO-GOSISDBHSA-N 468.558 2.791 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507921133 QZDLFXCYENJXPA-BDTNDASRSA-N 460.667 2.821 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O 1508008948 SJYMLEMVUOJYOS-UHFFFAOYSA-N 468.558 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508133932 POFFDTVOOWPOCW-MRXNPFEDSA-N 465.576 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1508143011 WAKGPRNAHNWDEG-RTBURBONSA-N 476.574 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1508143490 ZMHBHNHRNOISLS-YMPZKCBVSA-N 487.670 2.872 30 10 JFEE C[C@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1512157266 DEUGLKAQUSLFEW-GHTZIAJQSA-N 456.616 2.705 30 10 JFEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1516649037 BPZMMUJLTLCEJH-IRLDBZIGSA-N 451.619 2.706 30 10 JFEE N#Cc1ccccc1Sc1ccccc1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1531641075 GOBATFHOKKHGES-GOSISDBHSA-N 459.593 2.928 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)ccc1F 1538809124 MBEVBDSEJGXBMP-QGZVFWFLSA-N 455.552 2.665 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(CCN(C)C)CC1 1538964652 KGJWADJYBOQFKC-LJQANCHMSA-N 486.064 2.593 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1538982858 KGLBAPOHAKDXCK-QAPCUYQASA-N 466.464 2.964 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2snnc2C)c1 1539040479 UHXOPOMHUFQLLB-UHFFFAOYSA-N 458.551 2.913 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1539216952 YENFYCQQVRNYMB-KRWDZBQOSA-N 459.959 2.610 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1539226308 XIBKGGRFZZOIMP-IBGZPJMESA-N 485.997 2.601 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1539257427 JKNXONPLCZIQSX-UHFFFAOYSA-N 472.578 2.711 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)OCCc2sccc21 1539291498 RNZZRUZRNPNDOZ-DEOSSOPVSA-N 460.563 2.938 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1539436615 XHKSWXLOXOCQDP-NHCUHLMSSA-N 466.630 2.838 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Br)ccc2OC)CC1 1539446865 KTSADOLGLGWUDB-QGZVFWFLSA-N 474.403 2.747 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539499032 BSSAGERWZSXVDZ-KRWDZBQOSA-N 475.416 2.630 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539518343 YEKDLCKHXBEIOY-YADHBBJMSA-N 483.663 2.877 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539525979 AQKJJPHAJKRUHE-HSZRJFAPSA-N 471.583 2.653 30 10 JFEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1539811594 FPZXPINSCDRJAJ-IAGOWNOFSA-N 465.023 2.569 30 10 JFEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1540039977 LLHFCSQYYQURJM-MRXNPFEDSA-N 478.391 2.879 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540866114 CLUXCYFWARVTMA-OAHLLOKOSA-N 459.856 2.677 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876112 HUICXGYJCWWQHX-HDICACEKSA-N 470.574 2.693 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1540887129 QIYFNFBBUXQVAG-PKOBYXMFSA-N 476.599 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc(OCC)cc2C1 1540903126 YXSFSWRYTSPQAZ-LJQANCHMSA-N 460.600 2.734 30 10 JFEE CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1541209234 CAVZLIUOIQOJAG-HXUWFJFHSA-N 468.558 2.726 30 10 JFEE CN(C)c1nc(N)nc(COc2cccc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)c2)n1 1542787126 FDQPNHJWOZXLDH-HXUWFJFHSA-N 458.526 2.578 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@](C)(O)c1ccccc1 1587969612 BKYVFEFTTFPKNN-HSZRJFAPSA-N 452.584 2.605 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CCc2ccccc2)C1 1588170696 MEJXORQAKRYHEP-DEOSSOPVSA-N 458.610 2.542 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCCN1CCN(CC)CC1 1588558903 AUMWONHUIMXZQY-HSZRJFAPSA-N 454.594 2.936 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCC[C@@H]1C 1588581040 DFVDHOMKIDYZJZ-YWZLYKJASA-N 450.381 2.683 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCSC2)CC1 1588947701 TZAGCMDVWTZITF-INIZCTEOSA-N 459.566 2.866 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1589589339 FTXKFZFPZYXOKL-UHFFFAOYSA-N 450.547 2.703 30 10 JFEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593610782 FMFLDOLIIAOMNJ-UHFFFAOYSA-N 487.402 2.555 30 10 JFEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1593735335 CYRSKXJJDNYFMP-GOSISDBHSA-N 479.585 2.928 30 10 JFEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(S(C)(=O)=O)CC2)CC1 1594144140 XKQBZLUMNCKMSO-CALCHBBNSA-N 465.620 2.782 30 10 JFEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1594590880 DPZNZNPEYYYJSS-UHFFFAOYSA-N 463.590 2.972 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1595239196 GNZWYVONSFPQFE-JOCHJYFZSA-N 485.610 2.796 30 10 JFEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595434828 WFVWAMKREUPIPA-UHFFFAOYSA-N 452.603 2.794 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(Cl)=C(Cl)C1 1595551851 WTYWLOHPVACENY-KRWDZBQOSA-N 450.326 2.992 30 10 JFEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1595871524 UMBAANLMEYZVRX-UHFFFAOYSA-N 472.640 2.724 30 10 JFEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1)C(C)C 1619006480 FRWYMIIRGQACJG-QFIPXVFZSA-N 454.575 2.752 30 10 JFEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)C1=O 1625609226 FIKFWYGJJQEODH-MRXNPFEDSA-N 455.328 2.675 30 10 JFEE N#Cc1ccc(N2CCC[C@@H](N3CCNC(=O)[C@@H]3c3ccccc3Br)C2=O)cc1 1642607187 BREXRDCNZGEEPU-UXHICEINSA-N 453.340 2.989 30 10 JFEE C=C(C)[C@H](NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)c1ccc(F)c(F)c1 1654206592 PMAZIOHLTCSHCC-NRFANRHFSA-N 454.477 2.545 30 10 JFEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)C1 1654975732 FINVPCAGQPEIQD-SFHVURJKSA-N 451.527 2.763 30 10 JFEE COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c2cncc(C#N)c2)c1 1663913477 DJSDAKWXRHBDKC-FQEVSTJZSA-N 458.540 2.945 30 10 JFEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br)C(=O)OC 1664950484 BNAOJIUMEHVHCV-LBPRGKRZSA-N 454.726 2.675 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 1671489798 BHORCLKGPVGDFC-CWRNSKLLSA-N 453.337 2.541 30 10 JFEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1689929730 CUWWVILFZXTCOB-OAQYLSRUSA-N 451.571 2.833 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689981939 DSHRDXGPRCDBAR-IMFGXOCKSA-N 457.556 2.916 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1689984435 PFNYNVXCCKXGPC-FQEVSTJZSA-N 499.568 2.562 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1689991906 DRTFBUVDNZDRFQ-BKMJKUGQSA-N 496.633 2.922 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(CC(F)(F)F)C1 1690104353 UNFUTZDWGUNXSA-PXNSSMCTSA-N 479.503 2.761 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1690150522 LCIKJBGNVAWOFC-UHFFFAOYSA-N 494.615 2.854 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1690235687 CEGKISUUWOTLEZ-VWQFJMCTSA-N 457.550 2.635 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690437431 CPUCWABAQBVQPZ-FQEVSTJZSA-N 485.677 2.572 30 10 JFEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1690503551 FWGRVZYBHDELLB-UHFFFAOYSA-N 470.599 2.604 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)c1cc(OC)cc(OC)c1 1690671542 YNAVJLZVCCUSGQ-UHFFFAOYSA-N 492.584 2.539 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(N2CCCCC2)CC1 1690677136 OOIFCIWLVMEOSM-UHFFFAOYSA-N 468.602 2.623 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccccc2F)C1 1690709959 NMLWPRYZVAOLOT-LJQANCHMSA-N 450.518 2.614 30 10 JFEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690749453 DHKGEVODINSDGH-UHFFFAOYSA-N 484.626 2.914 30 10 JFEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCSC(C)C)CCOC1 1696079882 FDCTZBNJNISUFQ-QHCPKHFHSA-N 471.631 2.665 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705496828 NVKLAXJKGOAUTF-AZUAARDMSA-N 460.586 2.836 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705633390 PXWPIGQTEAEKGJ-FQEVSTJZSA-N 482.604 2.961 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)c2cccs2)CC1 1705636269 DGROJCREDGSLTL-XMMPIXPASA-N 467.595 2.687 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1705652190 RWXDWBUXYAVQLU-QGZVFWFLSA-N 476.597 2.944 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705691776 OORKDRZYBCAHRA-HXUWFJFHSA-N 492.399 2.652 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705703220 RZCHJVMDFCFODZ-GHTZIAJQSA-N 453.653 2.708 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705710699 ZIARQAGMUYALJX-YWQGAKJTSA-N 470.570 2.507 30 10 JFEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705723925 HHLPOSRKRMKSFL-UHFFFAOYSA-N 455.588 2.567 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705735783 FPSDTUNDTTTZBQ-SFHVURJKSA-N 472.590 2.587 30 10 JFEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1705805738 NOMFHDVENUYCNA-OAQYLSRUSA-N 455.559 2.878 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1705843827 OWCBFYHVONSOMN-LJQANCHMSA-N 457.579 2.718 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1705866763 ZIRVFONRXUHEJB-UHFFFAOYSA-N 463.567 2.534 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705890219 DSTZDHNNQWUERY-LJQANCHMSA-N 498.632 2.976 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705896129 CDUDRKCKVDGAGG-UHFFFAOYSA-N 480.613 2.731 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1705903544 XUSIRBMPPMLEPV-MDNUFGMLSA-N 466.630 2.964 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705906357 BGDPXNMKDCZUFR-UHFFFAOYSA-N 479.566 2.814 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1705906598 JYDQNOPMJKUOGF-KRWDZBQOSA-N 478.391 2.783 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](CC)O[C@H](C)C1 1705938244 RWRGSHKCMMKZMK-SJORKVTESA-N 452.552 2.601 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705940994 VLJLJSOWUJSGTD-OAHLLOKOSA-N 480.436 2.521 30 10 JFEE CCN(CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)CCC(F)(F)F 1710143945 CNTJAAXYLOULLT-HXUWFJFHSA-N 455.529 2.918 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cccc(OC)c1 1722307033 YREXJTLVUSVZPM-RLLQIKCJSA-N 496.612 2.945 30 10 JFEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1722318244 XTGDRBQYRGPOBS-VWNXMTODSA-N 477.657 2.884 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722370937 SLZQMOBFCDNPIU-HXUWFJFHSA-N 497.596 2.996 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)C(=O)NCC)CC1 1722433893 GCPZRMYTDSOQKN-UHFFFAOYSA-N 458.994 2.525 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(=O)N1CCOCC1 1722546938 DSMHLBLEZALKMI-UHFFFAOYSA-N 472.746 2.894 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1722629953 QLNOENQYFXKGME-FQEVSTJZSA-N 458.584 2.772 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1)C1CC1 1722650761 KKNGZUGIIZMRQM-SFHVURJKSA-N 474.606 2.787 30 10 JFEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)CCC(C)C)c2ccccc2c1=O 1728641162 APCGIXNTVBIXIW-AVRWGWEMSA-N 479.585 2.591 30 10 JFEE CCOc1cc(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)ccc1OC 1728838846 CDSBCXPSHZSZBW-XMMPIXPASA-N 470.549 2.883 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC2(F)CCC2)c1 1740565212 NJXMSJZPCJLUHH-UHFFFAOYSA-N 452.534 2.739 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740622570 ZMWMZUXGEYUBRK-MHECFPHRSA-N 469.611 2.615 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625424 QMPAFHRQVXFMJN-HSZRJFAPSA-N 469.655 2.566 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC(=O)NC(C)C)CC1 1740702769 XFXLKYJYANDAHY-JOCHJYFZSA-N 464.614 2.701 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccco2)CC1 1740707867 TUXSLGFRQBNGLA-HHHXNRCGSA-N 491.592 2.940 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740722980 MBZLYEAMEZCBLS-QYZOEREBSA-N 488.658 2.679 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1740729750 LDOQYKVBLDNTEB-IQGLISFBSA-N 464.570 2.889 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCCCO 1740733513 HGSFCPCERHKEKQ-AREMUKBSSA-N 450.631 2.798 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740745991 BKKPFUPSCWQOJH-QGZVFWFLSA-N 493.406 2.902 30 10 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461.607 2.904 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](OC)C1CC1 1300666060 SHCVGEGFOFGKSF-VQTJNVASSA-N 461.607 2.904 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)CC)CC1 1300691339 VKTNSKWODCZJRR-HXUWFJFHSA-N 450.356 2.763 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300896897 LFQDMNSFILZJMZ-WRJGPDOXSA-N 488.633 2.732 30 10 JFEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1300997321 UEYOWGBDUCOHOD-UHFFFAOYSA-N 494.687 2.879 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1301251411 CUDZEKQCHBYCIY-LJQANCHMSA-N 476.622 2.905 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 1301521012 XIMXOIWMUGKJIV-ROUUACIJSA-N 476.622 2.904 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](CCOC)C1 1301578226 ZVUGCBFZHREIQW-SFHVURJKSA-N 455.584 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1301584461 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C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)c1ccc(OC)cc1 1358994782 WILQAKPPKQNMJV-CTNGQTDRSA-N 454.596 2.846 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2c[nH]c3cc(F)ccc23)CC1 1359027950 BLWHFJXKXWRWJM-UHFFFAOYSA-N 465.577 2.815 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(Cl)cccc2OC)CC1 1359038254 PDCNTBVRMDZMOB-UHFFFAOYSA-N 485.013 2.735 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1359064496 UKSZKNXWLFNWFD-WZONZLPQSA-N 490.699 2.854 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359080752 CKHHNQGOWVRSEV-UHFFFAOYSA-N 492.353 2.844 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359328812 OWLMGNWXXCIXNI-UHFFFAOYSA-N 498.012 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCOC2(CCCC2)C1 1359334543 JLBFQAOULUBVLD-UHFFFAOYSA-N 460.600 2.650 30 10 JFEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)n(C)c1 1459992731 HXZYRIGUAKMVTL-UHFFFAOYSA-N 454.556 2.883 30 10 JFEE 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C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](COC(C)C)C1 1507757557 ZZUQJRWYEFJIRC-FQEVSTJZSA-N 454.600 2.513 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1507818776 WXAXJZVIBQPBCX-UHFFFAOYSA-N 467.599 2.788 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1507936258 ZWCAZNIPYPDQDV-MSOLQXFVSA-N 457.666 2.545 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 1507954973 SUQCNYKGEXOKRJ-RTBURBONSA-N 465.595 2.794 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1508048522 SUZJFMOMWMZZSG-IBGZPJMESA-N 498.628 2.680 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1508049953 NXMFGHZZUDESQK-UHFFFAOYSA-N 457.380 2.966 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1CC(F)C1 1508139793 JKZKOGNIIYMBKL-UHFFFAOYSA-N 458.563 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1508147856 CTNSAISECNURGP-HNNXBMFYSA-N 485.031 2.824 30 10 JFEE 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485.560 2.890 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539417341 DPAYBYDXKPCWBZ-QGZVFWFLSA-N 453.484 2.978 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1539480580 CHJUBCAPHGOYLW-XZOQPEGZSA-N 482.604 2.928 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1539512426 CYRNZZVPLCQAEH-UHFFFAOYSA-N 450.568 2.724 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1539526422 JMVQHLHBLFEDLG-KRWDZBQOSA-N 485.589 2.937 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 1539613112 VLGWDRIQIMTUNJ-QZTJIDSGSA-N 459.620 2.571 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1539721850 IKFQTAXWFNKQOI-UHFFFAOYSA-N 484.004 2.958 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1539771977 BVQGOGFKFQQBKR-UHFFFAOYSA-N 462.957 2.589 30 10 JFEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1539940270 PKRWJPSMRXBYFX-WOJBJXKFSA-N 467.599 2.613 30 10 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C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1740962897 RSUJPZFPIFKKPZ-GOSISDBHSA-N 453.568 2.899 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1740963675 TXOLYFUFRGEOLI-UHFFFAOYSA-N 492.605 2.671 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1740968799 PAQLLGAWDCWMRK-UHFFFAOYSA-N 479.560 2.890 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccc(OC)c2)C1 1740981537 WDJLSMXPLKOELY-OAQYLSRUSA-N 462.554 2.868 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1740987753 YOETXPNHZMQMET-GJZGRUSLSA-N 468.421 2.739 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740989836 YXIHRFXLZPZPMT-IERDGZPVSA-N 466.991 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740992362 GABAGDVMZGHHCL-HXUWFJFHSA-N 474.627 2.552 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1740994562 TVWIDXVALUWRRJ-NRFANRHFSA-N 470.599 2.841 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1741003592 XVTSTUNTOVPNSI-ROUUACIJSA-N 489.733 2.642 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1748649580 QBRQOHWETIHFRR-KBPBESRZSA-N 467.389 2.609 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748810642 YZEGLCSLCGWFNT-QGZVFWFLSA-N 491.042 2.936 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCSCCCO)CC1 1748977983 GZUJRAQAEFUPQN-UHFFFAOYSA-N 464.433 2.578 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1748978862 QRHRKPFIGDJJKE-XMMPIXPASA-N 459.541 2.845 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCC[C@H](C)C2)CC1 1749003948 ZOSDXDCIJXHFQO-FQEVSTJZSA-N 464.614 2.651 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)SC)CC1 1749006513 QBTGUAJVQFSNEA-INIZCTEOSA-N 457.600 2.680 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)C2CC2)CC1 1749014857 POZQCGIEFMJRAZ-XMMPIXPASA-N 455.990 2.649 30 10 JFEE 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462.396 2.960 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1760481100 NBZTYAVUDGKCEO-HKUYNNGSSA-N 465.645 2.555 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1760481323 TVSICSCVBCKOCG-FQEVSTJZSA-N 473.624 2.913 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1760555741 LZFOWGKXHMYPDW-UHFFFAOYSA-N 477.606 2.616 30 10 JFEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCCC1 1762511042 AKDIZAKSTLWQIQ-UHFFFAOYSA-N 450.591 2.980 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1c(Cl)cccc1OC 1764919070 CGGRRWFOHHZKEX-HNNXBMFYSA-N 452.950 2.928 30 10 JFEE COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1769306656 FZJNCYHPHVCHFQ-UHFFFAOYSA-N 450.547 2.651 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1772567203 NRPUFCZPGUYLDW-WOJBJXKFSA-N 490.649 2.946 30 10 JFEE CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=NN=Cc3ccc([N+](=O)[O-])cc3)NC2=O)cc1 1772727161 ANKPVBXAGOHZTF-QGZVFWFLSA-N 469.479 2.722 30 10 JFEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862178317 HZNVPQMQCXJZSZ-QUCCMNQESA-N 455.555 2.702 30 10 JFEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc([N+](=O)[O-])c1 1862460456 LHHWTOJDXWETNJ-GOSISDBHSA-N 463.368 2.727 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F 1862641959 FFLQQKUSSSJVBM-OAQYLSRUSA-N 485.468 2.653 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1865226623 SDQLMBOIFMZSIE-MRXNPFEDSA-N 493.486 2.515 30 10 JFEE C=CCn1cc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)c(=O)cc1CN1CCOCC1 1870388914 RLDSYMVNIMZZRG-UHFFFAOYSA-N 461.946 2.854 30 10 JFEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870563578 HJCREVFNMWHABN-JOCHJYFZSA-N 458.942 2.586 30 10 JFEE COC(=O)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874222296 OLCQESWREYYVBM-ZMOGYAJESA-N 484.534 2.926 30 10 JFEE COC(=O)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccccc1C(=O)O 1874313559 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COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc1OC 21316954 WFVXGYAAMBTESW-ZVHZXABRSA-N 455.544 2.884 30 10 JFEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2cccc(Br)c2)n1N 21319512 QZZGIWJAGWGOFB-UFFVCSGVSA-N 476.360 2.940 30 10 JFEE O=C1/C(=N\NS(=O)(=O)c2ccc(F)cc2)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 59166810 ZLOKEFGOBQJIKO-ATJXCDBQSA-N 454.439 2.963 30 10 JFEE COc1ccccc1[C@@H]1/C(=C(/O)c2sc(C)nc2C)C(=O)C(=O)N1CCN1CCOCC1 102521287 NOZOZGHDAQLYTC-LAFOYAEKSA-N 457.552 2.522 30 10 JFEE COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)C[C@H]3C[C@@]123 103120651 VQNATVDKACXKTF-YDBLSZJJSA-N 477.473 2.802 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(OC)c(OC)c1 169948785 CIXLXJNKCKXJGT-OAQYLSRUSA-N 457.479 2.946 30 10 JFEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccccn2)c1 170353295 POLCXMCDRNQKMB-OAQYLSRUSA-N 479.514 2.911 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccncc2)c(OC)c1 170358978 VERJPCKMSWHRNJ-OAQYLSRUSA-N 495.513 2.529 30 10 JFEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc3ccccc3c1)(C(=O)O)N[C@H]2c1ccc(C(=O)OC)cc1 247807623 ASCAHRQZSKZACV-MVPDCNEZSA-N 496.519 2.571 30 10 JFEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2OC(F)F)c1=O 254478779 HHHIMCZANIAUBW-UHFFFAOYSA-N 481.524 2.934 30 10 JFEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 523973128 HNUIDIPBXBVYEV-GMAHTHKFSA-N 496.011 2.993 30 10 JFEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(C#N)cc1F 609252084 FTIBOTCOZKIVLE-UHFFFAOYSA-N 489.573 2.886 30 10 JFEE C#CC[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cnn(C)c1)C(=O)O 757375990 LXBZIPFCZMHLCK-GOTSBHOMSA-N 472.501 2.593 30 10 JFEE CCOc1cc(C=NNc2nc(SCC(=O)NCCc3ccc(F)cc3)n[nH]2)ccc1O 1084241139 XVCVLLHTWDLFQC-UHFFFAOYSA-N 458.519 2.945 30 10 JFEE COc1ccc(C=NNc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)cc1O 1084414940 BXKUXIIAYNGWOW-UHFFFAOYSA-N 455.500 2.654 30 10 JFEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(C)cc3)n2)cc1 1084642578 SKIWMJYLJMHFMV-UHFFFAOYSA-N 473.584 2.588 30 10 JFEE CN1CCN(Cc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)c2)CC1 1136385738 GAKLTFADDDZOFE-IBGZPJMESA-N 451.958 2.951 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)n1 1136554179 MZOYPXJIKJOPPB-UHFFFAOYSA-N 453.553 2.650 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 1159325559 YEPGKVNCYGUWEN-KKSFZXQISA-N 459.543 2.772 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1161727503 QUKOFQCORAMQTA-SMDDNHRTSA-N 456.870 2.563 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccc(O)c(Cl)c3)nnc12 1161774783 BOLJBWLRDRNLHY-UHFFFAOYSA-N 455.927 2.998 30 10 JFEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286316732 YDYOUEWABNVXAJ-XMMPIXPASA-N 453.543 2.633 30 10 JFEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286356909 VLCQXVZXEIEFSN-HXUWFJFHSA-N 456.554 2.956 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1286385583 OFQFFZKOPOSRSN-GOSISDBHSA-N 472.611 2.909 30 10 JFEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1286389345 IHLZEQILPYQYKD-LJQANCHMSA-N 496.637 2.882 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1286391902 JSUWECSIFBCVTF-QFIPXVFZSA-N 479.606 2.728 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC(C)(C)N1CCOCC1 1286415550 DMISYFWFZCEFEE-UHFFFAOYSA-N 453.612 2.763 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(=O)(=O)CC 1286438725 CIOWYCRZFSKALP-UHFFFAOYSA-N 474.812 2.760 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1286492849 JTVCWGMRHPPQSW-LJQANCHMSA-N 491.514 2.737 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286500892 GTRXHHFWDMXTEZ-AVRDEDQJSA-N 487.073 2.954 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286592176 ONISCAZZBJLKQG-UHFFFAOYSA-N 488.639 2.854 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1 1286607012 ALXIFWRERLUWEY-SFTDATJTSA-N 490.649 2.854 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286626472 XIIJENKFFHSXOO-UHFFFAOYSA-N 484.022 2.967 30 10 JFEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1286663421 BSVFFZKSVIBPPU-IBGZPJMESA-N 452.559 2.810 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1286765660 HLYDFBPMKZHVDW-XUVXKRRUSA-N 463.604 2.656 30 10 JFEE C=CCn1c(N2CCC(Nc3cc(OCC)ncn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286778254 WVHOMDGOVVQTEN-HSZRJFAPSA-N 457.579 2.774 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2c(Cl)cccc2C1 1286820894 UPOKKTQDPTUODI-QGZVFWFLSA-N 450.992 2.989 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286821919 XIQUJOOPLZBJTI-UHFFFAOYSA-N 495.653 2.512 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCCCC2)c1 1300333888 DVPIMYKORLJIIM-RBBKRZOGSA-N 464.614 2.960 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2cnccc2OC)c1 1300334235 IZKGBSAVFKKOHT-IBGZPJMESA-N 460.538 2.680 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1300503232 BKTTVVUITCSTBS-FKBYEOEOSA-N 486.638 2.861 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC[C@](C)(CC)O1 1300665662 NGDNDGDWMHUUJG-BWKNWUBXSA-N 467.618 2.886 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1300871882 DKKRYFBEXKKACM-ZNLUXHQJSA-N 489.642 2.959 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1300897454 RMDVUPKOQCWSHT-XMSQKQJNSA-N 457.550 2.940 30 10 JFEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C(C)=O)CC2)CC1 1301127933 YPSZTLUPDBBYPO-UHFFFAOYSA-N 458.557 2.714 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1301151772 QYSRJJKXLCUGQL-NRFANRHFSA-N 492.734 2.777 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC(F)(F)C2(OC)CCOCC2)C1 1301567977 ZWJGQIHVOYNUDD-LJQANCHMSA-N 463.529 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301578300 WOEOGUCXGIOMJH-UHFFFAOYSA-N 474.537 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301588986 NDLWRVPQCXPXOL-OALUTQOASA-N 479.672 2.718 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301596532 RDUPAZVJBNBDFM-PKOBYXMFSA-N 465.645 2.675 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1358873889 PONIYMOONORCSG-OFVILXPXSA-N 459.635 2.812 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1358958568 QTIFZNJQKKNVGN-FQEVSTJZSA-N 484.578 2.547 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nc(C(C)(C)C)cs2)CC1 1359030332 TUFLYZNNJVZBAW-GOSISDBHSA-N 460.648 2.754 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359048152 HGAVKBYSUHTBCC-HSZRJFAPSA-N 487.651 2.529 30 10 JFEE C#CCSCCn1c(N2CCN(Cc3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1359062810 UJEGQMLIIMWNDL-JOCHJYFZSA-N 461.657 2.680 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NC)CC1 1359092385 AHQPFKJJUDUXNF-QAPCUYQASA-N 477.407 2.979 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359092852 GZTDCNZQLTZLPV-NOZRDPDXSA-N 491.640 2.788 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OCCOC)C1 1359121155 ZIXNXOVGGKPFCC-GOSISDBHSA-N 452.559 2.883 30 10 JFEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359151234 POZNSMWMFHMOJJ-DLBZAZTESA-N 464.998 2.860 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1Cc1ccc(C(N)=O)nc1 1359256450 FYYLJVMCVPHSNO-UHFFFAOYSA-N 464.533 2.870 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359286871 YHPHRMRFPRZMQK-UHFFFAOYSA-N 478.601 2.835 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1359296623 PEMQEAYOHJUFLX-UHFFFAOYSA-N 479.585 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359334831 RNKMGHVYJBRODB-UHFFFAOYSA-N 488.614 2.846 30 10 JFEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)Oc1ccc(F)cc1 1360563300 HDBCJTPIBHCPBK-SJLPKXTDSA-N 461.563 2.917 30 10 JFEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2COC(=O)C2)ccc1Cl 1450513686 AIXXCRNDNYTRQE-HNNXBMFYSA-N 452.891 2.906 30 10 JFEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 1458877402 VCBFPOYUMOOTIE-OAHLLOKOSA-N 459.538 2.707 30 10 JFEE C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1464378764 DIWKSGZNNHNAHN-UXHICEINSA-N 452.573 2.853 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2Cc3ccc(O)cc3N2C(=O)OC(C)(C)C)n1 1467714544 BRDPPHYMUGVZRQ-NRFANRHFSA-N 454.527 2.563 30 10 JFEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)C(=O)OC(C)(C)C 1502198984 BAJPPNKRJIZXGZ-HTAPYJJXSA-N 480.635 2.567 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)CN1CCCC1 1507621235 QVYJDHRXMDQEDZ-UHFFFAOYSA-N 463.674 2.834 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1cccc(OCC)c1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1507633893 KOBCIMWLKZLZNA-MRXNPFEDSA-N 468.526 2.516 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(F)(F)F)cc1 1507669746 QVPGWKMGJLWEBM-QGZVFWFLSA-N 450.486 2.710 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(OCCOC)CCOCC1 1507681255 RMPBQEXHYQZEDN-UHFFFAOYSA-N 480.407 2.718 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)N(C)C2CC2)CC1 1507718608 RJSGBGJRFVSVAU-KRWDZBQOSA-N 487.446 2.954 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(CSC)cc2)CC1 1507738412 OIGLNTZXKZAZIU-UHFFFAOYSA-N 463.611 2.556 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cccc(C)n2)CC1 1507740423 TWJOMOOQZAKWFU-UHFFFAOYSA-N 477.638 2.936 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1507741241 YDESINGXDQUAMP-UHFFFAOYSA-N 494.640 2.896 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507809701 JPSYHELSJNJHPM-FVJLSDCUSA-N 466.579 2.847 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507822820 KBIFDYNKXFWPNV-UHFFFAOYSA-N 478.439 2.992 30 10 JFEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1507891107 WMMPRGJRKUTSGH-RXVVDRJESA-N 476.599 2.641 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1508006951 OONXRJSEJFCXJI-UHFFFAOYSA-N 482.488 2.938 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508059126 LPTXFVATLNBVGI-IRXDYDNUSA-N 478.594 2.876 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1508078628 FLUVGYISLBLNFH-SFHVURJKSA-N 498.628 2.643 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1508091225 MNCJNVBEHOBUNO-HUUCEWRRSA-N 460.376 2.970 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(=O)(=O)c2ccccc2)C1 1508115098 HTTJLFMQTVRBDB-GOSISDBHSA-N 489.001 2.753 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCN2CCSCC2)c1 1521074921 DNZIIKOVOVKKEM-UHFFFAOYSA-N 466.533 2.759 30 10 JFEE C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)OCC 1523036284 JRGAEFAMUMWUFA-ZDUSSCGKSA-N 451.408 2.715 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1539031920 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PUMPBRMNWQHKGP-NHCUHLMSSA-N 472.590 2.682 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1540913862 VUWMTPHFSDCBRM-UHFFFAOYSA-N 463.611 2.854 30 10 JFEE CC1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1544264428 GXDRIUXMRRFRSD-RBUKOAKNSA-N 473.647 2.517 30 10 JFEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC)N1CCOCC1 1545807300 FUYGAVRLBNRZCB-GOTSBHOMSA-N 479.629 2.669 30 10 JFEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C(C)C)C(C)C)c2ccccc2c1=O 1547738291 GKYPHKWUMJFDPU-LJQANCHMSA-N 478.601 2.522 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)[C@@H](C(N)=O)C2)cc1C(F)(F)F 1548369323 ZMSAEQHQDRJRJP-QGZVFWFLSA-N 475.427 2.556 30 10 JFEE C#CCN(CC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C(=O)OC(C)(C)C 1556111304 SYFPOXCTETZSOZ-MRXNPFEDSA-N 453.461 2.793 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1587783121 KSOSROLENPDSLG-JPYJTQIMSA-N 457.600 2.847 30 10 JFEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587921642 DOYWQEAYCXGFPZ-HSZRJFAPSA-N 459.598 2.814 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588040188 IZJCWYVIFWRQCX-GOSISDBHSA-N 480.009 2.850 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(COC)CCCC1 1588124587 NVQNILJATBDJIC-UHFFFAOYSA-N 468.627 2.908 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSCCCO 1588134034 RRZQNMKPEWWLOP-LJQANCHMSA-N 461.632 2.581 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC(F)(F)F)cc1 1588229107 RBYRGLIQGZSZPZ-SFHVURJKSA-N 480.512 2.784 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](OC)[C@H](C)CC)CC1 1588908506 RYKVSPGAJPXIIP-VGSWGCGISA-N 467.570 2.701 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1589059373 FCRUBKRNLZSEBX-RBUKOAKNSA-N 490.674 2.851 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1589569671 QGVFYDVYNUJZMC-PNCHPQGNSA-N 455.559 2.514 30 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1619452918 GXTLYOSDJZUKCE-WIYYLYMNSA-N 454.575 2.715 30 10 JFEE COC1CCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 1619505650 CCMZDQOIEQXEKP-JOCHJYFZSA-N 479.629 2.811 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN[C@]2(CO)CCc3cc(Br)ccc3C2)c1 1620418906 HTGPJHHIVIHJOJ-JOCHJYFZSA-N 456.340 2.588 30 10 JFEE COc1ccc([C@@H](NC(=O)CNc2ccc(C#N)cn2)c2cccc(S(C)(=O)=O)c2)cc1 1634618972 DWFSTEGHSWRQJY-HSZRJFAPSA-N 450.520 2.683 30 10 JFEE C=CCC1(O)CCN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)CC1 1652165038 YNOHUPZFOFXVEC-UHFFFAOYSA-N 459.591 2.617 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1 1663243969 IJGLDGGNMQWUDP-UHFFFAOYSA-N 456.499 2.754 30 10 JFEE COC(=O)c1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(Br)cc1F 1668831793 FOCRRXGYAUXTGE-UHFFFAOYSA-N 453.272 2.648 30 10 JFEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689990793 RUMPANFPJULWHF-VQTJNVASSA-N 491.658 2.819 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](CC(C)C)N(C)C 1690003585 RGLAYAFQUAMPER-HXUWFJFHSA-N 469.659 2.596 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)Cc2ccccc2C1 1690082992 WHNLVIYWEVQWAN-UHFFFAOYSA-N 462.623 2.828 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1690088330 IUOPKFKOQZJHAT-DEOSSOPVSA-N 490.601 2.676 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2ccn(C)n2)CC1 1690115605 MJBRBGDIWDRXOJ-UHFFFAOYSA-N 468.403 2.747 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC2CCCCC2)CC1 1690134996 NTGOBCAOMJARHO-FYYLOGMGSA-N 470.662 2.791 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)CC1 1690139826 AWOOOCDEONBQSG-UHFFFAOYSA-N 460.460 2.709 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1690245404 HYBGJUKZHRQLRJ-FZDYFIAFSA-N 492.667 2.535 30 10 JFEE C=C(Cl)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690359058 RMVVCQYDZQCYIC-JOCHJYFZSA-N 464.014 2.517 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1690419680 YVTJUJMCEKHQHP-UHFFFAOYSA-N 489.020 2.759 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690435326 ZSSNRWMZFDJYCA-UHFFFAOYSA-N 494.640 2.751 30 10 JFEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690600815 FPOHNDQBTHBRPM-RTWAWAEBSA-N 473.647 2.522 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690676357 XOVOKUAJHKIGMO-CRAIPNDOSA-N 467.492 2.878 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1690747071 SBWKMWMXFOHOEE-HXUWFJFHSA-N 490.655 2.648 30 10 JFEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1693507219 HOMTZXKCJADUNS-GOSISDBHSA-N 453.591 2.941 30 10 JFEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1695607314 ICVWXDWRHIVWQB-HXUWFJFHSA-N 472.597 2.904 30 10 JFEE CO[C@H]1COCC[C@@H]1Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1697702801 HHNOIEMPXVYJTH-NQIIRXRSSA-N 456.566 2.964 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN(C)CC(F)(F)F)c1 1705505730 SCNFYYFAVLRWOV-UHFFFAOYSA-N 473.503 2.834 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1705565411 ICXFCUCWOPRLED-FQEVSTJZSA-N 474.627 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1csc(CC)n1 1705582760 JBQYWDOITDHZLZ-UHFFFAOYSA-N 460.611 2.787 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1705587535 YZEXRDAKUBWAOF-KRWDZBQOSA-N 453.547 2.611 30 10 JFEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705616865 HXHAYPZCLUJUOJ-FYYLOGMGSA-N 485.654 2.736 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCc1cnc2c(Cl)cnn2c1 1705624715 MJZUNHPJACLASP-UHFFFAOYSA-N 460.929 2.842 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCCCCC2=O)CC1 1705636689 UOGLPPLZGPEGOD-UHFFFAOYSA-N 450.587 2.502 30 10 JFEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCOCC1 1705679249 GVIMJQTYFVDNTR-UHFFFAOYSA-N 454.756 2.997 30 10 JFEE 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CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2371995398 ACZKTKXZQHGKRB-SBUREZEXSA-N 464.343 2.925 30 10 JFEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1O 20527556 OMACGXJVBLWNRS-WYMPLXKRSA-N 483.554 2.620 30 10 JFEE CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[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 61389579 BOBLHFUVNSFZPJ-VPQUHHNCSA-N 494.531 2.985 30 10 JFEE C[C@H](ON=Cc1ccccc1OC(F)F)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 254387108 OEAKITQJTBIPBX-HNNXBMFYSA-N 483.493 2.687 30 10 JFEE C=CCSc1nc(O)c2[n+](n1)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N(C(C)=O)c1ccccc1-2 261363926 IMWNYGFIULAMDW-NRFANRHFSA-O 480.482 2.965 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cnn(Cc4ccccc4)c3)CC2)cc1 481915400 BSDADLCLDVBFLN-UHFFFAOYSA-N 463.563 2.520 30 10 JFEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccc(C#N)cc3F)cc2)C1 609233582 NCHJRDWDFCDZIP-HZPDHXFCSA-N 465.572 2.842 30 10 JFEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)c1nc(C(=O)OCC)cs1 751107975 LRJAYXIHYRRWOL-JOCHJYFZSA-N 456.524 2.614 30 10 JFEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCC(=O)OC)C(=O)O 757233588 GBBRNJSSORFPGJ-FGZHOGPDSA-N 480.517 2.992 30 10 JFEE CC[C@]1(C)NC(=O)N(N=Cc2ccc(OC(=O)c3cc(OC)cc(OC)c3)c(OC)c2)C1=O 916330054 AZHZJPHSMAUVNK-QHCPKHFHSA-N 455.467 2.986 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)ccc1F 918590296 ILEBPLQCPJSYOC-UHFFFAOYSA-N 473.570 2.644 30 10 JFEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=Cc3ccccc3)n1)CC2 1084490367 KSWYGZAERSOIGF-UHFFFAOYSA-N 452.540 2.945 30 10 JFEE C=CCc1cccc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c1O 1084554333 VHPAWHXNLYFWKM-HNNXBMFYSA-N 451.556 2.842 30 10 JFEE C#CCN1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 1136863055 MWWSBIXWWDSVQV-QGZVFWFLSA-N 450.352 2.608 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1286321839 BWLQBOLTCABNQF-MSOLQXFVSA-N 494.687 2.939 30 10 JFEE C#CCN(c1nnc(CC)n1CCc1csc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1286390843 AGLDWTNXDQFZAN-LJQANCHMSA-N 455.609 2.833 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1286391762 DPIJTLJBSXHVAM-JOCHJYFZSA-N 463.607 2.750 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286408814 KIQSMPGALKLEKJ-UNMCSNQZSA-N 486.041 2.799 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCN(CC)CC1 1286419096 XBAZCLKVDGFAQT-UHFFFAOYSA-N 486.462 2.537 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(C(=O)NCC)CCC1 1286421461 DYBOQSAIIUXRJX-UHFFFAOYSA-N 471.403 2.815 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(OC)nc2ccccc12 1286421593 FRQQLZPVJHDDCH-AREMUKBSSA-N 459.550 2.998 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@@H](C)C1 1286450293 OTMCOLBSNRFJDY-XMMPIXPASA-N 463.674 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC(F)F)CC1 1286489233 KMXUUVVFFTXOOD-UHFFFAOYSA-N 468.508 2.741 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(CN(CC)CC)c2)CC1 1286490576 YMRNCLKBFPMTAK-UHFFFAOYSA-N 486.624 2.591 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286593574 PSHSNJAPOKAPKU-FQEVSTJZSA-N 452.607 2.913 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1286611577 MBSDLOQELINJJW-FQEVSTJZSA-N 459.513 2.523 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1286683009 GRODTGHNTZJWNC-SFHVURJKSA-N 466.652 2.616 30 10 JFEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286689417 OXSUYFZIJTYLMT-UHFFFAOYSA-N 459.620 2.564 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 1286796651 OJWOCFIENNRQLH-QZTJIDSGSA-N 479.503 2.900 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1286970372 CHOJKVQDABUOKU-YXERLDLWSA-N 450.609 2.857 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(CN(C)C)c1 1287474515 BOANTYUXFGXPMB-FQEVSTJZSA-N 473.629 2.963 30 10 JFEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1)C(=O)OC 1287776955 HGPMNLKAROECOS-NXHRZFHOSA-N 452.573 2.790 30 10 JFEE CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1294476816 HXLSHRCXZDZCJF-QGZVFWFLSA-N 459.428 2.857 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1300390895 COONFPJZHDPTCL-UHFFFAOYSA-N 462.514 2.782 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300449041 MCCUDUKYUAZIGN-GOSISDBHSA-N 462.558 2.532 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1300483262 KAKKQRMGFMVRRH-SFHVURJKSA-N 456.568 2.991 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300488175 BGTSRLJGBFOHDB-TZIWHRDSSA-N 458.584 2.540 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccncc1Cl 1300512925 NUOXXLVFDRREND-UHFFFAOYSA-N 467.986 2.716 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(N(C)C)CCSC1 1300569872 VCSOOJWXBGDLSH-XMMPIXPASA-N 453.612 2.863 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1300665332 YSJXCZCJHUAWRZ-GHTZIAJQSA-N 453.616 2.909 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](CC)N2CCc3ccccc3C2)CC1 1300682744 QJSAOIGCJVEKRN-RUZDIDTESA-N 491.684 2.789 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300819134 MTVRTEWTIMKKQG-LMVRJCEZSA-N 485.551 2.647 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861394 IFADKECYLCVOHU-IIBYNOLFSA-N 482.423 2.722 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1300867974 ANWUGASZJFGZCP-AQNXPRMDSA-N 492.690 2.987 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)COC)CC1 1300876562 REIUTQQIRNJCJW-GGAORHGYSA-N 453.587 2.784 30 10 JFEE CC(C)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1301958954 BPFHWRKHEYPKSQ-AZUAARDMSA-N 454.575 2.669 30 10 JFEE CC(C)(C)c1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)n1 1302041259 FXGRMHINSVZCAX-MRXNPFEDSA-N 465.583 2.843 30 10 JFEE CS(=O)(=O)Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)cc1 1302448826 HKEBIJVFLGMIFK-UHFFFAOYSA-N 450.568 2.597 30 10 JFEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1303307615 FCCWSUBMLBLKCM-UHFFFAOYSA-N 465.646 2.973 30 10 JFEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(Cl)cc1F 1311527586 WEEAIKZNWPANIZ-LJQANCHMSA-N 453.923 2.578 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cc1OC 1313502824 GJABNFINHHFTOO-FQEVSTJZSA-N 478.553 2.527 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N1CCC(C)CC1 1314389006 GEPRMVJKLOKFDM-HXUWFJFHSA-N 452.607 2.528 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(C)=O)nc1 1316085696 DIORECHRDMTCCG-UHFFFAOYSA-N 485.552 2.605 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1358888292 KLCJIVKBKYJSLO-BBFQFKIHSA-N 461.607 2.781 30 10 JFEE C#CCCCn1c(N2CCN(CCOCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936246 ILSJEHUYRIUDFG-BGYRXZFFSA-N 460.623 2.621 30 10 JFEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358957569 VZUVCAFXBAURJT-MUVBPKFCSA-N 464.632 2.554 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358960158 YNKQKIZSIOSVPG-LEWJYISDSA-N 455.628 2.692 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1359008848 BXIQLGBTIYUCAX-LJQANCHMSA-N 461.607 2.784 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359012114 ZPPMICWVOZWJRT-ACRUOGEOSA-N 466.586 2.748 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1359029820 IESHWFSOYCXCQZ-QGZVFWFLSA-N 481.519 2.833 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCNC(=O)C(C)(C)C)CC1 1359032952 KGTRPKUSEFXGFH-UHFFFAOYSA-N 482.629 2.660 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359038596 BRSYROSARDOVSP-VWLOTQADSA-N 467.545 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1359045688 QGERFDZLHXLLEO-UHFFFAOYSA-N 461.513 2.659 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359053742 XJCAOQLHMQXNBZ-FQEVSTJZSA-N 482.610 2.913 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1359097121 LEGHYIQKZQVFIH-CBQOVEMMSA-N 486.642 2.723 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1359106490 GEGLVANCMNMDMF-GOSISDBHSA-N 450.547 2.728 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1359113309 FPOFNEBSQQXSLS-CTNGQTDRSA-N 477.631 2.789 30 10 JFEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1359126809 ZQRRCQNTFQDARI-JOCHJYFZSA-N 452.603 2.922 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1359158613 ZUNABABAXRHTJY-HKUYNNGSSA-N 463.941 2.856 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359219480 RKILCRBIKNIXKU-OAQYLSRUSA-N 468.650 2.675 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1359276239 WPQCSFAQKXWNAE-SFHVURJKSA-N 484.582 2.578 30 10 JFEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359289071 ZGDOHMPTNDVPCC-SZPZYZBQSA-N 466.630 2.712 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1359327439 AVNLLKFZPZLVRZ-HSZRJFAPSA-N 489.598 2.702 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1359328753 NIVPQBMYKOMBTB-LJQANCHMSA-N 450.008 2.874 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(N(C)C)CCSC1 1359476404 DINXPUVHMAVGIJ-ATIYNZHBSA-N 496.729 2.676 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(N(C)C)CCSC1 1359476405 DINXPUVHMAVGIJ-BKMJKUGQSA-N 496.729 2.676 30 10 JFEE Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1360926005 FQIYRFXHCADQDR-LJQANCHMSA-N 471.608 2.965 30 10 JFEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC)o1)[C@@H]1CCOc2ccc(Br)cc21 1444122443 OBPWHEIOCLVLRV-CQSZACIVSA-N 453.314 2.549 30 10 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30 10 JFEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1)C(C)C 1517861409 CAKDPNSTJHSHBS-FGZHOGPDSA-N 465.558 2.502 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1521069120 DFXYALSVGHFMQD-PXNSSMCTSA-N 486.445 2.701 30 10 JFEE N#Cc1cc(Br)ccc1C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1537807214 HRHVNNLYCRZJTQ-FQEVSTJZSA-N 453.340 2.884 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1539225417 NUSDRCAMPALVAX-VXKWHMMOSA-N 461.676 2.902 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539229921 ABRARBGOEXRRDF-XZOQPEGZSA-N 485.654 2.587 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539231997 ZXBSNOLXAQWHFO-YADHBBJMSA-N 485.654 2.524 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCN1CC 1539304985 KZHTYDRUVUDZBS-OAQYLSRUSA-N 453.612 2.686 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccnc(OC2CCOCC2)c1 1539332424 QQTINMZGTWGIDI-UHFFFAOYSA-N 456.550 2.728 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCC1 1539384734 NHOXUOJLNCEYOI-SFHVURJKSA-N 476.622 2.542 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1539423153 SUDZGUCYCVPGAE-IBGZPJMESA-N 498.632 2.802 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1539430414 JQCCUJKILHLVLQ-VSKRKVRLSA-N 484.620 2.812 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1539461698 ILSMAXYNJBYZAA-UHFFFAOYSA-N 484.576 2.618 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(C)(F)F)CC1 1539470409 OMMHHSVWCWQTQK-UHFFFAOYSA-N 491.539 2.982 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCn2ccnc2C)CC1 1539489744 WSYMFXQIVXANCN-UHFFFAOYSA-N 459.598 2.624 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1539509976 BZCRDJSMCNUSRL-UHFFFAOYSA-N 484.029 2.956 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(CCO)Cc1cc(Br)ccc1F 1539512850 IIZOVIATOXQQKD-UHFFFAOYSA-N 493.406 2.946 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1539593797 ACDDVDJPUAVFGM-CVEARBPZSA-N 468.302 2.994 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1539632150 PNNIFOXVXLUADR-FSSWDIPSSA-N 475.634 2.522 30 10 JFEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539832443 VJSXNGKEVTYYQX-NQIIRXRSSA-N 473.540 2.740 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1540020858 OSZOMMCIBKGUQS-KRWDZBQOSA-N 492.378 2.908 30 10 JFEE C=CCCOCCn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1C(C)(C)C 1540043060 WENFPGJFYRJMBX-NHCUHLMSSA-N 460.667 2.795 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1540126046 FICHDHJTPUCSMX-SFHVURJKSA-N 457.556 2.556 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1540184606 GHWBNLHJBONPTE-LJQANCHMSA-N 470.599 2.901 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540874690 OKVBGFSRRPXJGS-UHFFFAOYSA-N 493.612 2.703 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1540901031 QTSVLCACWIUMHV-QFIPXVFZSA-N 467.595 2.779 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1540903072 XXJPENZPSRCARR-UHFFFAOYSA-N 489.617 2.818 30 10 JFEE CC(C)(C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cc(F)cc(C#N)c1 1541028059 GHMXSJJLXAAJCY-FQEVSTJZSA-N 459.543 2.749 30 10 JFEE C=CC[C@]1(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1546223435 JAGYBYRSLROXSS-DNQXCXABSA-N 456.543 2.703 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NOCC(N)=O)c1 1546261584 LEZIMRCCAPGAHX-UHFFFAOYSA-N 458.323 2.521 30 10 JFEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cs1 1554585676 DRCGPZSPCAMLJW-KDOFPFPSSA-N 472.596 2.652 30 10 JFEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1564646060 FCFJZWNNKYOIEF-UHFFFAOYSA-N 455.531 2.808 30 10 JFEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@H]1CO 1567861579 CAKTXCIMUWWMNL-HOOSLVGPSA-N 450.535 2.814 30 10 JFEE N#CC[C@H]1CCCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1584317503 GMABTDYNRDGNHN-APWZRJJASA-N 453.568 2.875 30 10 JFEE C#CCC1(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCCCC1 1585161398 AQVVQMUZECSLKZ-UHFFFAOYSA-N 459.568 2.612 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1587861508 MXATWHJCGAINRK-KRWDZBQOSA-N 486.539 2.684 30 10 JFEE C#CCCCn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587894082 NUVINLSSKMPRRN-CYFREDJKSA-N 471.606 2.561 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1c[nH]nc1C 1588174257 VJCVCEAAKOGJPW-UHFFFAOYSA-N 463.973 2.989 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1OC 1588233223 DMOBSSQDMUPNJH-QHAWAJNXSA-N 471.602 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cn2ccsc2n1 1588233959 XDPZCEVHUYIZLJ-LJQANCHMSA-N 495.609 2.807 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2CCOCC2)CC1 1588733564 WASLRGRUDBKWDV-UHFFFAOYSA-N 450.587 2.719 30 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C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1689885907 ZCXKUMGEQYNIQE-GOSISDBHSA-N 452.563 2.879 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1689982325 KTGCEFNTCJAJLI-AWEZNQCLSA-N 487.445 2.822 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689990797 RVRDLRKFMVBIAJ-MOPGFXCFSA-N 479.647 2.866 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1690033150 ROQDWAYERFWJLD-GOSISDBHSA-N 458.559 2.845 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1C[C@H](F)C1 1690088756 VWANUFPFSASMLL-IEZWGBDMSA-N 451.543 2.805 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690159533 DIASBZQRZJGJOV-OXQOHEQNSA-N 460.625 2.719 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 1690239143 RYEUCSHZHRWNOG-YOEHRIQHSA-N 479.379 2.905 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Br)ccc2C1 1690288069 GGQRLPIRWSMDHU-GOSISDBHSA-N 496.431 2.512 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690367700 YSVBOFKXNMOGOO-HXUWFJFHSA-N 472.659 2.531 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690451688 NEMRDPBWKIPCMV-ZDUSSCGKSA-N 473.525 2.616 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690466860 DBZJVKOSONWQEK-INIZCTEOSA-N 451.618 2.639 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(N)=O)cc2)C1 1690710583 UJBBIPPKVSJLDF-LJQANCHMSA-N 453.572 2.954 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1691003242 FCCFALQNXDBPDM-FUHWJXTLSA-N 458.588 2.541 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCSC1 1692537178 ARYCTQOANFWMFK-INIZCTEOSA-N 457.579 2.507 30 10 JFEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)s1 1693446034 DPHYAQOXUFWRCR-UHFFFAOYSA-N 464.599 2.914 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)c1 1705505676 RGLIADINXZOSIQ-WMZOPIPTSA-N 456.497 2.721 30 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465.598 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCN(CCC)C2)CC1 1722449404 RGNRLEZIDVLRFO-HXUWFJFHSA-N 454.644 2.628 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1722461565 HTKKLRFLJBBYNI-UHFFFAOYSA-N 452.628 2.710 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1722473333 SPIZGKUPPQOMHZ-OHUGHZGNSA-N 489.617 2.774 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722546604 RFYMKAXUDUDIBR-AWEZNQCLSA-N 492.827 2.818 30 10 JFEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1722599583 GYLPTSHJONCNFJ-UHFFFAOYSA-N 493.612 2.887 30 10 JFEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722620407 MNTQGFAUNHXSSM-HMXCVIKNSA-N 458.651 2.952 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1722677044 RKPNRLWUAOYNES-IBGZPJMESA-N 489.642 2.799 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1722686237 UCSZTVMUKMFPHB-FQEVSTJZSA-N 470.574 2.805 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1723777950 CCIGUHYLBXUVBB-WMZOPIPTSA-N 458.588 2.683 30 10 JFEE C[C@H]1CCC[C@](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)(N(C)C)C1 1726518313 HMSLENZMGFVNFA-DFBJGRDBSA-N 499.685 2.845 30 10 JFEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 1729595607 GIJLIPWTFXMRFH-FQRUVTKNSA-N 495.628 2.577 30 10 JFEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1730445163 HOXICNHEPDSJEB-SFTDATJTSA-N 479.629 2.622 30 10 JFEE N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1731185513 FEEFWEQSWTVEJN-UHFFFAOYSA-N 453.453 2.829 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740566131 PBNAEZZTQOFMSZ-RLAPIPATSA-N 471.627 2.596 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740618926 DLKVLAQIKKZJRD-FQEVSTJZSA-N 462.019 2.711 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 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COCCS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 750148639 HODHCGKPRLXSTH-CYBMUJFWSA-N 462.549 2.713 30 10 JFEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C(N)=O)c1 919992786 HIJKGYIYCPLLAJ-UHFFFAOYSA-N 465.959 2.724 30 10 JFEE Fc1ccc(COc2ccccc2C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 1083988486 GXGOMIRTSZSKTP-UHFFFAOYSA-N 493.543 2.709 30 10 JFEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3c[nH]c4ccccc34)n2N)c1 1084304976 MCRBWRVVRYGUPN-UHFFFAOYSA-N 466.527 2.667 30 10 JFEE C=CCc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(OC)c1OCC(=O)OC 1084523335 ZKVZNYPZJUVRHA-WJDWOHSUSA-N 484.505 2.946 30 10 JFEE C=CCn1c(SCC(=O)N2CCC(O)(CO)CC2)nnc1-c1ccc(Cl)cc1Cl 1146453663 CQNDVGIQDLMGJI-UHFFFAOYSA-N 457.383 2.876 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)ccc1F 1149029486 XJRORSBLCATGCC-HOTGVXAUSA-N 453.536 2.514 30 10 JFEE C[C@H](CC#N)NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 1182667203 HMDKJRATFQREQX-MRXNPFEDSA-N 450.520 2.789 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC(C)C 1286283445 XGTBMOKPKAZVAX-GFCCVEGCSA-N 460.423 2.555 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286294763 CPGFSFIQFQYWNU-HFSMHLIXSA-N 459.591 2.670 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286338757 PPNZCNKSOBQAAU-LEWJYISDSA-N 480.613 2.928 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286344565 HHTLHWQRUBJEAB-INIZCTEOSA-N 465.476 2.881 30 10 JFEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1286362725 FAJNRJOZSWOOMT-DHLKQENFSA-N 453.587 2.845 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1286388115 YIMRQZOYIAQLKM-QGZVFWFLSA-N 455.971 2.977 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286425932 CTPSJQAKTJSMHJ-WOJBJXKFSA-N 473.581 2.556 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([S@](C)=O)CCC2)CC1 1286474515 LGZCEOLMFHHPDX-HKBQPEDESA-N 462.019 2.664 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1286487078 CSHIRAFZQILCCL-UHFFFAOYSA-N 487.608 2.540 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286537076 VXLVEPSNAQSKMZ-HNNXBMFYSA-N 464.412 2.964 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCCOC)CC1 1286560899 KEJHBCOOIDMFQN-GGAORHGYSA-N 482.629 2.999 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1286581662 SDPPPDJSDVTTOO-MBSDFSHPSA-N 467.611 2.776 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CN(C)C1=O 1286741155 HILPQJCISHGAAU-RUZDIDTESA-N 458.570 2.682 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286787183 QMWCLSXHMUHVFN-KRWDZBQOSA-N 462.432 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286819927 ZTUOFLDMTQSHQR-INIZCTEOSA-N 473.521 2.797 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286822478 LDWUIPGLUSPSSB-CTNGQTDRSA-N 482.635 2.978 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1CCN(Cc2cccs2)CC1 1286969078 DHCZICPYRYNEIY-GOSISDBHSA-N 455.632 2.970 30 10 JFEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC1 1290342216 DDFOXIIGBXHJKI-MQFAKOPTSA-N 457.527 2.504 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC(C)CC2)cc1OC 1296762787 AEMPTBUSDSNPGZ-HXUWFJFHSA-N 454.575 2.813 30 10 JFEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)C1 1299350134 GVGFMMOWHYOTCZ-HOYKHHGWSA-N 453.543 2.933 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1300504068 JJFPXAZYTPHQIO-UYAOXDASSA-N 492.692 2.641 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1300695897 OQLLQMWUHJTQSP-UHFFFAOYSA-N 476.581 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2csc(C)c2)CC1 1300716636 OGQBSRPLNBJLCT-DEOSSOPVSA-N 471.627 2.703 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1300766834 LRTPSTNGGLGFHL-FQEVSTJZSA-N 479.654 2.872 30 10 JFEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300996174 APGGPOCHUSRPBL-UHFFFAOYSA-N 486.642 2.803 30 10 JFEE C=C(C)COCCn1c(N2CC[C@](O)(c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1301002477 ZYCYZTKDICEUBF-RPWUZVMVSA-N 460.550 2.760 30 10 JFEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301155169 IRUZZDJZWHIKPA-UHFFFAOYSA-N 494.640 2.773 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1301258311 PRMAJUVKGKRLKC-WMZHIEFXSA-N 460.600 2.525 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301481784 PLGKHIBMUIFJKW-CVEARBPZSA-N 484.498 2.932 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301518460 HGCKPZSEYYBNTF-QHCPKHFHSA-N 491.061 2.827 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)s2)C1 1301557198 NHPNKQYBEPZOOW-LSDHHAIUSA-N 457.021 2.919 30 10 JFEE CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C#N)CC1 1314533684 DEWRUFAJYXKAJZ-UHFFFAOYSA-N 480.635 2.567 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCO[C@@H](C)C2)c1 1358902851 BENNQOVMIOMMIB-PZJWPPBQSA-N 478.597 2.662 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccc(F)cc1 1358950114 XALUFRWTXDTWHN-YADARESESA-N 473.549 2.703 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(CN2CCOCC2)CCCCC1 1358952387 JICQBKBSNSXJAU-UHFFFAOYSA-N 470.643 2.622 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1358958017 FULDKQYNXNOMRA-QTEQDKRBSA-N 487.582 2.828 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964596 BYWXGGYKSGQSTC-ROUUACIJSA-N 450.630 2.618 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C 1359014855 ZNXFCHBFSCGHIE-IBGZPJMESA-N 460.623 2.920 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359124463 GBZXUZWJUGWFAJ-HXUWFJFHSA-N 468.602 2.575 30 10 JFEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359160442 VBCFZTPGIFEPGC-WMZHIEFXSA-N 460.600 2.741 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC2CCOCC2)CC1 1359284300 GDMVZBWVKMDGPM-UHFFFAOYSA-N 457.575 2.706 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359309719 BVSGOEHUIUELKA-KRWDZBQOSA-N 489.502 2.797 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1359325435 FLBWDVPJSYZRJW-QHCPKHFHSA-N 464.570 2.769 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359338675 DACCKTGRWDWKPH-KRWDZBQOSA-N 466.007 2.868 30 10 JFEE CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1359768750 FJBDUXNSBIYEKK-ZEQRLZLVSA-N 492.672 2.789 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(Br)cc2Cl)cc1 1468530901 GXVNWBZZWNQJFQ-UHFFFAOYSA-N 455.761 2.987 30 10 JFEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1cccs1 1503837843 CDOHFNVCEQBUBZ-HNNXBMFYSA-N 460.585 2.537 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1507555681 ARLFBVUIFXPHAM-CTNGQTDRSA-N 458.632 2.797 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507626183 DJLWKOSASHQYAC-NFBKMPQASA-N 469.655 2.866 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1507635048 SCELHKYSUGJEFX-JOCHJYFZSA-N 480.638 2.787 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507635731 UWUGAHONLXKXSR-KRWDZBQOSA-N 475.665 2.819 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O 1507650578 OBBGQFMDYAJLGM-FQEVSTJZSA-N 478.597 2.521 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1507720847 MZKFCUOTYUESNI-UHFFFAOYSA-N 475.597 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1507740676 WNRYHBUVGDCAIN-QHCPKHFHSA-N 476.556 2.757 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507748430 NPOXRSHSIHAHCZ-UHFFFAOYSA-N 454.600 2.658 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C(N)=O)C1 1507748941 RPIVEEZYGHKJGB-AWEZNQCLSA-N 478.416 2.784 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507751457 OLAWVSSLBHXLKT-AZUAARDMSA-N 493.674 2.999 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(O)(C(F)(F)F)CC1 1507802740 CVARRGBUFDBRHX-BBWFWOEESA-N 462.513 2.877 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1507807738 SJAQEKKRBKODIT-HIUFNZKISA-N 461.607 2.575 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1507811402 QRJDDEBQBDPRLN-XJABCFGWSA-N 455.559 2.562 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C(=O)c3ccc(C)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1507873216 BBFRPYBQXUOATO-QHCPKHFHSA-N 459.978 2.954 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(CC)s2)CC1 1507901477 ACDYIDDECOQKOL-LJQANCHMSA-N 465.645 2.686 30 10 JFEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507958463 DBPSFULVJKJYAV-RXVVDRJESA-N 456.547 2.603 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCOCC1 1507999847 QZWAOLDVZZDWKU-AREMUKBSSA-N 481.597 2.924 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1508076539 UUDZOPQTQXHHOS-JVFUWBCBSA-N 469.586 2.721 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508083729 BFSIPYYZEYDMBI-GOSISDBHSA-N 465.627 2.647 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 1508129797 FIWWCVGDXHKLMM-FGZHOGPDSA-N 452.603 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)c1ccco1 1508134523 GDQUSEUCRDXNIG-INIZCTEOSA-N 478.596 2.740 30 10 JFEE C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)N(C)Cc1ccccc1 1509980882 COGAGCVDTYSILL-SBHAEUEKSA-N 458.632 2.829 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1518049463 FALSVPBSJJDGQN-JPYJTQIMSA-N 488.614 2.516 30 10 JFEE COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)N(C)C)c1 1518347092 CIALXOHPDJWGLR-QHCPKHFHSA-N 491.644 2.953 30 10 JFEE COc1cccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)c1 1518347785 FPCIQKHWIMXPDQ-YADARESESA-N 478.532 2.679 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1538983732 WBMMXOFIBLQBTM-QUCCMNQESA-N 481.626 2.736 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCCC2)cc1 1539012391 FYUTURQNAOSFTF-DENIHFKCSA-N 455.628 2.672 30 10 JFEE C#CCCCn1c(N2CCN(Cc3cc(F)ccc3OC)CC2)nnc1[C@@]1(OCC)CCOC1 1539141492 VDMBENYHHAOJRQ-RUZDIDTESA-N 471.577 2.814 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)nc1 1539176982 XFWSRBLAPGWWTL-NRFANRHFSA-N 495.628 2.742 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539202016 DYKGWVTXTADRLC-FGZHOGPDSA-N 455.628 2.865 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1539203325 PKTJKRSMZKOCQZ-INIZCTEOSA-N 481.416 2.848 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539216980 YOLBRTUACJZFMU-FQEVSTJZSA-N 453.543 2.657 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCOC)CC1 1539436207 NNTJZJHQJGMRCZ-UHFFFAOYSA-N 462.392 2.898 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2c(C)nn(C)c2C)CC1 1539440847 CGFKRDAQYSQHFN-UHFFFAOYSA-N 468.403 2.861 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCOC2)CC1 1539469316 RIOADWQZWZMVKV-RTBURBONSA-N 469.561 2.950 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539497747 NZICJDHAIMHSMA-GOSISDBHSA-N 473.002 2.732 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1539517603 PTMULYHUNSHLAC-LJQANCHMSA-N 471.627 2.882 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1539595874 GXBKWCALHIJRKZ-NVXWUHKLSA-N 488.452 2.521 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539612805 QIACNNYJANMDPB-OALUTQOASA-N 490.402 2.873 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1539751155 HNCBZNDIKJFALG-JOCHJYFZSA-N 467.595 2.938 30 10 JFEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1539793053 IZAJGRHMTXWQMP-UHFFFAOYSA-N 458.975 2.912 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539899910 AVMASOQGABVDHM-QRVBRYPASA-N 479.647 2.886 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1540029250 OCSUDEYFFZLDKP-WOJBJXKFSA-N 460.600 2.804 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1540912686 GZDVBYFPGYMKPV-LJQANCHMSA-N 471.675 2.772 30 10 JFEE N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)CC2)nc1 1544926036 DPGRWMGBGKLDGM-GZNCHQMQSA-N 454.552 2.613 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)c(C)s2)CC1 1545712653 CJVCHTVICQJCFX-QGZVFWFLSA-N 492.653 2.975 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1545928548 DAYQYXNAIQFGRO-RBBKRZOGSA-N 495.628 2.771 30 10 JFEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1546644577 CRBZMQNPHZGBBT-QHCPKHFHSA-N 451.619 2.850 30 10 JFEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCCC2)cc1 1554978782 FUXHSBPGNIWYPT-FCHUYYIVSA-N 454.575 2.715 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587673436 NRCZDHDNDRTMLW-UFYCRDLUSA-N 481.576 2.670 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@]2(O)CCSC2)c1 1587697341 OCUAXMMVIACWAD-DEOSSOPVSA-N 453.612 2.935 30 10 JFEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1587798156 DXGGZUKXYBCOBR-UHFFFAOYSA-N 450.587 2.567 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1588064122 BDDARMXRNSDILU-HXUWFJFHSA-N 498.678 2.887 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588069240 JWACZTGCWKTDMN-QFIPXVFZSA-N 485.654 2.524 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588070297 YERXQKKBVVEKGP-UPVQGACJSA-N 499.681 2.913 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1588200610 XGRIBDRZBLWVKI-NLFFAJNJSA-N 450.539 2.763 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCCCC2)CC1 1588780681 VGOFUCMPIDPAJX-UHFFFAOYSA-N 452.603 2.594 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](CCOC)C1 1589068307 ACJFZDSSQWYDGQ-IBGZPJMESA-N 455.632 2.681 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCCOC)cc1 1589232943 BFSFOJRFCHAOIV-RUZDIDTESA-N 451.571 2.856 30 10 JFEE C=C(C)Cn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593683537 LMOUUAUXJKCRQH-TVZXLZGTSA-N 488.677 2.521 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)c1ccccc1 1593782065 FRWQVOAJEBJZCT-DYESRHJHSA-N 484.630 2.652 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(-c3ccccc3)c2)CC1 1594192118 DPKIKANWDMEUPL-KRWDZBQOSA-N 455.588 2.525 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1595530217 XCLAMXNNXUIUAU-SFHVURJKSA-N 476.368 2.866 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595766443 QHUAGUFKJYVVAZ-NUJGCVRESA-N 464.657 2.939 30 10 JFEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595860665 UDBXCFOLVGJCKM-FQEVSTJZSA-N 454.644 2.997 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1613133849 FNDKXMRPFVFBHR-BBTUJRGHSA-N 461.574 2.778 30 10 JFEE COC(=O)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CCOCC1 1615673838 AJKZBJPSORSVMX-UHFFFAOYSA-N 456.518 2.757 30 10 JFEE C=CCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nnc1-c1ccccn1 1640977509 HKBRFIDBVIZQAT-UHFFFAOYSA-N 452.540 2.724 30 10 JFEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(F)(F)F 1661846889 HSTXDKVHFNHKIU-UHFFFAOYSA-N 453.442 2.875 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)c1 1663230195 KFIVWTVYRZZTGV-LJQANCHMSA-N 451.589 2.868 30 10 JFEE N#CCOc1cccc(CNS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)c1 1667239632 FBLXDLSFLOBGKH-UHFFFAOYSA-N 450.314 2.715 30 10 JFEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1681596415 FDAYPAZXCIPIIC-SJORKVTESA-N 452.552 2.582 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1 1686054499 AADWRGZGSZJBDC-APWZRJJASA-N 459.522 2.945 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCCC2(C)C)c1 1689873514 MBKDROBQHCHSON-XAJLNHFYSA-N 495.624 3.000 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1689907933 QJZGUAZQMQNMQP-UHFFFAOYSA-N 456.978 2.836 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1689916206 CIYBWMGVUICDDV-UHFFFAOYSA-N 464.595 2.786 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1689961243 PZSGZVGVIIFYLU-UHFFFAOYSA-N 457.538 2.976 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1689981799 BIJGVVNJGSLFIN-IBGZPJMESA-N 460.600 2.643 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1689984055 KJINOQRYROBPHG-VGOFRKELSA-N 481.018 2.785 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1689989279 CSUSMPJCIWICRE-SUMWQHHRSA-N 486.491 2.751 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN(C)C(C)C 1689999600 DFRYFFGMAJWAMV-UHFFFAOYSA-N 455.566 2.887 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCCC2)c1 1690033446 XNNRZQGMRQLCJX-LJQANCHMSA-N 496.637 2.528 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1690047106 LLNJDALNMYQWHS-RPBOFIJWSA-N 461.610 2.926 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690154042 IDVUHCSEDRGBHP-ROUUACIJSA-N 476.647 2.620 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1690157884 RPODUMNOECPGOS-INIZCTEOSA-N 466.604 2.937 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1690170324 FTYJOAOGVREJCE-UHFFFAOYSA-N 479.610 2.655 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690226578 DNXMZZHHIZBBEC-UHFFFAOYSA-N 461.393 2.731 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690250088 CVLYSSXLGSXDJC-FYYLOGMGSA-N 467.618 2.829 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1690265099 JWTDBABOPQWTHQ-QGZVFWFLSA-N 464.588 2.657 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690348023 YKCGVEVCGNPHRA-NRFANRHFSA-N 464.904 2.714 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2nnn(C)n2)CC1 1690404628 LLDHWRSGSGJUPA-UHFFFAOYSA-N 459.352 2.690 30 10 JFEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690457458 WRNCCVHTYHOTFA-UHFFFAOYSA-N 465.558 2.905 30 10 JFEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690600814 FPOHNDQBTHBRPM-NHCUHLMSSA-N 473.647 2.522 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)CCC)CC1 1690662865 FQWMVUQADUSABH-UHFFFAOYSA-N 450.543 2.879 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1690664414 RJAFYHPUARHDLN-UHFFFAOYSA-N 467.643 2.813 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)NCCC)CC1 1690717561 JQLQJBYABCJDRJ-UHFFFAOYSA-N 480.034 2.942 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690721091 XBRYXNCZPBYEDS-SFHVURJKSA-N 490.561 2.769 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 1692434103 HXVCSTOPGHXWER-VQTJNVASSA-N 478.519 2.941 30 10 JFEE CN(C)CCOc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)c1 1696617216 HQHBFNIIIIDZFM-UHFFFAOYSA-N 465.602 2.633 30 10 JFEE CSCc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1698387758 FACWMLJZIVWJLL-IERDGZPVSA-N 462.645 2.930 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705520322 PNJVEOLMVLXREQ-UHFFFAOYSA-N 466.567 2.629 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC(N2CCNC2=O)CC1 1705538117 ZFCBGZLIFHTXAX-UHFFFAOYSA-N 452.559 2.663 30 10 JFEE 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C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCC1 1705881675 XQJGVSMTSWILDQ-UHFFFAOYSA-N 486.436 2.652 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1705987317 FMUCFDZLGLINAM-UHFFFAOYSA-N 467.574 2.790 30 10 JFEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCS(=O)(=O)C(C)(C)C)C[C@@H](C)O2 1708176842 GPZZPJBANCALQO-YTZAWJCFSA-N 487.626 2.803 30 10 JFEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1711437698 FJTDAZIUZYHSLZ-KOSHJBKYSA-N 465.510 2.619 30 10 JFEE N#Cc1ccc(CN2CCN(c3nnc(C(=O)N4CCCC4)n3CCSC(F)(F)F)CC2)cc1 1712880532 BYOKEAKDNVVZRD-UHFFFAOYSA-N 493.559 2.961 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)c1 1722307870 XUVHPKHVJYLHFJ-LJQANCHMSA-N 471.627 2.748 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2([S@@](C)=O)CCC2)c1 1722310345 URMHEPBWVVHMRK-DUTUXMCTSA-N 469.611 2.530 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722358627 DVCCIQGDMWOWIC-GHTZIAJQSA-N 476.046 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476.599 2.567 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H](C)C1CCC1 1722509231 OFJPGNVTPQOEEI-KCLUMXDGSA-N 481.663 2.607 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1722591859 QMNCZCRZKWOOHG-KRWDZBQOSA-N 452.621 2.904 30 10 JFEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722619554 GQFCYUYQHKQVQS-HSZRJFAPSA-N 486.686 2.622 30 10 JFEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1722735956 VUSNNTRACUOMNO-UHFFFAOYSA-N 475.615 2.949 30 10 JFEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 1722761974 BBHLVBQOOYLXMU-UHFFFAOYSA-N 496.612 2.823 30 10 JFEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1722807930 HEOKOPJNXKAUJP-YABDQXBESA-N 454.600 2.568 30 10 JFEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1(C)C 1728919892 HRFKENMIOJURTN-PMACEKPBSA-N 462.558 2.610 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1740591091 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C[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2345740367 CODUVLSQHWZNPN-RHSMWYFYSA-N 452.332 2.923 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CCO1 2345741177 MVSWXHATBVGTLT-GJZGRUSLSA-N 452.332 2.971 30 10 JFEE COc1nc(O[C@@H]2C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365378637 AUJUZXWGFIPOBC-MJGOQNOKSA-N 498.341 2.633 30 10 JFEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2369629220 KWRUVLSGKDBUFD-SFHVURJKSA-N 495.834 2.885 30 10 JFEE CCCN1C(=O)[C@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21 102551152 OGYJMTQMLWGJGV-MCQUKTMOSA-N 492.528 2.827 30 10 JFEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)OC)cc1 102559017 BGEZUTGISTYHNM-SADKCHQCSA-N 467.474 2.703 30 10 JFEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(Br)cc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103118343 LGDXNJMLRPXVPL-LYHOESIGSA-N 491.294 2.788 30 10 JFEE CCN(CC)CCCN1C(=O)C(=O)/C(=C(\O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccnc1 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286563041 IILHDDKJTOAYJD-ONTIZHBOSA-N 476.647 2.524 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286564989 OBTRSTMOYAIUQA-GIWBLDEGSA-N 469.634 2.814 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286676471 LHTZBDZNYSKPGP-XMMPIXPASA-N 457.623 2.981 30 10 JFEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286709535 XBBITNHSRZGNQP-AUSIDOKSSA-N 470.593 2.666 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286779020 CTPZWKUXVATXFK-INIZCTEOSA-N 488.518 2.710 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 1286814206 NEKHOVXTOWVRKC-SFHVURJKSA-N 478.018 2.864 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1286824253 XTXSKWANZAENFG-IRXDYDNUSA-N 461.613 2.660 30 10 JFEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286827336 KZSCRPQAQKGVHX-CQSZACIVSA-N 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474.627 2.773 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1N(C)CCCC1(C)C 1539334128 TYHWGMBIGXLOMF-HXUWFJFHSA-N 452.628 2.853 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)c2ncc(C)s2)CC1 1539434662 RXOQYHCVCCFLEQ-QGZVFWFLSA-N 484.651 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1539469586 CMMDJANCLWCFNW-UHFFFAOYSA-N 485.592 2.875 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(OC)CCC2)CC1 1539487855 AFQBRAGSLFKLJP-UHFFFAOYSA-N 476.581 2.654 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539607553 HSARYFPLDIDTDG-WBVHZDCISA-N 473.331 2.572 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1539642562 QXCIMLHTNKNCQA-PKOBYXMFSA-N 453.653 2.807 30 10 JFEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1539769917 FKNWOSOODRCLCZ-UHFFFAOYSA-N 450.996 2.779 30 10 JFEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539811105 BBWBLRBRZZFEOT-FQEVSTJZSA-N 465.067 2.914 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539896797 SFAWZZMZLHCCMN-IBGZPJMESA-N 457.550 2.894 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1540004739 FOYFYXQPJQFVMP-IBGZPJMESA-N 475.590 2.815 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1540006152 RCTAMLSKQVHLMD-KBXCAEBGSA-N 450.527 2.676 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 1540502704 HSYCADUGXGUHHC-RUZDIDTESA-N 456.587 2.745 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS(=O)(=O)CC2)cc1 1540878360 VKHWBKHIRHPMEV-UHFFFAOYSA-N 459.959 2.841 30 10 JFEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CCO1 1546769220 BJVFDGSQHBRAEY-SFHVURJKSA-N 466.567 2.835 30 10 JFEE CCn1cc(S(=O)(=O)N2C[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@@]3(COC)C2)cn1 1548366459 IINJPHSOLGUOCF-UTKZUKDTSA-N 497.543 2.957 30 10 JFEE CN1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1554364112 AXNVWDPOJKDQJQ-QHCPKHFHSA-N 460.001 2.990 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482.633 2.915 30 10 JFEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301258475 UDJZQOXRZQAADX-RXVVDRJESA-N 455.559 2.878 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1301355504 YLDJIBKFAQGCSG-NRFANRHFSA-N 489.573 2.892 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1301492328 FARAGAMHEGKSTR-UHFFFAOYSA-N 489.580 2.814 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 1301618416 RPYSFIUCNWVWJU-UHFFFAOYSA-N 456.595 2.920 30 10 JFEE CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)c1cccnc1 1302527220 AVVFMNFVGUMYJM-OALUTQOASA-N 465.583 2.833 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Br)cn2)C1 1303934431 DOZTWGOIEXHFAK-FQEVSTJZSA-N 484.362 2.715 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1306547611 HPKFCOFCMRZUEE-SFHVURJKSA-N 486.642 2.773 30 10 JFEE COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 1309036788 GXNDZZWTXXMNAA-OAHLLOKOSA-N 450.948 2.531 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454.543 2.611 30 10 JFEE C#CCN(Cc1ccccc1)C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1449208399 ZRFQYSLAJHJQAR-UHFFFAOYSA-N 450.564 2.731 30 10 JFEE CC(C)C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC(=O)OC(C)(C)C 1453869087 HAZUWEMKTMUTCW-AEFFLSMTSA-N 451.589 2.735 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn(Cc2ccccc2)c1 1464514692 DILYNMDAEVLAMH-UHFFFAOYSA-N 458.584 2.955 30 10 JFEE N#CCCN(CCN1CCOCC1)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 1476142872 GHVAEAXCTVGCQQ-UHFFFAOYSA-N 456.568 2.740 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(C)nn2C)ccc1OC(C)C 1504078310 GLURCCVNENBFMO-IBGZPJMESA-N 451.531 2.560 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCCC2)c1 1507550827 QFSWQIVOAKZRAG-FQEVSTJZSA-N 467.595 2.737 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC=CCO2)c1 1507551416 DSPACJANVQWDPA-HXUWFJFHSA-N 490.589 2.671 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507627725 TWAPXYWKSHMGJD-ROUUACIJSA-N 487.557 2.837 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1507628979 JGBZDXFOSQQHSU-GOSISDBHSA-N 487.532 2.925 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N1CCN(CC)CC1 1507644007 ZIBIXTIRGGCHIM-IBGZPJMESA-N 469.431 2.806 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nc(C(F)(F)F)cs1 1507644044 ARCUZCNNYRSJHI-UHFFFAOYSA-N 483.483 2.712 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507699958 LQQSDIAUBVCAER-HFSMHLIXSA-N 475.590 2.648 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1nccs1 1507710626 IQAYYUYXXGXZBM-QZTJIDSGSA-N 490.630 2.933 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507745266 WEDGQWCKOUSWRQ-UHFFFAOYSA-N 479.566 2.950 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507829271 VKJOJDJRQKJTEV-UHFFFAOYSA-N 493.381 2.596 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507830619 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C=CCOC[C@@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 105004338 NMINYEOICZVQNU-NZQKXSOJSA-N 492.613 2.904 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccnc2)cc1OC 170356474 JRPKNDNYNFMYDI-NRFANRHFSA-N 495.513 2.529 30 10 JFEE COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n32)c(OC)c1 261146771 OASXKSSRDUUVRV-QHCPKHFHSA-N 465.575 2.797 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3cc(Br)ccc3C)cc2C1=O 501822888 MFURQASPMJJUJL-UHFFFAOYSA-N 456.296 2.908 30 10 JFEE C=CCOc1ccc([C@@H]2N=c3ccc(Br)cc3=C3C(=O)N=C(SC)NN32)cc1 588227373 AZYKDHYEGXNZCK-GOSISDBHSA-N 457.353 2.520 30 10 JFEE C[C@@H]1Oc2ccc(-c3csc(=NC[C@@H]4CCCO4)n3N=Cc3ccnn3C)cc2NC1=O 727972468 UXGRHXVJWGSWJG-YOEHRIQHSA-N 452.540 2.631 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)cc3)cc2C1=O 747482745 ITQGUPFGCNFBDA-IRXDYDNUSA-N 477.517 2.878 30 10 JFEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 749320136 GJWBQQSDDCOAQG-VTPMOLMCSA-N 452.511 2.934 30 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C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2c(C)noc2C)c1 1286307872 BYMDFRLMIHPYKU-MRXNPFEDSA-N 477.569 2.881 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CCC)c1 1286312327 WRGGOKIEYPQJCG-UHFFFAOYSA-N 458.570 2.918 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1286321991 BXBFWMQWLCRBGA-HXUWFJFHSA-N 496.616 2.507 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cccc(OC)c1 1286436278 DROHJCKPXPKZJM-UHFFFAOYSA-N 471.359 2.934 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN(C)C2CCCC2)CC1 1286470459 ZLVLLWRRHNSLAT-UHFFFAOYSA-N 463.630 2.777 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)c2ccccn2)CC1 1286484506 PJAHXQTZRDLQDO-UHFFFAOYSA-N 460.582 2.994 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)c2cccs2)CC1 1286488806 USVFHKARLYQXMY-RUZDIDTESA-N 485.654 2.935 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(COC)CCC2)CC1 1286491547 WWXYSIDXTBNRON-UHFFFAOYSA-N 453.562 2.791 30 10 JFEE 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C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1690432297 AJULSVOUOBXUGE-SFHVURJKSA-N 451.593 2.751 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690500023 JFVVYDMMPYXOPU-SFTDATJTSA-N 455.559 2.802 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690507647 RQSBFMWMRSPUQB-RTBURBONSA-N 476.622 2.905 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690748817 IEJSEYXXZFEYKK-KRWDZBQOSA-N 455.675 2.957 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccnc1N1CCOCC1 1705474833 FZHMOANBKJDBGX-HXUWFJFHSA-N 473.581 2.885 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705559871 BOXLHJNPXURBJL-HYHKQLJDSA-N 488.635 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1705600880 OOGJNLIXKYYIQH-XMMPIXPASA-N 474.609 2.709 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(N2CCOCC2)CCSC1 1705606522 WGJFLJSUPTYVRT-OAQYLSRUSA-N 493.475 2.714 30 10 JFEE 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C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705717768 RHTQFYGVYYXAPN-OAHLLOKOSA-N 477.578 2.743 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705731659 ZVQAHMWCEHHLKA-FUHWJXTLSA-N 452.552 2.773 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1705779175 YQMJQHWNTKFYLK-UHFFFAOYSA-N 468.602 2.529 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705876459 YKUOYOHYYOQHMH-ZWKOTPCHSA-N 465.620 2.758 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705908331 NVHJDYHGDQPAJG-GLDPYIMESA-N 471.627 2.954 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705939326 CTOCTINLPXPGKX-UHFFFAOYSA-N 471.587 2.668 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn2ccsc2n1)S(C)(=O)=O 1706081842 HLTPVXXPQSYMFP-CABCVRRESA-N 469.596 2.832 30 10 JFEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)no1 1707293179 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467.639 2.554 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300604859 PKJJWFJIOYPHFR-OAHLLOKOSA-N 473.350 2.979 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1300666384 XZYKQUANSNAOSN-YADHBBJMSA-N 467.570 2.772 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCN(C(C)C)CC2)CC1 1300684019 WDGUJNBFBKETHL-OAQYLSRUSA-N 484.620 2.548 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccco2)N(C)C)CC1 1300722538 KPGOMAUSDVPTFI-OAQYLSRUSA-N 461.570 2.510 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCSc2ccc(C)cc2)CC1 1300725762 JSZHIWIMEDXIRX-HXUWFJFHSA-N 453.612 2.849 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(CC)o1 1300733987 PAPGIXOCSRDJAG-RDJZCZTQSA-N 451.618 2.752 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300770615 VRZYQBFZTQOXHI-UHFFFAOYSA-N 496.681 2.666 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](CNC(C)=O)C1 1300881565 PVOPILUOUFKKAR-UEXGIBASSA-N 459.978 2.921 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301056384 AMHGKNBVMCATME-UHFFFAOYSA-N 467.961 2.739 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCn2cccn2)CC1 1301072499 JOIRXTSRWRCHGE-UHFFFAOYSA-N 455.588 2.639 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2CCCC)CC1 1301106250 SFQNHIZWHNOXLU-QUCCMNQESA-N 452.669 2.945 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)c1ccccc1 1301165729 JHPQDJUDGMZYMG-CEWLAPEOSA-N 472.615 2.567 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1301339275 KZPXMPCSBCQGPW-DEOSSOPVSA-N 477.613 2.748 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301606128 JNMQDZGDRFRKKD-UHFFFAOYSA-N 450.547 2.992 30 10 JFEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(F)(F)F)c2)C1 1302978197 HIFHVNMLRSQGOD-HNAYVOBHSA-N 452.412 2.661 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1303066518 IDURJNKQZUCURS-UHFFFAOYSA-N 463.586 2.501 30 10 JFEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1305028235 DUAKUZDKVBVVDF-WOJBJXKFSA-N 467.618 2.810 30 10 JFEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1306783530 IFCURHSQZGFLQD-JOCHJYFZSA-N 451.619 2.707 30 10 JFEE C#CCCCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1358936698 VCODESCZVVWHBF-XMMPIXPASA-N 452.534 2.681 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358960487 FVOLRZRVAISUID-HXUWFJFHSA-N 457.600 2.564 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358964860 IPJJXIYWAWWWRF-JBACZVJFSA-N 456.612 2.940 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCCS1(=O)=O 1358969698 USDLZFUTHRHCOE-SIKLNZKXSA-N 470.595 2.857 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1359038850 MYAHQPSOLQWJTR-SFHVURJKSA-N 458.994 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)N(CC)CC)CC1 1359046258 KKPGCDQRTPWWDJ-OAQYLSRUSA-N 450.631 2.873 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359050513 SZHYCJGNGZVBOL-AEFFLSMTSA-N 476.672 2.774 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1359057035 QKJFFDHYCUZCTD-QFIPXVFZSA-N 488.702 2.799 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1359093105 KDIPAYLCNHUUPB-PGRDOPGGSA-N 499.612 2.915 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359219027 DMDAWPMRILHYRL-QGZVFWFLSA-N 482.614 2.633 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359225672 HCPIGKUKRAGHKJ-GOSISDBHSA-N 479.585 2.880 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1359272208 NKLJUEBCTLDSGU-WOJBJXKFSA-N 479.647 2.671 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1359281771 JDNRJBGHFILMHU-IBGZPJMESA-N 459.595 2.813 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1359300894 MFKOBBMOYIIGIS-GHTZIAJQSA-N 459.978 2.688 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CC[C@H]2C3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359335548 OHYYXUXTEWDLHC-FJIDUMEYSA-N 465.620 2.638 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359341979 LYIIAVZGBVWKIV-QGZVFWFLSA-N 498.700 2.715 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1359647541 BVMXYSKGFIKEJU-VWLOTQADSA-N 452.603 2.772 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN1S(C)(=O)=O 1360762183 BILLUANDDNOXRE-YESZJQIVSA-N 464.567 2.720 30 10 JFEE COc1cccc(O[C@@H](C)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1361105949 BQAQABUWHNTCNT-KRWDZBQOSA-N 457.552 2.551 30 10 JFEE Cc1c(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cccc1S(=O)(=O)NC1CC1 1465687966 BUHFMBMNSLAQBL-UHFFFAOYSA-N 457.531 2.801 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507629989 SIZDKHVBIZGSRQ-LJQANCHMSA-N 457.600 2.706 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1507630222 UXKSKRLLICFAQI-KRWDZBQOSA-N 473.986 2.621 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1507633302 FSSOUUHJUYOFKM-IBGZPJMESA-N 474.627 2.949 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507634366 JZCWOMMKWBCHTG-NRFANRHFSA-N 475.684 2.679 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCN1CCOCC1(C)C 1507709285 SNCSWNZSGQXQNQ-UHFFFAOYSA-N 476.419 2.904 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1507733320 UGPZXXITSRLETK-FQEVSTJZSA-N 465.558 2.618 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1507752359 ZJEIPCYOIFLWKO-IYWMVGAKSA-N 491.658 2.814 30 10 JFEE C=C(Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1507851602 UCRPLDVYCXHZRF-UHFFFAOYSA-N 450.612 2.902 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1507898592 ZHZXJWVWHQWSHW-QGZVFWFLSA-N 494.662 2.858 30 10 JFEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507905002 QODIBPQOZYRFKI-OAQYLSRUSA-N 471.675 2.979 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507910606 WSGCBJMFUPYHLZ-HXUWFJFHSA-N 466.634 2.744 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1508078803 JIFZGRKCTXDIHP-QGZVFWFLSA-N 450.509 2.958 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508117797 SFXZOWQQFYZBRI-BIBRTQAFSA-N 498.971 2.915 30 10 JFEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508816207 CZTDTGLIPXGJNP-LJQANCHMSA-N 467.574 2.692 30 10 JFEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1517543589 FXGVOCBDHOGYHX-UHFFFAOYSA-N 458.570 2.679 30 10 JFEE COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)N(C)C)c1 1518348364 AFRXITPPKPMTIG-SQJMNOBHSA-N 465.602 2.842 30 10 JFEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)c1ccc(F)cc1 1528462863 RECCJFMRAUEFDH-FQEVSTJZSA-N 459.499 2.934 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2csc(COC)n2)c1 1539043259 OLYCUSASSAZGPR-GOSISDBHSA-N 480.594 2.880 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2nccs2)c1 1539045396 DKBDRJFAJHGKQA-UHFFFAOYSA-N 491.602 2.831 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539212579 RBGVCAZIOUKSJA-QGZVFWFLSA-N 493.420 2.855 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1539230650 ONOLFVINXSVYTD-FQEVSTJZSA-N 474.627 2.773 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(NC(C)=O)nc1 1539258194 TUZYHGQCBNWLGU-UHFFFAOYSA-N 450.506 2.605 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCO[C@@H]1C 1539385339 YPWIMUFHKSVPAS-NGXZDTIWSA-N 472.561 2.638 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C2CC2)N(C)C)CC1 1539441518 RRDRQKRKCOYKCT-FQEVSTJZSA-N 457.420 2.803 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(C)sc(C)c2Br)CC1 1539444794 UFBJXSUNTKNWMV-UHFFFAOYSA-N 474.432 2.923 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539519178 DNSGXUVLKDFYEW-MRXNPFEDSA-N 468.595 2.917 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1539629738 YCKWNDSVXWFQEZ-MMOPVJDHSA-N 485.614 2.505 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1539977577 PRAQXKGHITZXIW-IBGZPJMESA-N 487.630 2.722 30 10 JFEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)cc1 1540068688 WWONMKKXRVFXFE-GOSISDBHSA-N 459.547 2.696 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1540140532 XOFPABCQIASVAF-UHFFFAOYSA-N 484.620 2.968 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1540170550 OWPKSOKCTRGVDX-FQEVSTJZSA-N 457.600 2.521 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3ccccc3)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1540909057 WCBIPFYILXDBLO-ZCVJKFOLSA-N 474.627 2.913 30 10 JFEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1)NC(=O)OC(C)(C)C 1541239052 CDQKTFWVAORXDB-IBGZPJMESA-N 479.585 2.931 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@](C)(O)c1ccsc1 1541472337 FTICFQWHTWGGMY-GAJHUEQPSA-N 466.615 2.823 30 10 JFEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)N1CCOCC1 1541837541 CJNLWRIXVNUSGI-RBBKRZOGSA-N 493.656 2.916 30 10 JFEE Cc1nnsc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1542117864 BKPVQBKYWFNRIT-INIZCTEOSA-N 465.461 2.705 30 10 JFEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cc1ccc(F)cc1 1548371127 WNSRZGKXXAQBGM-NRFANRHFSA-N 492.473 2.739 30 10 JFEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCc1ccccc1 1548372438 FFOMSLOMYADOQE-QFIPXVFZSA-N 488.510 2.990 30 10 JFEE CO[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1554590982 DWOTXJWXRDFPRX-LJQANCHMSA-N 474.569 2.775 30 10 JFEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)cc1 1554978784 FUXHSBPGNIWYPT-VXKWHMMOSA-N 454.575 2.715 30 10 JFEE CS(=O)(=O)CCCn1c(Cc2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1555803935 FONCGALVPCIHPU-UHFFFAOYSA-N 462.579 2.864 30 10 JFEE C=CCOc1ccccc1CNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1564062776 AIZJAKDWOGNZAZ-SFHVURJKSA-N 459.543 2.803 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccnc(OC(F)F)c1 1587615201 RWDWYBXRUBDDJT-AWEZNQCLSA-N 475.525 2.741 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCCc1ccccc1 1587676985 ABFVSBFQRSZPFJ-NRSPTQNISA-N 480.613 2.866 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nc(CC)ns2)CC1 1587823544 UTTZCPBIRDNSQD-UHFFFAOYSA-N 485.639 2.503 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1588139603 QAVOLKXIROIVOQ-XLIONFOSSA-N 451.527 2.777 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(CNC(=O)C2)C1 1589026871 JQPGNFUTVVMUIY-FQEVSTJZSA-N 478.391 2.930 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1589116476 JXSWNJWZCUNGJT-MBSDFSHPSA-N 458.584 2.616 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1nc(O)c2ccccc2n1 1589134148 GXSVNJBGDRLOHA-JXFKEZNVSA-N 468.583 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C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1690537910 XCPOSBCXMQRZMT-KSZLIROESA-N 452.669 2.800 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncccc1C 1690558541 UGLOKWHJXRALAK-GOSISDBHSA-N 465.583 2.704 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C(C)C)C1 1690684824 PFHKXBZUXMEAPV-FQEVSTJZSA-N 454.575 2.701 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](C)C1 1690717466 GZQWUXXEZHLEFY-GFCCVEGCSA-N 460.423 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1690731123 AEHZISJTHZAZQT-NNMXDRDESA-N 452.621 2.548 30 10 JFEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1692548167 AHZHNJVHMNJORT-UHFFFAOYSA-N 477.613 2.960 30 10 JFEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1696174731 CWUQWAGSJPYUIP-IAGOWNOFSA-N 468.583 2.917 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(=O)OC)CC2)C[C@H](C)O1 1697893153 FJIWQAGGJVYHBY-UWJYYQICSA-N 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C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2sc(C)nc2C)CC1 1286485688 UUWWOLQCXLHLTL-KDURUIRLSA-N 485.658 2.926 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCS1(=O)=O 1286573279 IHYVRRRDZHDUBY-KRWDZBQOSA-N 480.660 2.608 30 10 JFEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286597586 UEKNHXQSZFPSFS-UHFFFAOYSA-N 458.582 2.953 30 10 JFEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)C(C)=O)CC1 1286709584 YJRANGVJJGJNOI-UHFFFAOYSA-N 455.559 2.756 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCO[C@@H](C)C1 1286716256 CEDUTPASJMNALN-SFHVURJKSA-N 475.663 2.670 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[C@H]3OC(=O)O[C@H]3C2)cc1 1286795342 YTPPSXWRKPOODB-UXHICEINSA-N 469.542 2.924 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 1286810550 SQYWTMUGQRSDSW-HLIPFELVSA-N 495.596 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)C1 1286813699 ABNIBNBPUGCQSR-LJQANCHMSA-N 466.567 2.520 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@H]1C 1286815547 WXCYYWNLWQOYBV-GFCCVEGCSA-N 461.407 2.595 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1288124442 CPZUNTFUOCQAGC-FQEVSTJZSA-N 469.537 2.706 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccccc1CC 1300364960 PGOYQRAQKTTWMY-LJQANCHMSA-N 457.600 2.621 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300377742 YQBFDHLTVBZKTB-SANMLTNESA-N 481.597 2.790 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300502501 VTJYGJFIJQXBHU-FUDKSRODSA-N 485.654 2.732 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1300595162 ILDIBNIPGHOTJP-CYFREDJKSA-N 457.575 2.619 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1300718804 FSOSRFXKSGEAEB-UHFFFAOYSA-N 488.621 2.980 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1301002203 WQWFAIOVESFGBT-ROUUACIJSA-N 462.595 2.610 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1301187813 CHKCTXJRAXBXFU-JAXLGGSGSA-N 489.690 2.789 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301481214 JJUCFDPNUSDVCP-LAUBAEHRSA-N 483.548 2.654 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1301483985 YWNHOVMRQKWOOR-SFHVURJKSA-N 468.602 2.575 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301490412 SRFCMRZNBCYUBX-CQSZACIVSA-N 472.398 2.568 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301529607 NNRCJTQHCZHICR-BGYRXZFFSA-N 465.602 2.837 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@H]2CCCC[C@H]2C)C1 1301557719 RCSXNBLNMACROQ-WTGUMLROSA-N 452.621 2.557 30 10 JFEE C#CCN1CCC[C@H](NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1 1303558402 ZJBFXMPTZRQIQS-NRFANRHFSA-N 459.999 2.745 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)c1 1307694170 MAUZPLCNUJBDJU-KRWDZBQOSA-N 454.552 2.549 30 10 JFEE C=C[C@@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1349042487 PXAWPOYJCFRKDH-INIZCTEOSA-N 451.408 2.572 30 10 JFEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)c1nccs1 1355156609 SAFDPFNWSJWEOL-UHFFFAOYSA-N 454.371 2.970 30 10 JFEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358916438 LIZUWFKVVMNNOG-UHFFFAOYSA-N 492.624 2.548 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1358926745 AGWWUUFZFGQCNB-GOSISDBHSA-N 475.597 2.737 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCN(C(=O)OC)CC1 1359020149 SQLCSASWCSZSMA-UHFFFAOYSA-N 477.569 2.900 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1359031837 RGZCRJMQLKYKCB-JTHBVZDNSA-N 485.654 2.555 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCOCc2ccccc2)CC1 1359046507 UNRKBYMYCQVABK-UHFFFAOYSA-N 478.622 2.816 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359118238 WZQFMSIKUKVIRT-HNNXBMFYSA-N 482.390 2.999 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC(C)C)CC1 1359122250 HGEUETAYUYGCEA-FQEVSTJZSA-N 478.638 2.710 30 10 JFEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359198542 SYBJWKUNLYAYHD-KRWDZBQOSA-N 473.647 2.960 30 10 JFEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359224707 AFJITOQOLURILP-UHFFFAOYSA-N 452.481 2.828 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cccc(F)c1 1359326616 FKYQMQPFGIPEEK-IBGZPJMESA-N 461.563 2.596 30 10 JFEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 1359342394 WPZJDQPZODSBSU-KRWDZBQOSA-N 469.677 2.881 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1359342596 AWNRCXZMKPIFBB-SFHVURJKSA-N 494.662 2.564 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C#N)CC1 1359345444 GOMKIVNDQHVEMX-UHFFFAOYSA-N 494.650 2.782 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1359562467 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1507634370 JZCWOMMKWBCHTG-OAQYLSRUSA-N 475.684 2.679 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507638795 SVQTYWBIJMQOQM-BRWVUGGUSA-N 492.564 2.750 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC[C@H]1CC 1507653565 ZKIKMCNFTPXJOZ-FGZHOGPDSA-N 484.645 2.924 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCCCC1 1507699279 DGPIZYGAMKHGSO-LJQANCHMSA-N 476.622 2.543 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCn2cc(C)cn2)CC1 1507723107 VEIOKCNFHHQERY-UHFFFAOYSA-N 454.376 2.668 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCSC2)CC1 1507740585 NWCOORWCPNSHRC-KRWDZBQOSA-N 457.575 2.715 30 10 JFEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1507783870 FHUVUSZQPVAHFB-KRWDZBQOSA-N 482.404 2.522 30 10 JFEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507830192 WZDICCDHTZJTBW-GOSISDBHSA-N 499.641 2.578 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](COC)OC)CC1 1507902976 QPTNEXWDDWGSPJ-RTBURBONSA-N 465.595 2.650 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507930038 XWIATWVXFIFLIP-UHFFFAOYSA-N 465.562 2.685 30 10 JFEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507939304 LFANNVUKSDBZNB-SJORKVTESA-N 457.531 2.872 30 10 JFEE C=CCCOCCn1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1507966912 ZDQRPWFBWIOKAY-DFIYOIEZSA-N 491.633 2.826 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508092190 OXQRYGCFPLTXJX-IBVKSMDESA-N 483.613 2.975 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1508169324 IBUOQTCNBTUSQJ-QHAWAJNXSA-N 476.691 2.675 30 10 JFEE CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1508645495 GYPIXFKWOOLBQW-HXUWFJFHSA-N 468.558 2.726 30 10 JFEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1516087505 FLGUKYGULVXZOY-FQEVSTJZSA-N 479.629 2.765 30 10 JFEE CN(C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1)C(=O)OC(C)(C)C 1517227839 DMEFLVROACIOIF-GOSISDBHSA-N 477.573 2.687 30 10 JFEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1518100067 DWAJIDLOBIJHAZ-YJBOKZPZSA-N 452.481 2.813 30 10 JFEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)c1 1533239293 DEPCVRHORMKYCR-UHFFFAOYSA-N 458.312 2.936 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2nc(C)cs2)c2nc3ccccc3s2)C1=O 1534701343 AKMXBDMZDYGLDA-UHFFFAOYSA-N 455.521 2.571 30 10 JFEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1=O 1537881659 IBVRDSSIMMRMLP-QUCCMNQESA-N 452.942 2.938 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539132092 DGSIYTKTDPUZDP-INIZCTEOSA-N 458.588 2.786 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1539145714 PYCMGIPGAHTUAX-NRFANRHFSA-N 459.554 2.841 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1539224286 DVYACUJPGLHVDV-XMSQKQJNSA-N 456.612 2.739 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539231234 UCJIVCWWJFGGTO-XMSQKQJNSA-N 481.018 2.544 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCCCC2)c1 1539392326 PKPQFQCCZDBIBL-UHFFFAOYSA-N 466.586 2.755 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Br)cc3)n2CC2(O)CC2)n1 1539424438 PUQIRPZKCALJHB-UHFFFAOYSA-N 485.386 2.715 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(Br)c2C1 1539516691 AKEFUQBAVSQYFC-MRXNPFEDSA-N 495.468 2.872 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539518340 YEKDLCKHXBEIOY-FCHUYYIVSA-N 483.663 2.877 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539688812 PUBBTHYHXROLJT-HXUWFJFHSA-N 454.531 2.858 30 10 JFEE C=C(C)Cn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539723658 WVPHDCIZCCMTRF-RUZDIDTESA-N 471.577 2.925 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CNC(C)=O)CC1 1539728680 KUMXHQWTNKYQAJ-UHFFFAOYSA-N 465.396 2.981 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1539831625 KMXDNTPBKJCHCD-AABGKKOBSA-N 461.586 2.505 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1539836461 UMBMJVKGFDPDDL-QGZVFWFLSA-N 467.542 2.776 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1540137980 XPHZINVLFCAKPF-CVDCTZTESA-N 493.674 2.949 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(C)C)CC1 1540864897 OLBLGVGNLCKFLO-UHFFFAOYSA-N 465.371 2.679 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([S@](C)=O)CC2)C1 1540883993 IMEBUGREMSTTGQ-PWFNWSNSSA-N 454.394 2.728 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(F)(F)F 1540901536 HCMNIAHPXJVCKV-UHFFFAOYSA-N 454.478 2.730 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1540909820 PYCIMPSNCLTVBP-QGZVFWFLSA-N 457.666 2.737 30 10 JFEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1cccs1 1541954063 BFCRNWXQWGSZJA-XMSQKQJNSA-N 471.608 2.799 30 10 JFEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1545145008 APGZWYAPCWDJLZ-KBMIEXCESA-N 452.603 2.915 30 10 JFEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cccc(F)c1 1548371083 MDLNUVJDJGFRIX-FQEVSTJZSA-N 478.446 2.810 30 10 JFEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1554198284 FPFHXSINTXHEDX-UHFFFAOYSA-N 482.036 2.866 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCC(C)CC1 1555107249 IBBVRQIGYTXIEY-PMACEKPBSA-N 454.575 2.715 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2I)c1 1566206177 JGCRXRZZJKERAM-UHFFFAOYSA-N 458.252 2.594 30 10 JFEE C=CC1(CC(=O)N2CCC[C@@H](Oc3ccnc(C(=O)NC)c3)C2)CN(C(=O)OC(C)(C)C)C1 1569955653 YKEYJQOCGLJRCY-GOSISDBHSA-N 458.559 2.624 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnc2n1CCC2 1587581236 YLMNSTDCLPGGTK-CYBMUJFWSA-N 456.348 2.760 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1587598869 HZFPRXVDNHEGPO-GJZGRUSLSA-N 481.416 2.999 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2nccnc2C)c1 1587696868 BVVCSVYIIPJRHO-UHFFFAOYSA-N 483.580 2.537 30 10 JFEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1587765179 BXLVAESEGDEMNC-ZRBLBEILSA-N 470.662 2.793 30 10 JFEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588058896 FCIVKDUHXAGFAI-QAPCUYQASA-N 484.500 2.760 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588059127 JIFIELPIZFSILJ-VQTJNVASSA-N 477.030 2.964 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588064612 LLIOVOWKUPSAAE-OAQYLSRUSA-N 483.619 2.564 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC(F)(F)F)cc1 1588078457 HOBKVLKMSTXLMQ-UHFFFAOYSA-N 454.412 2.945 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCN(C2CC2)C1 1588189800 RVJICFMSDSTOGG-LJQANCHMSA-N 463.582 2.918 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1588200609 XGRIBDRZBLWVKI-NBGIEHNGSA-N 450.539 2.763 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1588968777 QDIDENLCRXVVQO-INZIPBBXSA-N 459.641 2.815 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1589150673 IORZOTHMFDZNPC-VIICAESSSA-N 467.614 2.895 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589556224 AYQRPLXJEDXYQI-ATIYNZHBSA-N 496.656 2.505 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1593741468 PXWNCLXUWMVEPN-OAQYLSRUSA-N 489.642 2.666 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1)c1ccccc1 1593782153 IDZPKWVTQBRUNR-GOSISDBHSA-N 481.626 2.625 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594511397 QFPMQHWXLGXTPA-HNNXBMFYSA-N 452.650 2.706 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1594687443 RQMCYLKNMGBNNP-UHFFFAOYSA-N 465.396 2.981 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1595161879 OHDWZIWNLGEFAM-FQEVSTJZSA-N 488.639 2.617 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nc2ccccc2s1 1595569494 IAWQNCIISXAXLZ-UHFFFAOYSA-N 450.572 2.688 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1595789166 OHIGZXBBXUGHCX-HXUWFJFHSA-N 454.556 2.686 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@H](C)C1 1613322476 DUUHUOWHFHZLLP-UFYCRDLUSA-N 451.623 2.900 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1614028496 GCNDZMYUQXMWNB-ZWKOTPCHSA-N 483.621 2.863 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1614908530 BUWSFBNREJNZFC-BJKOFHAPSA-N 493.656 2.916 30 10 JFEE N#Cc1cn(CC(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c(=O)nc1O 1622438092 GBHBCYGLEYDBHQ-SFHVURJKSA-N 457.259 2.628 30 10 JFEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 1627692090 GFIZOYZSZJQNAZ-UHFFFAOYSA-N 458.328 2.744 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)C1 1634107536 DWNOYGJWVACCFZ-MJGOQNOKSA-N 457.531 2.662 30 10 JFEE C#CC[C@]1(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)CCCN1C(=O)OC(C)(C)C 1634708157 LZDUJSVFDJWKEI-JLTOFOAXSA-N 455.481 2.812 30 10 JFEE C=C(C)C[C@@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1636700823 XKVIEBOAZXBQNY-INIZCTEOSA-N 459.499 2.937 30 10 JFEE C#CCN(CC(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)C(=O)OC(C)(C)C 1639741250 ZJQYNIZAVVTDDB-MRXNPFEDSA-N 455.477 2.597 30 10 JFEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)[C@@H]1CCCc2ccccc21 1647736510 IYIAXSWAXPCLSH-JOCHJYFZSA-N 454.548 2.681 30 10 JFEE N#Cc1ccccc1N1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 1671479957 DMBUHARKICYTPU-UHFFFAOYSA-N 454.556 2.528 30 10 JFEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](CO)c3cccc(Br)c3)C2=O)cc1 1681300340 FYQNOCWZTIPFQH-OALUTQOASA-N 457.328 2.849 30 10 JFEE CCCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c1 1681530593 AHOVWCZFJXHLGY-UHFFFAOYSA-N 456.568 2.872 30 10 JFEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)C2)cc1 1682368957 HVNBZFHBHSEOEH-VXKWHMMOSA-N 454.552 2.549 30 10 JFEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CC(=O)N1CCOCC1 1689901564 MUBXBVAVQPJBEF-UHFFFAOYSA-N 490.402 2.718 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1689928495 PJHSBHVBWHQKBZ-RBUKOAKNSA-N 458.607 2.898 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689988966 ZQROAZBCVANXIW-HXUWFJFHSA-N 471.627 2.872 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1689990295 NLRHVHQYSGTZTR-NHCUHLMSSA-N 472.611 2.634 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1689998394 LDLUENMNAVTSGB-FQEVSTJZSA-N 497.646 2.957 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(=O)N(C)C)CCCC1 1690005120 SKBWILWXYYDBNO-UHFFFAOYSA-N 479.581 2.692 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1scnc1C 1690025541 VIOWQGVTBJYWSD-UHFFFAOYSA-N 473.650 2.723 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCC[C@@H]2C)CC1 1690139967 GPPZUCDDIZFQFS-FQEVSTJZSA-N 494.640 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2OCC[C@H]2C)CC1 1690152740 WJZVDAQDPZBKMP-AUSIDOKSSA-N 465.598 2.810 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690163349 BQBDDUGDYCSKEA-FPOVZHCZSA-N 458.584 2.713 30 10 JFEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690231832 PTVQNRJTPSWXSJ-FUHWJXTLSA-N 460.376 2.695 30 10 JFEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690313468 VIASWZFCRRIDSQ-QFBILLFUSA-N 495.502 2.888 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690437533 HAOGUYATLQUBMQ-DEOSSOPVSA-N 498.720 2.973 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1690485333 PULGYUWSRCHETQ-LJQANCHMSA-N 467.636 2.507 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1690581821 YZSRLMKLOGOBIY-MBDNFAEBSA-N 456.635 2.538 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1690661003 SKBALYHURHWRGV-UXHICEINSA-N 468.602 2.832 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1690668872 MIPILSZPZDFQNO-QGZVFWFLSA-N 463.586 2.850 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1690752701 OOKFXVOJRDHEAB-MOPGFXCFSA-N 478.663 2.790 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOCC(C)C)C[C@H]2C)CC1 1690864614 VHLRDAIIJHYUFR-BWKNWUBXSA-N 493.656 2.868 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1691315430 HDRWOUMXBITMHK-MRXNPFEDSA-N 482.404 2.650 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCC(=O)Nc3ccccc3)CC2)c1C#N 1693405942 GXEMAKUYOAKVFQ-UHFFFAOYSA-N 461.574 2.671 30 10 JFEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)C(C)C)CCO2)n1 1693436437 FYUQHSSPXLDIOD-QHCPKHFHSA-N 462.602 2.876 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C1CCCCC1 1694126037 GCTCKWVYKNURHV-MOPGFXCFSA-N 479.633 2.959 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1694342905 FBAXNYPMFFRKAJ-XMMPIXPASA-N 461.574 2.956 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@]2(O)CCO[C@H]2C)c1 1705508571 YDZVJOKZHFBIQM-BVZFJXPGSA-N 451.571 2.607 30 10 JFEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)CN1CCOCC1 1705531541 NDSUJDBOMIMTJW-UHFFFAOYSA-N 491.640 2.883 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCn1cc(Br)cn1 1705583199 SCDAPVXAJAJFCL-LJQANCHMSA-N 467.327 2.523 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCSC1 1705597460 GIAFJCQHRXKKBE-RBUKOAKNSA-N 459.616 2.803 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC(=O)NCc1ccco1 1705620361 RECAOMQLHDCZJV-UHFFFAOYSA-N 458.497 2.952 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)OCCc2sccc21 1705622214 AYNTZHXQZTZQHN-RPWUZVMVSA-N 474.627 2.954 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705633274 NJAHOLVIUGNUBZ-GMAHTHKFSA-N 494.640 2.831 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1705633419 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C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COC 36308975 PPKQUPLSCGXPOW-AVRDEDQJSA-N 460.596 2.757 30 10 JFEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCC)s3)n[nH]2)c1C 59831227 ACDRPRVIGZKBDN-QGMBQPNBSA-N 478.633 2.944 30 10 JFEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1Cl 72444255 UMPHLLCMPOAWNW-DZGCQCFKSA-N 476.320 2.644 30 10 JFEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(OCC)cc2)cc1 102586278 TVDLCZMYKSWQSC-VFJWVMJUSA-N 455.507 2.915 30 10 JFEE CCCn1c(=O)[nH]c(=O)c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cnc21 103243644 AGUGZEJDYXFNHW-ZDUSSCGKSA-N 460.277 2.763 30 10 JFEE COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCN3CCOCC3)C2=O)c1 254296646 ZPMCCDCDCUNCGJ-JOCHJYFZSA-N 498.605 2.996 30 10 JFEE C=CCOc1ccccc1[C@@H]1c2c(O)nc(N3CCC[C@H](C(=O)OCC)C3)nc2NC(=O)[C@H]1C#N 256032913 KFVCLNXQJOIIRG-IEZWGBDMSA-N 477.521 2.750 30 10 JFEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1[C@@H](C)c1cccs1 608829696 IBKLKEFUPQGGEC-KRWDZBQOSA-N 467.616 2.626 30 10 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494.640 2.973 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286387786 ICGQXPHNRJZKBP-CTNGQTDRSA-N 480.638 2.850 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286395235 RSIZBYUNBRQHKZ-GOTSBHOMSA-N 469.655 2.678 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CCC2(O)CCC2)CC1 1286493903 HTLIDDBIBMHYFW-UHFFFAOYSA-N 483.638 2.850 30 10 JFEE C=C(Br)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1286548245 VEXUVVYEQILKJP-MAUKXSAKSA-N 467.456 2.863 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286701396 YXZAKPQPNVHWCO-IPMKNSEASA-N 474.606 2.610 30 10 JFEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286702175 MKCKSXUMMHTRGT-UHFFFAOYSA-N 471.631 2.733 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1286765373 DPIQZBRRFZHHRJ-UHFFFAOYSA-N 475.615 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286816176 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C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCOC)CC1)c1ccccc1 1539759991 QMRUEYUEGRCUAF-UHFFFAOYSA-N 480.613 2.597 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(SC)c1 1540199071 VJBPZIUSWMHWLZ-UHFFFAOYSA-N 477.594 2.996 30 10 JFEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1540690893 SBOHLBQMFCDDCJ-LJQANCHMSA-N 451.589 2.769 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)CN(C)C 1542054209 IFUHLVPANKHBRH-JOCHJYFZSA-N 476.626 2.576 30 10 JFEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1)N1CCC[C@@H](C)C1 1544066999 GTPFSCJBJPRKCO-DXIQSLLYSA-N 470.643 2.809 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1546810442 FCGBONUJNMYTGL-GMAHTHKFSA-N 477.613 2.960 30 10 JFEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1547432857 BYKBOAPJBNGUMR-HXUWFJFHSA-N 489.628 2.884 30 10 JFEE CN(C)C(=O)[C@H]1CC2(CCN(C(=O)c3ncccn3)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548381809 IJVFNVJJOJWESP-LJQANCHMSA-N 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2.655 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1588733639 XDNFBBBKCBPHTO-LEWJYISDSA-N 450.587 2.575 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1588791538 YQMGCZKOPOSJEH-UHFFFAOYSA-N 475.597 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)OC)CC1 1588898895 HHCPUSGSAJQCCD-CYBMUJFWSA-N 466.405 2.770 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1589545342 NICABMWGZDICPY-FSSWDIPSSA-N 489.642 2.537 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1589658321 YEZJQLJDPMJIKF-UHFFFAOYSA-N 473.647 2.822 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1593711491 DPJBWXNNCIMTLL-NHCUHLMSSA-N 489.642 2.651 30 10 JFEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1595411530 WZDGNXZJTAYWHT-UHFFFAOYSA-N 468.023 2.585 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2NC(=O)CC2(C)C)C1 1595681818 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CCO[C@@]1(c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCCC(C)(C)C)CCOC1 1547913902 AKCOARWITKWMJR-VWLOTQADSA-N 484.649 2.997 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Cl)cc3)C2)cc1 1557284069 QGGDTOIFEHGCBU-VQTJNVASSA-N 462.955 2.833 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587673608 QRZQQMBSCXCXHZ-OALUTQOASA-N 476.585 2.824 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCc2nc(C)no2)c1 1587689602 MWNJXWBVWLMKDZ-UHFFFAOYSA-N 456.510 2.721 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1587705430 DGFPTHSXSBBMEC-APWZRJJASA-N 466.007 2.923 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNC(=O)c1cc[nH]n1 1587909176 FNCJLPHBZBNXJT-MRXNPFEDSA-N 455.950 2.911 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1588029468 IICFMWNMYMJKFB-HXUWFJFHSA-N 474.627 2.666 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588059557 QFULVVHGEODXJN-ZVDOUQERSA-N 474.602 2.840 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)CC 1588550137 IYCBPSVDLGSOHV-UYAOXDASSA-N 461.607 2.689 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)nc1 1588695926 JYSBIOFDUSOJNZ-BGYRXZFFSA-N 483.617 2.644 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1588752448 SMLRZYXJNFXPAS-UFPGJGBJSA-N 473.662 2.915 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1589027668 PVJAVYWJKQCCOA-SFHVURJKSA-N 457.991 2.770 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1589069732 NBSCMTAQBDLXTO-OALUTQOASA-N 461.657 2.720 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1594483908 HXGSRQGYVIBWPW-UHFFFAOYSA-N 494.687 2.854 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1C 1595550655 GPYZOMLOAGWETB-FQEVSTJZSA-N 484.601 2.834 30 10 JFEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1595871318 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461.408 2.720 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690241357 RFNJEHFHGZZXJG-WIOPSUGQSA-N 496.656 2.925 30 10 JFEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690292666 KOUDVHDUHBRLRE-QFIPXVFZSA-N 473.643 2.660 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(COc2ccccc2)CC1 1690328012 CNKWNLYTCUMUGN-MRXNPFEDSA-N 453.996 2.936 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(OC)CCOC2)CC1 1690411467 MUZJPICTBJZRDR-DVECYGJZSA-N 477.606 2.794 30 10 JFEE C=CCCCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1690496819 ZLZYSDXVSHEWRS-DEOSSOPVSA-N 457.550 2.998 30 10 JFEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690504068 XBZRVTFDIUGYDX-UHFFFAOYSA-N 470.593 2.811 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690632679 KNCXPOQCCWJPAS-HNNXBMFYSA-N 499.431 2.932 30 10 JFEE C=CCn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690653312 LRFDCNMTOKRJAD-VWLOTQADSA-N 454.619 2.763 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(=O)N(C)C)CCCC2)C1 1690688482 WGRNSOTZIRQXMN-NLFFAJNJSA-N 475.634 2.749 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOC(C)C)C1 1690696933 LXQJJTJXRXRTDL-GOSISDBHSA-N 452.559 2.788 30 10 JFEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1)OC 1693956865 FHVPNDBORSHVEA-UGKGYDQZSA-N 467.618 2.524 30 10 JFEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@H]1C 1695813374 GASCMYYMGVPGNH-RBUKOAKNSA-N 453.591 2.516 30 10 JFEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705514546 ADAFSOMHPQLMNV-SFHVURJKSA-N 497.625 2.505 30 10 JFEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705522902 OJNPGCWPUICVFK-NHCUHLMSSA-N 472.634 2.574 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705532759 QTERXHFMOAZNSF-AQNXPRMDSA-N 470.618 2.768 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705536630 SJZRXUFBWITJSM-UHFFFAOYSA-N 478.622 2.947 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1csc(-c2ccccc2)n1 1705627706 NWFIIYGFDLXSMV-LJQANCHMSA-N 450.568 2.681 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccncc2)CC1 1705643326 BCADOLVVACZISY-NRFANRHFSA-N 465.602 2.743 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1705668029 CASGCLLRMYIPPX-NBGIEHNGSA-N 451.571 2.886 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705696486 NZUCFLWQAYOWIX-QRFRQXIXSA-N 495.049 2.740 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705708192 ZGFOTTGWRUUQJC-YRXWBPOGSA-N 479.647 2.599 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1705709267 MYQPTLGVVJNBDL-SPEDKVCISA-N 455.559 2.549 30 10 JFEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705728494 MMFKMTUOVXSXEU-NHCUHLMSSA-N 486.661 2.713 30 10 JFEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705739313 BTVUMYVJWDNYNS-JOCHJYFZSA-N 464.563 2.604 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705746983 CAMMEUKAOJLOJU-SFHVURJKSA-N 477.009 2.780 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 1705755315 QVNOEAQKKDGUMI-QGZVFWFLSA-N 483.013 2.821 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1705819984 YGRMBDWGNSTDDU-GIVPXCGWSA-N 459.616 2.960 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O 1705878143 VUMQHFPKGGUQGK-UHFFFAOYSA-N 452.584 2.611 30 10 JFEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705886365 ONPNJZXNTFPAOD-HXUWFJFHSA-N 469.615 2.559 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1705899835 IGAKJSNBVSFXGP-LJQANCHMSA-N 461.570 2.534 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1705913755 XBYAXWHMMWXNEE-SFHVURJKSA-N 457.556 2.726 30 10 JFEE 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JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722731469 LVCLHFWNXAYODM-VSOVRNOCSA-N 492.667 2.777 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722739818 IVEGWHRHVXMMPX-ZWKOTPCHSA-N 469.615 2.707 30 10 JFEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)cs1 1725490245 GOMXSJHGPIAOFO-UHFFFAOYSA-N 486.623 2.750 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1729396185 AFFUELRGCJGAJN-LJQANCHMSA-N 475.519 2.793 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1730399626 BGHTZTBGLLKURI-DHIUTWEWSA-N 482.629 2.663 30 10 JFEE COCCC1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1730659216 FSDXUGXLGBIWPO-UHFFFAOYSA-N 454.623 2.924 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1731180520 FNYLIGZGQILMTO-INIZCTEOSA-N 456.419 2.925 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740585075 NVUNUWFTBOHXTL-JOCHJYFZSA-N 492.624 2.719 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(C)C)CC1 1740594583 RNULKUHBXCPQJO-UHFFFAOYSA-N 463.674 2.834 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)C(C)(C)C 1740605125 OARATLRFKWQQCW-UHFFFAOYSA-N 469.405 2.999 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1740620084 UDBFQIOJDCPONW-IBGZPJMESA-N 488.610 2.788 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCC2(C1)OCCO2 1740634109 GFJKFNHQKCIBTD-IBGZPJMESA-N 450.539 2.968 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740647394 NIEFVPOQTHFSNS-UHFFFAOYSA-N 497.621 2.678 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C1CCCCC1 1740664441 QHHBDVMCPNIMJI-UHFFFAOYSA-N 472.659 2.919 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1740726719 LSDAGRUJQUHAEY-WZONZLPQSA-N 457.600 2.614 30 10 JFEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740796821 IBJSXSWFUMWRLU-FQEVSTJZSA-N 454.575 2.568 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1740847729 RMYVJMYXWGLOHT-UHFFFAOYSA-N 465.602 2.563 30 10 JFEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740887206 FFEKUMUGKBWGEW-JOCHJYFZSA-N 484.601 2.967 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1740916448 NFOQJPVXLVPXCN-OAQYLSRUSA-N 461.570 2.696 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCn2nc(C)nc2C1 1740968329 HWNRVDKGTZHBOJ-UHFFFAOYSA-N 464.574 2.730 30 10 JFEE C[C@@H]1CCCN(C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1743068323 HLEWKOPCVBBPAA-QZTJIDSGSA-N 471.631 2.509 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCC2(C1)OCCO2 1748649955 VIDONMHCSAGWBF-IAGOWNOFSA-N 456.543 2.972 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1748701360 HHSYLXHHJQOGID-LPHOPBHVSA-N 461.408 2.996 30 10 JFEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748701967 VBWMTROEMSGSSX-UHFFFAOYSA-N 474.613 2.785 30 10 JFEE 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C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1705494895 HXJCXVXJYDYGGQ-OGNFBWPZSA-N 478.018 2.841 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562867 LUMJCVLWJWXPCU-RPWUZVMVSA-N 494.665 2.954 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1705568461 NWPXFIJQYKKZQY-NRFANRHFSA-N 498.678 2.927 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCCCC1 1705581152 YCCWUIXKCRUGKE-UHFFFAOYSA-N 458.566 2.862 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)CC1 1705645987 MQTGIUIPXCNZRS-CQSZACIVSA-N 478.366 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2ccccc2F)CC1 1705652705 JTHZNCMLHFUEMD-RFWXGWTQSA-N 499.587 2.575 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(C)(C)CN1CCOCC1 1705657148 URZSRGAGOPILKF-UHFFFAOYSA-N 471.627 2.835 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705666023 LGIPGCFHQPCPFF-NRFANRHFSA-N 452.584 2.843 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC(C)C)C1 1705733125 JDUSHEYIMUDUTH-FQEVSTJZSA-N 458.559 2.939 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(NC(C)=O)nc1 1705882834 MJUHQZZGIGDERJ-UHFFFAOYSA-N 450.499 2.714 30 10 JFEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1705894027 LFZRJBIJKFWELK-SFTDATJTSA-N 455.559 2.893 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705902893 LSNYYJJAZITEQS-ICSRJNTNSA-N 452.607 2.769 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1705905241 OSZGHGVHOIAMGW-UHFFFAOYSA-N 454.575 2.694 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705905553 ZJLZSTKAOYUQSR-UHFFFAOYSA-N 498.534 2.622 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCOC[C@@H]2C)C1 1705914980 RBFQMJNHGRZXHY-RBBKRZOGSA-N 468.602 2.649 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2c(CC)nn(C)c2OC)C1 1705919721 JOIOYKNJSHZEOA-GOSISDBHSA-N 467.530 2.987 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705937987 KIQOVRQPCNVMDE-PMACEKPBSA-N 461.632 2.685 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCOC2)CC1 1706156120 FYLNWLXQFYLZNL-PKOBYXMFSA-N 460.579 2.548 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccc(COCC(F)(F)F)cc3)CC2)c1C#N 1707807564 FAWACRUMWIRXFB-UHFFFAOYSA-N 488.518 2.954 30 10 JFEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNC(=O)c2ccc(C)cc2)CCOC1 1710465722 BLQLRPCKYOLYOM-JWQCQUIFSA-N 466.586 2.799 30 10 JFEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1710874550 GIEVRKXUSWWSCN-UHFFFAOYSA-N 498.653 2.870 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1722289997 BQEZKJZVRVEAPO-LJQANCHMSA-N 475.597 2.926 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1722361535 ZOQWQJZSWVJRPU-IBGZPJMESA-N 490.029 2.532 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1722364869 JLGZECZPDBXWOH-LJQANCHMSA-N 455.609 2.503 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(Cl)c(OC)c(OC)c1 1722370718 NMCIMMCQYQQPQD-UHFFFAOYSA-N 464.913 2.717 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1Cc1nnnn1CC1CC1 1722416658 ONRLVRVJPYHITH-UHFFFAOYSA-N 471.363 2.524 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN(C)C(C)C)CC1 1722429816 SQSOYIXNXWSAMY-UHFFFAOYSA-N 451.619 2.633 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@@H]2C)CC1 1722443193 DZTHDVMKSNFVSB-GHTZIAJQSA-N 483.638 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722444507 ZIWBDDQYEOCLJG-YKSBVNFPSA-N 493.608 2.909 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1722465336 JLMFRTFXSICLJV-UHFFFAOYSA-N 468.627 2.916 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 1722583446 VJGHBVRAVBEJDM-UHFFFAOYSA-N 466.007 2.948 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1722689018 DRKKJWDDFUQFLU-CEXWTWQISA-N 494.662 2.651 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1722695668 LUZJJCYNPHYINM-UHFFFAOYSA-N 456.900 2.975 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC2(CCN(C)C2=O)CC1 1722725423 LFNYKPYPXLDJJH-UHFFFAOYSA-N 478.018 2.648 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1723982659 GFMMDLKPPVVWTJ-BTYIYWSLSA-N 465.526 2.824 30 10 JFEE Cc1cnc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)s1 1724990977 AUEGVEYHJNFYFM-ZBFHGGJFSA-N 473.628 2.965 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740558747 XKIPBQLFCOFKOX-ICSRJNTNSA-N 471.569 2.687 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740620146 ODBSEMNMWCYCCW-RTWAWAEBSA-N 457.644 2.857 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740622047 STMZVSZXDUAQMB-LEWJYISDSA-N 472.659 2.565 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1740646741 ASWZLIPBIZFDHZ-YADHBBJMSA-N 496.681 2.779 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)n1 1740688284 CQRRKLHUENDYAY-PZJWPPBQSA-N 485.633 2.969 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1740716301 PKNYRWLFXJPDNU-MSOLQXFVSA-N 490.427 2.936 30 10 JFEE C#CCSCCn1c(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1740724217 ZNTAVQJIBFXHPM-YADARESESA-N 477.675 2.675 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740739684 XWSPSUALOKTRBB-HZPDHXFCSA-N 456.385 2.502 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740743853 GYIYPFSNTPTBLA-INIZCTEOSA-N 476.441 2.679 30 10 JFEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740789128 GLAWDNPCICMMPP-FQEVSTJZSA-N 452.559 2.573 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1740794023 YTLNVHYDQHZAEN-YADHBBJMSA-N 489.642 2.854 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCCOC)C1 1740800922 KLQNLXWMNGUNRP-QGZVFWFLSA-N 454.358 2.856 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740848673 OFCBOSLWVXFMMJ-OALUTQOASA-N 453.653 2.882 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740869235 GQXQWRUNDVIMDW-UHFFFAOYSA-N 476.372 2.553 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H](O)C1 1740935185 DZMBLVJELWHSJS-VSKRKVRLSA-N 458.628 2.966 30 10 JFEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)Cc1ccccc1 1741369610 DIOBWVOKKRKAFC-UHFFFAOYSA-N 479.610 2.610 30 10 JFEE Cc1nc(C)n(C[C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)C2)n1 1742717199 HAICOKJGIXPFPA-FQEVSTJZSA-N 464.574 2.625 30 10 JFEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N3CCSCC3)CCCC2)CCOC1 1746648889 AUFIHDOIRJSOAK-AUSIDOKSSA-N 462.664 2.888 30 10 JFEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1)CC(F)(F)F 1747924697 GUOMZKQHSSDSBS-QGZVFWFLSA-N 463.508 2.793 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1748741035 YIAURHOPAJQMCH-KRWDZBQOSA-N 465.558 2.950 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1748808575 LJBWDNJHNTYGPV-SJLPKXTDSA-N 471.608 2.841 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1748810179 SRARJBVUCZMETQ-INIZCTEOSA-N 499.406 2.900 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748819368 NUOKVZJTKUGSNU-JOCHJYFZSA-N 490.073 2.881 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748934630 BMSIKOUWLHABFG-PCCBWWKXSA-N 483.617 2.624 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(F)c(F)c2F)CC1 1749009545 SKRZZONPMUQSEI-UHFFFAOYSA-N 468.483 2.966 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)s1 1749023775 WIOCIVYXBVHURZ-GFCCVEGCSA-N 492.490 2.715 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749118008 BHPDXRFVVOIKFI-KJJMTIBFSA-N 458.651 2.906 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1749140873 UIWOCZHNYIFLOA-IECBHUPTSA-N 469.586 2.939 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1749210669 LVDBSHUNIYOOQG-OAQYLSRUSA-N 461.607 2.661 30 10 JFEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749452409 YPWOVOYXQGFFBW-FQEVSTJZSA-N 459.616 2.851 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1C 1749591211 OBCUCWSTQOUSIJ-ZVDOUQERSA-N 477.631 2.875 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749751871 CSAXVBQSJQIABK-UHFFFAOYSA-N 453.547 2.756 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760145651 SKSOFOSSSAEHTO-NQIIRXRSSA-N 480.569 2.703 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191729 MMBVNFMTGAPTGS-CMKODMSKSA-N 493.029 2.810 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCS1 1760244546 YUVOCMOQACBFJS-GOSISDBHSA-N 476.672 2.918 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(C)C(=O)OC(C)(C)C 1760248434 LNGOMOFLBWYRRZ-UHFFFAOYSA-N 495.584 2.937 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760251018 VMBGYZFCBVWJSF-UUOWRZLLSA-N 460.525 2.961 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cccc(C(=O)N(C)C)c2)n1 1760253268 XKXQDSZYYBLHTI-UHFFFAOYSA-N 477.613 2.808 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760266875 PRDSDLKVGNDCHV-IBGZPJMESA-N 483.016 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1760268290 PELFHUSAYOEXCZ-LJQANCHMSA-N 495.628 2.951 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCOC2)CC1 1760273255 MUNWFEODJSDKNX-HXUWFJFHSA-N 481.597 2.648 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 1760274375 NOQNVHCOYDYAFG-KRWDZBQOSA-N 459.616 2.868 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1760323023 ALQVENQILOOUDC-AUSIDOKSSA-N 484.601 2.698 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760348398 QDZAAGZAKTUMAM-GOSISDBHSA-N 460.542 2.819 30 10 JFEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1760431183 GWGKSOUWTDDNEF-UHFFFAOYSA-N 475.041 2.752 30 10 JFEE C=CCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760444848 SKMQQOWTDCSISS-DEOSSOPVSA-N 457.623 2.731 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1760464216 BZDRGTHKZUGDEO-LJQANCHMSA-N 470.574 2.617 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1N(C)C 1760494792 UYQUBJTZDUQXEA-UHFFFAOYSA-N 466.615 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@H](C)C1 1760551615 MBYFLOSJQVVEHD-HUUCEWRRSA-N 454.980 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC2CCCCC2)CC1 1760552101 BSWQYYZDIVAIHN-UHFFFAOYSA-N 458.632 2.643 30 10 JFEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1)N(C)C 1760980259 ICVSBCNSTXVYRY-XMMPIXPASA-N 492.672 2.537 30 10 JFEE CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1760982307 FMCVHFLNMYZPKX-HSZRJFAPSA-N 473.629 2.905 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCN(c2ccccc2)CC1 1762239190 BWUGQSSEUXIXCK-AREMUKBSSA-N 496.635 2.851 30 10 JFEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c1 1763914687 BSLPHNNYLAMOHZ-GOSISDBHSA-N 463.586 2.717 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(CN(CC)CC)c2)CCOC1 1767481152 BEIYNWUDMIGQMX-WIOPSUGQSA-N 468.602 2.549 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)S(=O)(=O)c3ccccc3C#N)nc2)cc1 1858272846 ZWMSDWRPUIZSIW-UHFFFAOYSA-N 470.532 2.782 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(C)C)ccc1O 1862574487 KKUPRZWVCGQENG-OAQYLSRUSA-N 456.495 2.558 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCO)cc(Cl)c1O 1862612371 IFUFFKZVMYYIJJ-LJQANCHMSA-N 475.881 2.786 30 10 JFEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862740611 FSICRWFFBAWDKC-IBGZPJMESA-N 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CCn1cc(C(=O)NCCCOCCOCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282536018 WTTAPGABKZDYPQ-UHFFFAOYSA-N 457.380 2.556 30 10 JFEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)cn1 2282552571 RBPNWHXTCHVNGK-UHFFFAOYSA-N 457.340 2.738 30 10 JFEE CC(C)[C@@H](C)[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282573727 FBNUAGOLOLHJQH-WBVHZDCISA-N 464.416 2.635 30 10 JFEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C 2282593984 YAHLOYALLYDBNE-HOCLYGCPSA-N 462.400 2.546 30 10 JFEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 2282596793 CYRBYIYAIZZCHT-FQEVSTJZSA-N 452.408 2.764 30 10 JFEE Cc1cc(S(=O)(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282827608 ASTIDEVVFSASTJ-INIZCTEOSA-N 480.436 2.828 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3nccn3Cc3ccccc3)cc2F)OC1(C)C 2282835548 WLLUPZIGLPFGQR-UHFFFAOYSA-N 471.363 2.848 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282843881 UHDHHPUTEPKBGK-KSFYIVLOSA-N 498.476 2.866 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282844073 XNSGFMVEUMFHRS-RDJZCZTQSA-N 498.476 2.818 30 10 JFEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2283926490 ORTSAHSOCJLZGQ-NVXWUHKLSA-N 480.436 2.936 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CO1 2283975892 WBXVWLIMEZCHMH-GOEBONIOSA-N 464.343 2.993 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2284011716 PGVAYOBZSBVLDI-KBXCAEBGSA-N 464.343 2.681 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCOCC[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2284016807 APMQXTVYAKVTOU-RDJZCZTQSA-N 480.436 2.983 30 10 JFEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1[C@H]2[C@@H]1OCCN2C(=O)OC(C)(C)C 2284066047 OXTRAVPYLDWSNN-OKZBNKHCSA-N 478.420 2.640 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)cc2F)OC1(C)C 2286112580 DKXXYKOVRFHSPR-AWEZNQCLSA-N 458.261 2.798 30 10 JFEE CN(CC1(O)CCN(Cc2ccccc2)CC1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2286398456 KRDJXBXRIFGJKZ-UHFFFAOYSA-N 455.383 2.983 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C2 2288266364 JTPVBOVAIWZMFY-OPAMFIHVSA-N 498.476 2.724 30 10 JFEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC 2297057175 PQKMEKDVCMUOKG-NRFANRHFSA-N 469.494 2.985 30 10 JFEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2301499464 LNDPJVHGSVMETH-IBGZPJMESA-N 450.601 2.594 30 10 JFEE COc1ccc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 2325512982 DJEQYNSCRYNGAB-UHFFFAOYSA-N 452.492 2.815 30 10 JFEE NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327538205 SBEQGGOEPSMSBK-UHFFFAOYSA-N 462.875 2.584 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1 2328984911 OGBFERSIBCAHJI-QGZVFWFLSA-N 458.588 2.551 30 10 JFEE COc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)Nc1cccc(C)c1 2330731603 XPLPSIKWYDYWBT-UHFFFAOYSA-N 452.540 2.844 30 10 JFEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCc2nc(O)c3ccccc3n2)c1 2330778195 WLTACYYGIJXFLO-UHFFFAOYSA-N 463.523 2.746 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2337396906 UKFYNAAQKQWBHZ-LSDHHAIUSA-N 463.409 2.771 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364957027 HMJGBUFIYKWCNA-CQSZACIVSA-N 464.343 2.912 30 10 JFEE Cc1nc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)ncc1B1OC(C)(C)C(C)(C)O1 2369956584 DGBRKMXMYULFKD-BFYDXBDKSA-N 458.368 2.668 30 10 JFEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 20292396 SSJABGDWSBAGBR-QPSGOUHRSA-N 468.326 2.887 30 10 JFEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(\C)CC(C)C)n2)cc1 59892061 LJMXJLUZYDPCIN-LPYMAVHISA-N 453.594 2.668 30 10 JFEE COc1cccc(C(=O)/C(C#N)=c2\s/c(=C/c3cnn(C)c3)c(=O)n2-c2c(C)cccc2C)c1 96940661 SGGVBVYLDPMNDD-QEYTXPGASA-N 470.554 2.644 30 10 JFEE CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccc(S(N)(=O)=O)cc1 101899401 NOVZWQGIDFGIBN-JEBJBBSMSA-N 460.581 2.931 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1 102485851 IGMVOICTVIGTLH-QQYUXEJHSA-N 496.560 2.856 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccnc2)cc1C 170356618 WFJVDTXWWDFNDF-NRFANRHFSA-N 479.514 2.829 30 10 JFEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1C 253565040 HGASXTGLTGGTRJ-ZVBGSRNCSA-N 485.486 2.602 30 10 JFEE COC(=O)C(=O)C1=C(c2ccccc2Br)NC(=S)N[C@H]1c1cnn2ccccc12 729662452 LDJUMJUPYWHUBU-KRWDZBQOSA-N 471.336 2.769 30 10 JFEE Cc1cccc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3cnn4ccccc34)c2=O)c1C 729668502 KORXJHRWJASQPW-UHFFFAOYSA-N 492.564 2.700 30 10 JFEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCC(=O)Nc3nc(C)cs3)C(=O)[C@]12C 1075950798 CFIQLLRXPOBWLO-JOPVOSQUSA-N 497.529 2.562 30 10 JFEE Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1136809082 DUDPFMXWPVCJCV-AEFFLSMTSA-N 458.559 2.736 30 10 JFEE C#CC[C@]1(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1142327967 DHEFZDSUXSDYMX-AREMUKBSSA-N 455.599 2.923 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286300253 QBTDSJBTTYKNRY-XMSQKQJNSA-N 450.612 2.993 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)C(C)(C)C)c1 1286310228 RQVOZVYNGVICDT-UHFFFAOYSA-N 468.583 2.543 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1286388184 ZDGLSRPEOGTLES-FQEVSTJZSA-N 467.595 2.666 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCCn1cc(Br)cn1 1286438181 CJHZUNXZSKTUFO-UHFFFAOYSA-N 453.348 2.637 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCO[C@H](C)C2)CC1 1286492174 IHCAJLIHDUIADV-MOPGFXCFSA-N 469.561 2.777 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286536923 UEPXQCBDJZRBJO-ZIAGYGMSSA-N 470.334 2.984 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286614118 LJVSZQCNDZCVMZ-ROUUACIJSA-N 462.595 2.610 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1286629090 JJHWZLPZOFSCLB-HXUWFJFHSA-N 495.049 2.600 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)CC1 1286645379 BLCWIQFMHVOWRD-INIZCTEOSA-N 468.549 2.930 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286665911 ADEROVKRWIOQBM-LJQANCHMSA-N 470.603 2.537 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1286740062 CFPZWSCPFHVQLD-IBGZPJMESA-N 499.641 2.776 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O 1286760467 MLOOPDVMDIUJHF-OAQYLSRUSA-N 454.600 2.881 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286785276 IEKGIBKFYRDOHW-UHFFFAOYSA-N 451.962 2.618 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C)n(C)c2=O)C1 1286802187 PRGBCBHONLCNPW-FQEVSTJZSA-N 450.499 2.690 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1286819609 PTGPOINQSOTBJX-UHFFFAOYSA-N 456.572 2.821 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1286822523 FDGJBYMVECGAGD-QFIPXVFZSA-N 478.018 2.776 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CCC)C1 1300309881 JIOHEKPORQCXTM-SLFFLAALSA-N 460.623 2.776 30 10 JFEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300345445 XBXSKOIAHYVRHY-IBGZPJMESA-N 459.616 2.865 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300479411 OAOVJSXEVDBGTN-PKOBYXMFSA-N 475.640 2.525 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300483947 PQJVVTJKFVWULT-QUCCMNQESA-N 459.616 2.595 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300485059 WIKXHBIVSFMVDZ-ZIAGYGMSSA-N 487.445 2.821 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1300711880 JKZIBLAJZNWVBF-XZOQPEGZSA-N 491.684 2.968 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCSc2ccc(C)cc2)CC1 1300725761 JSZHIWIMEDXIRX-FQEVSTJZSA-N 453.612 2.849 30 10 JFEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1300839298 FMOBFLFIFVDLHX-OAHLLOKOSA-N 456.348 2.741 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1300884416 KLPWUWYKPKAXKB-MKXGPGLRSA-N 454.662 2.739 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1300915279 LZBICAGRHAWJBR-LJQANCHMSA-N 469.558 2.534 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1301000244 NYVWKGIVFBUREX-UHFFFAOYSA-N 477.631 2.538 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COCCO1 1301341178 KFDDHOXFJQQXTR-HXUWFJFHSA-N 478.578 2.749 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCOC1 1301483001 HEQVLLVHEQTVMH-CYBMUJFWSA-N 452.328 2.622 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1301520808 PPTKIBOGNKXTNJ-NFBKMPQASA-N 477.613 2.697 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)s1 1301612857 QBUBIUQRVVOAPA-HNNXBMFYSA-N 492.092 2.882 30 10 JFEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1301845968 DEXAQHSRCZVSII-UHFFFAOYSA-N 493.612 2.626 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1312655914 CXUFRBXRNRTWIO-UHFFFAOYSA-N 455.964 2.800 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 1353418483 DTJDXRYLPWHVKG-UHFFFAOYSA-N 450.314 2.878 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358955443 LZQLSVMXMHLYME-NHCUHLMSSA-N 457.644 2.814 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358965057 NCVLVUOSHXPHGW-QFIPXVFZSA-N 479.606 2.532 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCC1 1358993480 OAJWGNAITQZXGB-UHFFFAOYSA-N 460.630 2.791 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC2(O)CCOCC2)CC1 1359038969 RSTKMEDMEPOFBH-UHFFFAOYSA-N 494.423 2.851 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359042544 LDHQQALXLWCKPW-SZPZYZBQSA-N 492.668 2.973 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(CN(C)CC)c2)CC1 1359043748 HBVRLAZNYFWNOH-UHFFFAOYSA-N 471.609 2.806 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)Oc2ccccc2)CC1 1359045137 YFEGEIRFUAZLLL-SIKLNZKXSA-N 451.571 2.953 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359050418 PUUVUVMHCKRNPS-MRXNPFEDSA-N 479.448 2.561 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359061056 PSRYMXIYQKBZJG-UHFFFAOYSA-N 496.681 2.585 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 1359089130 BYRWSXLKRZZUTI-RXVVDRJESA-N 456.566 2.863 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(S(=O)(=O)CC)CC1 1359089158 CMDXPVSSSKCKOZ-PXNSSMCTSA-N 481.663 2.581 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCC)CC1 1359098169 YFHHPDWDAYNRSS-CTNGQTDRSA-N 453.591 2.849 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1359133765 YZHFQKHIABZBCG-FQEVSTJZSA-N 453.587 2.788 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359182529 JOWMPXOGUVCRHU-HXUWFJFHSA-N 485.677 2.686 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 1359196119 XMLQLUKGGIQKSP-LEWJYISDSA-N 471.627 2.503 30 10 JFEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359208672 QZKVCOYETDCKNY-LJQANCHMSA-N 484.576 2.794 30 10 JFEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359211616 JHNOMDPBNSYJKK-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1359221517 FBVQJFFHDNXZFV-SFHVURJKSA-N 458.538 2.689 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1359230621 AABHHGLGGBLJOE-UHFFFAOYSA-N 460.026 2.510 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(COC)CCOCC1 1359232876 IVAMWWQJQFPRGL-UHFFFAOYSA-N 462.620 2.612 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359285334 ZJGILKONJMOGTP-UHFFFAOYSA-N 451.358 2.611 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359292191 JYVWCMKRTPMTRL-LJQANCHMSA-N 497.575 2.786 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CCC)C1 1359299784 NGNZWNDAOITRML-RTBURBONSA-N 476.622 2.700 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1359301948 QTRJXTQNUVIDGM-UHFFFAOYSA-N 487.942 2.824 30 10 JFEE C=C(C)[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(F)c(F)c1 1468668669 VQYDXJXVCXWGAB-HXUWFJFHSA-N 453.511 2.694 30 10 JFEE C[C@@H]1CCCCN1CCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1493666281 HNJCBAXIZLJJRP-VGSWGCGISA-N 459.595 2.976 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)CC(F)(F)F)cc1OC 1501241024 CWUDLXFPOVWIMO-QGZVFWFLSA-N 482.507 2.965 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCN2CC=CCC2)c1 1507551546 FPEHXVGHFRBBFQ-UHFFFAOYSA-N 455.566 2.582 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507624621 CMACBONTUBAWIZ-XXBNENTESA-N 466.648 2.772 30 10 JFEE 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2.972 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689992904 QVENXCJBAGSODP-GGAORHGYSA-N 469.655 2.536 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1690132878 ZRTVWSFNFSHZSO-NRFANRHFSA-N 487.446 2.715 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1690146646 SSSHSCSRSWCQJI-TZIWHRDSSA-N 451.571 2.524 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690243454 KUNIXHYOEBYZRC-WMZHIEFXSA-N 470.593 2.712 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690247735 FKEVIGXGZRZVGJ-YKSBVNFPSA-N 458.651 2.735 30 10 JFEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690457167 SEWUKTSYBOQSNB-UHFFFAOYSA-N 465.558 2.905 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1690664369 QIQPXEWJNRZNQD-TZIWHRDSSA-N 496.656 2.912 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1696926758 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C=C(C)Cn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728242 CQEXOKPZSHJRGZ-NZSAHSFTSA-N 457.579 2.936 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705788793 NDAGKVIDBKNLPR-UHFFFAOYSA-N 469.981 2.536 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705896055 AJXAOISBBPOFQH-YYWHXJBOSA-N 486.642 2.513 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCC[C@H](C)C1 1705901431 LGYGISHROVBAIQ-SFHVURJKSA-N 463.586 2.994 30 10 JFEE Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)c(=O)n1C 1707501274 AJYRGKOSQWPJCP-UHFFFAOYSA-N 459.598 2.726 30 10 JFEE C[C@@H]1CN(CCCn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)CCCO1 1708248518 BTGQKMNJBMGXCK-HXUWFJFHSA-N 466.634 2.670 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@H]2CCCC[C@@H]2C)C1 1710344957 BKXVSOHAGVYUBS-BWAGFHJFSA-N 486.642 2.930 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722324409 QZUSCVWVFBYRBH-UHFFFAOYSA-N 495.031 2.721 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722361982 QPONJWARBCVFNY-MOPGFXCFSA-N 471.558 2.897 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722371549 JZYRBPZYNGUVAL-FQEVSTJZSA-N 493.674 2.942 30 10 JFEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cccc(N2CCOCC2)n1 1722413853 LDVXBMAKNAYYGU-UHFFFAOYSA-N 452.509 2.887 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCOC2)n1 1722427398 IZMADLUPOFCJJQ-QGZVFWFLSA-N 455.950 2.513 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@H]1OC 1722428112 RHZDWFPJQFGAAU-ZRNYENFQSA-N 461.607 2.950 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN(C)C 1722468158 KAOKGXSADDJDIM-XMMPIXPASA-N 472.659 2.775 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722506683 VEXNKDWNIOKGGW-KIVTUJJHSA-N 464.570 2.672 30 10 JFEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722518942 WRACUKYWVIBAIF-INIZCTEOSA-N 459.348 2.756 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccc(Br)cc1 1722519213 PJXHIFKQZSDHJA-AWEZNQCLSA-N 456.410 2.906 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1)c1ccccc1 1722540052 HMSDMONOLPBCJJ-SFTDATJTSA-N 491.683 2.902 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(N(C)C)nc1 1722678040 JJLSOBYTFHIWIO-UHFFFAOYSA-N 450.543 2.864 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)cc1 1722706779 YXFKGANKAOLNMM-UHFFFAOYSA-N 471.359 2.927 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722724468 XOQBOLJVEBWQQM-FQEVSTJZSA-N 491.017 2.610 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCCC1(C)C 1722866696 CTFZWPFUCLSDSL-KOSHJBKYSA-N 452.607 2.989 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)C1 1728710007 GJGQHLJAMXPLGK-LJQANCHMSA-N 464.530 2.856 30 10 JFEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2Cc2ccc(F)cn2)c1 1731178720 GZKNVSPHNHUMCH-INIZCTEOSA-N 473.434 2.904 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740627767 KKGRQVIECOKYFA-FGZHOGPDSA-N 471.627 2.673 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740721669 PRJHYEKTZGFYOV-OAHLLOKOSA-N 481.409 2.744 30 10 JFEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740723392 RGDWZEPJARDZLA-SFHVURJKSA-N 496.666 2.777 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1740725344 KRDNAKLXYBCNCF-UQBPGWFLSA-N 468.577 2.713 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1 1740788406 USJYFASONLGXNV-UHFFFAOYSA-N 455.531 2.634 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1740922923 XEABVFRXMCVZNA-DLBZAZTESA-N 465.645 2.959 30 10 JFEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCCC1(C)C 1740940489 IFPGSYAWINEEJS-QHCPKHFHSA-N 476.647 2.818 30 10 JFEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](COCCOC)C1 1740945990 FEOUIWAXEUCYFZ-SFHVURJKSA-N 452.559 2.911 30 10 JFEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1740946667 FVPJOHLMSCGTQS-RDJZCZTQSA-N 456.490 2.963 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740969357 NIHSHRHPLCFICX-WMZOPIPTSA-N 478.519 2.915 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)N(C)C)C1 1740981148 UWQNVODUXZLELO-NSISKUIASA-N 458.994 2.967 30 10 JFEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCC1 1744312453 ATIMIYKLMDCAKS-UHFFFAOYSA-N 472.615 2.827 30 10 JFEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1748721922 QCRVBYDITDUSLS-UHFFFAOYSA-N 461.545 2.632 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748750624 LJHOVHCPQIRVIT-PZJWPPBQSA-N 467.618 2.983 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCC(C)CC1 1748830935 AUNWGEVIIAKUTI-FQEVSTJZSA-N 453.612 2.542 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCC(=O)NC(C)C 1748953477 MORWVKKNWATSLC-UHFFFAOYSA-N 454.394 2.770 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC[C@@H]1OC 1748953848 VNDCJPIWIAICOU-CABCVRRESA-N 469.405 2.907 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cc(C)no2)CC1 1749018632 BKPHKIQTWJEWEV-UHFFFAOYSA-N 462.554 2.730 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749373134 FHIBPRDUJLKPFB-UHFFFAOYSA-N 450.587 2.965 30 10 JFEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749393508 YEYWSTARWGGNFJ-LJQANCHMSA-N 463.604 2.834 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1749428068 YGWIYPMVRGWFPA-TZIWHRDSSA-N 477.606 2.785 30 10 JFEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749434267 MMTMLRFYRAODTL-UHFFFAOYSA-N 468.602 2.613 30 10 JFEE C=CCCOCCn1c(N2CCN(C(C)=O)C3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1749460883 IBNRHPLRMSADIM-VWLOTQADSA-N 475.634 2.894 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl)C1CC1 1749519378 KPPGJCLMCQKEIW-LJQANCHMSA-N 483.997 2.801 30 10 JFEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749640778 DUZWDUDAQNMFQO-UHFFFAOYSA-N 488.639 2.936 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1749676060 CFDANPTXURJGSI-NRFANRHFSA-N 462.554 2.925 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749677447 ZLPKBYDIAVWWGB-OAQYLSRUSA-N 466.630 2.744 30 10 JFEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1750485690 CPGFCNBCEMAABX-JOCHJYFZSA-N 479.629 2.671 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1760182049 AYLLVHAFVDCCNR-WOJBJXKFSA-N 476.693 2.983 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1760189106 NNVNGWLMKYBXAJ-FQEVSTJZSA-N 457.600 2.564 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCCCCC1 1760226816 ZMOSGKWHTKDPPP-UHFFFAOYSA-N 485.658 2.799 30 10 JFEE 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2.526 30 10 JFEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539372203 SKZBPWBQJIJFLK-QHAWAJNXSA-N 466.586 2.748 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CC)CCC2)CC1 1539468318 DKFCWUATKWOJKW-RUZDIDTESA-N 457.619 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cnn(C)c2)CC1 1539469199 OPNNBKLLETXTRB-KRWDZBQOSA-N 481.988 2.819 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC1 1539481291 KLRFTXSJKNEHNF-UHFFFAOYSA-N 477.613 2.776 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539526548 PYYZNRJWDINHHH-HXUWFJFHSA-N 462.641 2.935 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1539721463 AZZWCQXEOXQXAQ-NRFANRHFSA-N 450.543 2.556 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1539891827 LGDXAJDVKAHGLN-JOCHJYFZSA-N 451.619 2.609 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1540039839 HPWHTEXRKNOWET-HXUWFJFHSA-N 459.513 2.523 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1540177369 OEHSZYGXCYSMBC-NRFANRHFSA-N 471.627 2.717 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCCCC1 1540201421 SYFDOBJZKVVVIK-NRFANRHFSA-N 455.559 2.832 30 10 JFEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1540879487 FKAGTRXPYHIRTI-UHFFFAOYSA-N 499.641 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1540899985 HQDJNYGSRMPKOR-UHFFFAOYSA-N 491.658 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCCC2)C1 1540900064 KFENSGCUVQANBR-UHFFFAOYSA-N 476.599 2.713 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540907689 FEGSSXYODFMZDY-UHFFFAOYSA-N 455.510 2.669 30 10 JFEE Cc1n[nH]cc1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1542053507 FCKAAUMNRGNXKF-UHFFFAOYSA-N 496.641 2.990 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 1542598635 CGLSBRXOOPXZRM-UHFFFAOYSA-N 451.527 2.812 30 10 JFEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)OC 1545285234 FFEVIZKTHQBKAZ-CVDCTZTESA-N 480.613 2.953 30 10 JFEE Cc1cnn(CC(=O)N2C[C@H](CO)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)c1 1548405181 AUTDYKZPRYMWFO-GOSISDBHSA-N 461.488 2.820 30 10 JFEE CN(CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1)C(=O)OC(C)(C)C 1554292609 ARCFXEXCFADUOH-DEOSSOPVSA-N 499.595 2.761 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC1(C)C 1555545452 FABSTFWSRKAGDF-PMACEKPBSA-N 457.600 2.751 30 10 JFEE C=CCn1c(SCC(=O)CCNC(=O)C(F)(F)F)nnc1[C@@H]1COc2ccccc2O1 1559333343 NWGUSRUOSWHLTG-HNNXBMFYSA-N 456.446 2.706 30 10 JFEE C#CCC[C@@H](O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 1568081849 UTTZDSRJAGECID-QGZVFWFLSA-N 451.342 2.754 30 10 JFEE COc1ccc(CN2C[C@H](C(=O)Nc3sc4c(c3C#N)CCN(C(C)=O)C4)CC2=O)cc1 1586958003 CYZPFRAIUFNTFY-MRXNPFEDSA-N 452.536 2.520 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1CCS(=O)(=O)CC1 1587668074 RJSKFUVVPZIHKF-OAHLLOKOSA-N 481.416 2.902 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCc2nnc(C)s2)c1 1587689492 ISBNNJHNMFAYGF-UHFFFAOYSA-N 473.566 2.584 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588029966 NHCCEYDRUMFXJS-ROUUACIJSA-N 460.600 2.678 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1588064121 BDDARMXRNSDILU-FQEVSTJZSA-N 498.678 2.887 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1588813535 YZUXUDMPOUTCFY-OAQYLSRUSA-N 450.587 2.570 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)CC1 1588877016 RMCXPQLYPJYGKA-OYRHEFFESA-N 465.602 2.556 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@](=O)C(C)(C)C)CC1 1588968318 IBIHJDDJFNHZGV-FRKOPMCESA-N 491.702 2.710 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1589036572 LIMQULGRCGHEFW-JOCHJYFZSA-N 461.595 2.902 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589503483 DNMDMCRLMAUDDI-RDGATRHJSA-N 496.656 2.925 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1589559164 NUBVLKUUQLQEDX-FUDKSRODSA-N 452.603 2.988 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1589664334 YBZZNYMLGWLIOI-SFHVURJKSA-N 494.687 2.591 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1593636863 UCDXRMUHTKMOEW-MJGOQNOKSA-N 457.579 2.890 30 10 JFEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1593637105 WQBLEVFFQXTZPP-LQWHRVPQSA-N 455.559 2.734 30 10 JFEE C=C(C)COCCn1c(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1593768703 IEVDPTTUWWZYGJ-YADARESESA-N 479.622 2.969 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 1596821818 FUQIJWSZMZRUID-OWCLPIDISA-N 451.980 2.897 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 1596821820 FUQIJWSZMZRUID-PMPSAXMXSA-N 451.980 2.897 30 10 JFEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncccc1N(C)C 1611760979 BBNVRRZXRBRABS-SJORKVTESA-N 451.506 2.795 30 10 JFEE CC[C@@H]1CCCCN1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1614134307 ACGIFNCWRFUEEI-JOCHJYFZSA-N 478.645 2.879 30 10 JFEE CCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1615814174 HARWCZOAPLIARZ-GMAHTHKFSA-N 499.685 2.799 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCCO2 1619909697 GTNYMUGMHKTHBV-UHFFFAOYSA-N 477.525 2.501 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 1634514278 FLXVGZMGZXETAW-LJQANCHMSA-N 454.596 2.644 30 10 JFEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br)C(=O)OC 1664950483 BNAOJIUMEHVHCV-GFCCVEGCSA-N 454.726 2.675 30 10 JFEE C#C[C@H]1CC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)CC1 1675725064 LWBZIRZOMPYKKH-KBRIMQKVSA-N 451.308 2.666 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1679874789 XWVCTGFPGUXGRW-MRXNPFEDSA-N 453.461 2.793 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1([S@@](C)=O)CC1 1689863708 ZOQUMNTWLAXNIQ-LOKFHWFJSA-N 451.390 2.989 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689989524 GMGUMBNOLONVFZ-YZDRJCRTSA-N 478.659 2.783 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689991189 XUJASPVNUHUZJM-YMPZKCBVSA-N 499.681 2.928 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1690174885 LIHJUGUEPAHHHD-ICSRJNTNSA-N 460.625 2.897 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1690214397 ISGVWXNXNAZPJO-AREMUKBSSA-N 466.630 2.884 30 10 JFEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690341154 HERDDPJVBZFOII-KRWDZBQOSA-N 476.006 2.649 30 10 JFEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1690365769 GAEJRCGZYUDVGB-UHFFFAOYSA-N 494.687 2.916 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1)c1ccccc1 1690444875 NMDYOAFFVASALL-FGZHOGPDSA-N 485.654 2.989 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690520145 LCWJAEJGXLNDCB-AWEZNQCLSA-N 484.420 2.620 30 10 JFEE Cc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)s1 1693334350 GSFALGANEVCETM-UHFFFAOYSA-N 478.626 2.585 30 10 JFEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1697934071 AEAYVYGORKBGAO-PTLVVNQVSA-N 455.559 2.522 30 10 JFEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1698028622 HFOBAKGBCYPUSI-OAQYLSRUSA-N 479.560 2.977 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCN2CCCCC2=O)c1 1698485282 BFZRKLHXZLDNHQ-GOSISDBHSA-N 462.476 2.987 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCC(OC)CC1 1705500600 QFDUMVADSDYPDL-KRWDZBQOSA-N 458.632 2.617 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@](C)(CC)O2)c1 1705503887 HSZUBZNCTMMGRZ-HFZDXXHNSA-N 478.597 2.918 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CC1(c2ccccc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705561692 VUCNKYITURZDGS-NRFANRHFSA-N 456.612 2.777 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705562745 JBOAOKBGRAHKGE-INIZCTEOSA-N 479.393 2.660 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705563734 DLWQHMQCOCGEHT-FPOVZHCZSA-N 484.626 2.586 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1705565561 VSTRDKFDTSIILF-VXKWHMMOSA-N 455.628 2.836 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cccc(N3CCOCC3)c2)n1 1705631059 QLACLBQALUUDKH-UHFFFAOYSA-N 491.640 2.943 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)CC1 1705633031 HWDFTSIRVPZLQR-SFHVURJKSA-N 456.566 2.617 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705647024 XHQOEQTYEZATGN-UNMCSNQZSA-N 480.569 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705707623 OHEYRGNJHAUUBC-RMMWZPCPSA-N 488.633 2.732 30 10 JFEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705754169 RZYWRLCGIBNZJV-IBGZPJMESA-N 473.025 2.946 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 1705796111 ZHSYEZZHQFKFPS-TYPHKJRUSA-N 483.642 2.976 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1705819323 JJYNECPNGHMCQV-SFHVURJKSA-N 467.636 2.888 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1705865147 RUOCCDRNMVFLQP-DDYOIZNJSA-N 466.517 2.988 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1705881595 UPLCHVLPOVWLKY-FQEVSTJZSA-N 475.615 2.753 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705893181 PYCJCJBMTPBCLX-UHFFFAOYSA-N 451.487 2.682 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 1705941241 DRQYFTOXIZWWAT-CQSZACIVSA-N 466.405 2.947 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCOCC1 1722275239 CRLNPKVDNKSLCM-RLWLMLJZSA-N 467.614 2.657 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(C(N)=O)CCOCC1 1722278102 PMHLYSGATLEJCH-QZTJIDSGSA-N 455.559 2.557 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1722370202 ANQNBMBNFYEXQT-NRFANRHFSA-N 498.678 2.845 30 10 JFEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722463846 NYPXBCNFWDGMDJ-MSOLQXFVSA-N 471.652 2.908 30 10 JFEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1 1722533174 KFSGZFBVZVRIJC-OAQYLSRUSA-N 492.665 2.957 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 1722559564 BHVVINBGLPEJKU-SIKLNZKXSA-N 488.658 2.890 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722560986 LWDLZOMUXRGKCY-UHFFFAOYSA-N 494.524 2.811 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722727471 LSUNGSISSGEHDD-UHFFFAOYSA-N 483.642 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cscn1 1722730089 IIIUOBQYEFXMPP-UHFFFAOYSA-N 456.597 2.975 30 10 JFEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722738121 BJDMLMLOZHMYBF-QFBILLFUSA-N 464.613 2.723 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1722739261 UGORAKTUBBRXDT-MRXNPFEDSA-N 463.585 2.570 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)C1 1722764953 GAIHMBDTUHBXBC-ZBFHGGJFSA-N 462.396 2.900 30 10 JFEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C(C)C)N1CCCC1 1723186102 CPKBNHNFUNHRCO-CTNGQTDRSA-N 451.623 2.899 30 10 JFEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OCC(F)(F)F 1726636992 DVOGMNGMUYIDIY-HNNXBMFYSA-N 485.470 2.868 30 10 JFEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1726751152 BDQYZFZDAMHGKZ-QGZVFWFLSA-N 453.572 2.542 30 10 JFEE CCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1727916692 FRPQDDHYWRCIFY-CJAUYULYSA-N 494.575 2.924 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C)C2)CC1 1728628323 BLLFRMSGQJQBOF-PCCBWWKXSA-N 451.619 2.704 30 10 JFEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H](C)O1 1730607429 BLFIRCWQYYOHBW-UDDWMFPDSA-N 455.559 2.784 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](OC)C(C)(C)C 1730749805 CJHKXZFVJCUUGW-VQTJNVASSA-N 454.575 2.815 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncccc1N(C)C 1740531031 DDJRCXDBTCBODM-MRXNPFEDSA-N 451.962 2.829 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCCS1(=O)=O 1740556174 FZQSJOLFCPUXEP-SFHVURJKSA-N 459.616 2.648 30 10 JFEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1740571821 UMMNPBVNJFFBBA-HXUWFJFHSA-N 452.534 2.524 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740585622 YAPZWQRVCMHEEZ-OAQYLSRUSA-N 496.612 2.804 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1740612754 HISMKZYXZYJSNZ-UHFFFAOYSA-N 478.622 2.596 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740615953 OQQKTHKACCVPNO-RBUKOAKNSA-N 461.632 2.878 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1740620119 NSNAAFAUVXGCDY-LSDHHAIUSA-N 470.929 2.649 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCCCC1 1740652791 NEGLUMCFPFYYPM-UHFFFAOYSA-N 471.609 2.919 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnnn1CC1CC1 1740665486 DMEPABGDPPOVFU-UHFFFAOYSA-N 459.327 2.751 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1740683364 DSAFQFYJRBKUEY-UHFFFAOYSA-N 461.570 2.876 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCC(C)CC1 1740684162 KRJSLJLQNYTXEF-NRFANRHFSA-N 491.640 2.881 30 10 JFEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1740715091 DOJXYORTBXEKBK-UHFFFAOYSA-N 466.611 2.772 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)COc1ccccc1OC 1740724722 HWSWRSKYKLWFQN-YZZKKUAISA-N 475.615 2.604 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F 1740750832 FXOPNCWTBKYXEF-HLIPFELVSA-N 465.595 2.953 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCCC)CC1 1740764472 XGAMKWBGJRFIHU-OFNKIYASSA-N 472.634 2.514 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740793194 PKTMQQRDRGHAFE-IEBWSBKVSA-N 476.622 2.952 30 10 JFEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1)c1ccccc1 1740796666 CFDHMXDYPHQKRW-UHFFFAOYSA-N 481.645 2.510 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740834186 MEONRMPHPNMTMQ-GOSISDBHSA-N 472.556 2.862 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)C2CC2)CC1 1740840317 VQWBJHNMUJUYQE-IBGZPJMESA-N 451.637 2.840 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1740850903 NISYLTGNZVJOER-SFHVURJKSA-N 476.622 2.891 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)C(C)C 1740925304 BGYZZWKYYVLUDN-NMOFPLQQSA-N 459.635 2.865 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1740930750 PCQQHZQNWSMBRJ-UHFFFAOYSA-N 454.556 2.597 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)N1CCOCC1 1740939361 VMCGQYYTKURWHE-UHFFFAOYSA-N 467.412 2.785 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3ccncc3)CC2)C1 1740970256 IEUXBPFWWQJFJM-QFIPXVFZSA-N 453.635 2.964 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C)=C(Br)C1 1740991351 UTBIYUDENVQSPC-HNNXBMFYSA-N 459.410 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](Cc2ccccc2)C1 1740992562 JEURRDLZXJEXFV-JOCHJYFZSA-N 451.596 2.934 30 10 JFEE CCOc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)COC)CC2)n1 1746763465 ANZOPGOHFIFWPZ-SFHVURJKSA-N 476.585 2.923 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)c1 1748587892 HWBDJAYQWRMIFK-INCQDFKNSA-N 496.431 2.992 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748777045 XEHQGNPZCAYTQR-HDICACEKSA-N 457.575 2.540 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1748799140 PFJHXKPXRJUING-IBGZPJMESA-N 478.622 2.608 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1748818667 DDCYDQMIOCFPDR-QFIPXVFZSA-N 467.570 2.581 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1CCC(O)CC1 1748888512 XUTPZGGHSPFZRM-UHFFFAOYSA-N 458.566 2.910 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1748922442 AFTBCEQDBRBXOV-UHFFFAOYSA-N 462.583 2.927 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCC(C)CC2)CC1 1748977941 FXRYJLUMPKGZQJ-UHFFFAOYSA-N 488.478 2.923 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)c2ccsc2)CC1 1748999840 HMMRVXPBCVKWDA-DEOSSOPVSA-N 467.595 2.590 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N[C@H](C)CC)CC1 1749010643 OOTWYUHXJSFVIA-QGZVFWFLSA-N 471.005 2.869 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1749020336 PYGLWKVCUBWIDZ-AREMUKBSSA-N 496.681 2.654 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749020353 QIQHRIFKAFYJOD-SBUREZEXSA-N 490.029 2.612 30 10 JFEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749047634 BBVYAMKJDFAOQE-QFIPXVFZSA-N 473.624 2.976 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC2(CC2)C1 1749091136 YRIYXQMGAJPZQM-UHFFFAOYSA-N 467.389 2.874 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCOCC1 1749141641 FFEHPZIUAVJFMS-JOCHJYFZSA-N 452.603 2.990 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1749211528 ZUGLBCILHQZDLC-UHFFFAOYSA-N 471.577 2.820 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1749228953 FVYBEDVUESYTJK-KOSHJBKYSA-N 476.622 2.687 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1749548680 HCQHNANSWOEUNW-UHFFFAOYSA-N 459.597 2.691 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2cncn2)C1 1749650728 GIINRRNSQQVGBS-UXHICEINSA-N 464.574 2.770 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)C(C)(C)C1 1749652436 OASSHSWJTALYKF-INIZCTEOSA-N 473.647 2.721 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1N1CCOCC1 1749725420 UCTMNYVZYYRQPW-UHFFFAOYSA-N 485.610 2.920 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H](C(F)(F)F)O1 1752317832 BYIRZLRIJMRICB-YOEHRIQHSA-N 483.516 2.940 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC23CCC(CC2)C3)c1 1760125093 DMLYZLUQTAOXBL-GBURSHPISA-N 484.626 2.525 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)N2CCCCC2)c1 1760126550 BNOSURIOMMIHFI-HXUWFJFHSA-N 479.629 2.737 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCOC(C)(C)C)c1 1760127357 XGHGNCMXYCUUFH-UHFFFAOYSA-N 475.553 2.797 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1760127480 AHGJEUSWTFGTHK-SIBVEZHUSA-N 458.566 2.871 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 1760175705 PMXOWGPJKRDCIB-HNNXBMFYSA-N 475.619 2.853 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(F)(F)Br 1760203944 WCQVCNGUFGGYRP-AWEZNQCLSA-N 488.333 2.647 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)CN(C)C)CC1 1760273394 RRFXJKWRJRKOIP-UHFFFAOYSA-N 470.593 2.550 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1760285127 XYGSHFVUAHOYPY-GOSISDBHSA-N 490.674 2.897 30 10 JFEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760428387 VERRIFQOKHDMKM-HXUWFJFHSA-N 473.647 2.822 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1760495790 XKTVTDUHHFMBOK-RTWAWAEBSA-N 489.667 2.820 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOCC2(C)C)C1 1760538128 BTAIGRLMAJJLNW-HXUWFJFHSA-N 471.602 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@H](OC)C1 1760557990 CNRPYHDSRPWYHB-WJFTUGDTSA-N 454.637 2.659 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCCC[C@H]2C1 1760560700 CGZVOUUNWVVQRF-IBGZPJMESA-N 461.657 2.942 30 10 JFEE Cc1nnsc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1761629992 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2297741653 OBECWOKJAPWJLJ-HSZRJFAPSA-N 466.534 2.766 30 10 JFEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1OC(C)C 2327842592 NCUUDAJEDDFSBQ-MRXNPFEDSA-N 488.614 2.648 30 10 JFEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(C)cc2)cc1O 2330738604 IFNCWRVTYFFJFO-UHFFFAOYSA-N 468.539 2.550 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(C(=O)O)cc1 2330750140 OBCHQHAHVVZLOE-UHFFFAOYSA-N 480.550 2.842 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2331181302 ZTUORVAIMVHLBX-BRSBDYLESA-N 468.595 2.744 30 10 JFEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331571043 FAUCOUFFNWCXDW-UHFFFAOYSA-N 468.948 2.862 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2334263716 DKQNXDQZHYDUFB-WMHQRMGPSA-N 463.409 2.864 30 10 JFEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2350208700 AXKQMQOWBHWBRI-DHIUTWEWSA-N 469.579 2.670 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)OC(C)(C)C 2359271188 DAWZGQSWSDWBBC-NXHRZFHOSA-N 459.396 2.842 30 10 JFEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]2CCC[C@H]21 2360213339 SGHRHZIYYKYBSJ-HLLBOEOZSA-N 460.384 2.617 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2362354620 CLEPUXGGBWKYMN-INIZCTEOSA-N 462.400 2.629 30 10 JFEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2364944902 MHSPVBUQIRRHPJ-XMMPIXPASA-N 457.380 2.713 30 10 JFEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2N)cc(OC)c1OC 20919526 SFMSKMMXAAWTLR-YSURURNPSA-N 489.533 2.642 30 10 JFEE COC(=O)c1ccc(C(=O)/N=C(\NCCN2CCOCC2)Nc2ccc(Cl)cc2C)cc1 46140686 ACCNITWMUHGNLI-UHFFFAOYSA-N 458.946 2.965 30 10 JFEE COc1ccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC 97553126 GSNPMIAHYHIRPS-IBLIISRWSA-N 482.533 2.997 30 10 JFEE C=C1[C@]2(C(=O)OC)C(=O)[C@@](C)(O)C(=O)[C@]1(C)C[C@@H]1[C@]3(C)C=CC(=O)OC(C)(C)[C@@H]3CC[C@@]12C 100066327 SGTJQTPUMKGFFZ-QLXDBCDCSA-N 458.551 2.945 30 10 JFEE biogenic C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 102826135 MWYGYMQKPSXECV-RNHBDSLOSA-N 476.554 2.982 30 10 JFEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccncc1 170359078 UXAAGPSDOKWPFY-NRFANRHFSA-N 479.514 2.829 30 10 JFEE COc1ccccc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 254821433 MZPLKIUMYWYKIX-UHFFFAOYSA-N 452.902 2.590 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)cc1 684044181 SIKNNMCFRVVSKS-UHFFFAOYSA-N 489.557 2.919 30 10 JFEE Cc1cccc(-n2c(=C(C#N)C(=O)Nc3ccccc3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668420 IXBAADMQEBLGMB-UHFFFAOYSA-N 477.549 2.997 30 10 JFEE N#Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)S/C2=N/CCc2ccccn2)c(F)c1 730725215 VYOBILLITLFRPD-HKWPXORHSA-N 489.536 2.954 30 10 JFEE CC#CC[C@@H](NC(=O)[C@@H](COC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757203157 WMOAZJAKQBEAGS-FGZHOGPDSA-N 450.491 2.523 30 10 JFEE C#CC[C@H](NC(=O)[C@@H]1OCC[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757473409 JUWNDDBXSJUQRG-UZFJHSOTSA-N 462.502 2.523 30 10 JFEE C#CC[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC)C(=O)O 757526837 FQQIJMYSSIZMKG-YDFBLROQSA-N 450.491 2.521 30 10 JFEE C#CC[C@@]1(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCCN1C(=O)OC(C)(C)C 1136086477 XMDQQZFKMNBVJW-DEOSSOPVSA-N 453.543 2.865 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 1141574370 LSZLPKZPFYXXBK-DEOSSOPVSA-N 453.608 2.592 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1286304593 IAXOMRIIPPCWBQ-APWZRJJASA-N 467.492 2.587 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286348210 HCHQVJJVIIDNNA-HXUWFJFHSA-N 475.597 2.954 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[C@@H](C(F)F)N1CCOCC1 1286363276 MJEUMSJPLLDDGD-AEFFLSMTSA-N 451.493 2.983 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1286386042 SWIBDPVMUWOYAX-PKTZIBPZSA-N 497.665 2.849 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1286388887 CMSJNYFCNWBHPB-MSOLQXFVSA-N 459.641 2.807 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1286392627 IUTHMUASPTXLFH-FGZHOGPDSA-N 486.638 2.882 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286398028 FTGIEEOGMVMXKW-QFIPXVFZSA-N 497.607 2.721 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNc1nccc(C(F)(F)F)n1 1286403683 OHYVMFMJUUWIII-UHFFFAOYSA-N 485.470 2.956 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1286426436 VORIDWGYZKERKK-OAQYLSRUSA-N 471.609 2.870 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1286485431 LLKNWZYGZMLNCX-PXNSSMCTSA-N 479.503 2.546 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1286565082 AKWUZGCJSMNHSM-DEOSSOPVSA-N 486.642 2.609 30 10 JFEE C=C(Cl)Cn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635124 KHFWTCYJCTXFDP-XMMPIXPASA-N 489.020 2.832 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2F)CC1 1286663085 GGSHIMRQAFOWDE-HXUWFJFHSA-N 463.579 2.509 30 10 JFEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@H](O)C1 1286764804 AHVDHRUGSFYDRJ-OALUTQOASA-N 476.647 2.737 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(C#N)c1 1286780486 VYVAEVWZDBPQIE-UHFFFAOYSA-N 468.359 2.856 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286793259 BBJFWQHAGJJQKY-JRBPQWBISA-N 490.649 2.848 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(OC)c2)C1 1286813207 SKFMMCDXOBDFPE-HXUWFJFHSA-N 452.559 2.987 30 10 JFEE CC[C@H](C)NC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c1 1291784711 HZPJRYKBTJVLRB-KRWDZBQOSA-N 451.575 2.733 30 10 JFEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c1 1291784712 HZPJRYKBTJVLRB-QGZVFWFLSA-N 451.575 2.733 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1295481850 BHMGCIHVBZPYOC-IFMALSPDSA-N 479.629 2.622 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1300364198 IYOFGSDMHUEVBF-MOPGFXCFSA-N 484.605 2.860 30 10 JFEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300412188 YTUDIHZHDGJTDL-HSZRJFAPSA-N 480.613 2.585 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300483413 LLGOFODGSJZXHI-GDBMZVCRSA-N 499.406 2.756 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1300483757 LVGSFQZZIRSBNX-AZUAARDMSA-N 491.633 2.772 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300485595 XLCWIXIYNHBSFL-IEBWSBKVSA-N 460.600 2.874 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1300487455 JQUHHIUYZPGUOU-QGZVFWFLSA-N 461.950 2.935 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCN(C(C)C)CC1 1300569103 BJBLXRGVAGNMII-UHFFFAOYSA-N 465.598 2.661 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCCC2=O)CC1 1300688189 CEUVZHSSUGFFLG-UHFFFAOYSA-N 485.430 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1300710855 OALIGNBRJBFUMC-UHFFFAOYSA-N 488.514 2.547 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 1300830593 ZXDFUHQTLJNMJS-INIZCTEOSA-N 492.403 2.690 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300927641 UYPHEURWZAUQEX-NRFANRHFSA-N 479.629 2.856 30 10 JFEE C=C(Cl)Cn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301060986 OODFPTSCAYVPRP-HXUWFJFHSA-N 453.012 2.850 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccccc2OC)CC1 1301492253 BXWVTJGUQXXIEM-UHFFFAOYSA-N 481.988 2.627 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301497074 NMKUGKMEEBKGSS-IBGZPJMESA-N 491.596 2.891 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1301579503 STHCBFXVILWSIB-LJQANCHMSA-N 492.964 2.706 30 10 JFEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301596846 AKEAKZCLFBBJCZ-KRWDZBQOSA-N 492.552 2.938 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1302272278 FUTDTGPISYRRIO-UHFFFAOYSA-N 468.558 2.727 30 10 JFEE C=CC[C@@]1(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1357157550 PFDIXSSALRBISE-HXOBKFHXSA-N 455.563 2.507 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1coc(-c2ccc(C)cc2)n1 1358872799 YZAXULYXYPMWBQ-IAGOWNOFSA-N 456.572 2.552 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358893551 XEWYYKZSDNIUQG-PXNSSMCTSA-N 465.520 2.989 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1358916366 JLGPMTDUFUAZBW-UHFFFAOYSA-N 474.594 2.666 30 10 JFEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](CC(C)C)NC(=O)OCC 1358946853 LJSFFSRZEQAVTK-INIZCTEOSA-N 451.531 2.824 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1358958379 MZMIAXNWXGSDRZ-LPHOPBHVSA-N 493.427 2.761 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1358958914 YIURAYNQCJFJMM-GOSISDBHSA-N 470.551 2.539 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358964458 ZGPJGOIVCADBRO-HSZRJFAPSA-N 471.671 2.992 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1358966885 YZCVEBYLPSCKJN-HXUWFJFHSA-N 465.579 2.544 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@@](=O)C(C)(C)C 1359000293 RBMHMRNQBZZPSA-SSEXGKCCSA-N 450.008 2.868 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1359088819 UYXVPXJELOVFDR-QGZVFWFLSA-N 460.376 2.608 30 10 JFEE C=C(C)Cn1c(N2CCN(Cc3cc(F)ccc3OC)CC2)nnc1[C@@]1(OCC)CCOC1 1359124843 GPGBKHVUMZOMLM-XMMPIXPASA-N 459.566 2.976 30 10 JFEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359225007 JVIMXTGNEDYZSL-JOCHJYFZSA-N 466.630 2.979 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359293145 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1689980548 UIAPAAQZIYANQO-CTNGQTDRSA-N 482.610 2.627 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689983393 AUECPNYVNWTDEB-BHIYHBOVSA-N 458.584 2.949 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689993134 WKDJNEBNRPDSMU-GOTSBHOMSA-N 469.655 2.940 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689993197 XNDXKKILXUQPGC-MOPGFXCFSA-N 484.544 2.771 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1689994220 UICDETKARYXFHN-QFIPXVFZSA-N 470.639 2.775 30 10 JFEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(N(C)C)CCSC2)CC1 1690130267 CUVBEWBOUYJATK-RUZDIDTESA-N 452.672 2.646 30 10 JFEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690169849 QMVYHLODVSVPRY-KRWDZBQOSA-N 472.640 2.558 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690180987 OBEFTPYVFPGELM-NTKDMRAZSA-N 456.612 2.823 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690299237 KGPPXAISOXERRI-XDHUDOTRSA-N 483.573 2.622 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690306242 QEDITWLTIBGOLW-KRWDZBQOSA-N 479.976 2.963 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)OC(C)(C)C2)cc1 1690678955 GNKMGCMNTLZNAC-SJORKVTESA-N 463.604 2.505 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1690681198 JIMADCJITGXVBE-OAQYLSRUSA-N 475.615 2.603 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCc2cnn(C)n2)C1 1690714772 USSXFHKWHMUMSG-SXLOBPIMSA-N 486.621 2.591 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690744659 RBPOYOCZUVHJEA-OAQYLSRUSA-N 476.691 2.964 30 10 JFEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1691919377 GDUHJEYOAKFBTM-TZIWHRDSSA-N 456.616 2.971 30 10 JFEE CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1691947917 HEDZBANNRORXCG-PZJWPPBQSA-N 472.615 2.635 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cccn3C)nnc2N2CCC(CC#N)CC2)s1 1693158910 AGKZASGXLJNPFT-UHFFFAOYSA-N 473.628 2.762 30 10 JFEE CN(C)C(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC#N)CC1CC1 1696590047 DIQCDMZJXZQINY-UHFFFAOYSA-N 459.595 2.611 30 10 JFEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705616867 HXHAYPZCLUJUOJ-GMAHTHKFSA-N 485.654 2.736 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705630959 MRNUDVGUOMOBQI-DHLKQENFSA-N 454.571 2.898 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@H]2C)n1 1705632299 ZKVORXCGLBKDON-CTNGQTDRSA-N 463.586 2.804 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC(=O)NC)CC1 1705644906 FXPPNONIMKDFCH-UHFFFAOYSA-N 485.013 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)OCC)CC1 1705650301 OTGVIHSYYIZDHW-UHFFFAOYSA-N 453.587 2.658 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705739271 AJUYEIOCORMYBA-IUKKYPGJSA-N 475.615 2.635 30 10 JFEE C=Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C=C)CC2)cc1 1705773972 GQXVCLJMJNCJQT-QFIPXVFZSA-N 471.627 2.899 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NC)CC1 1705789579 PMZACXDDURDJOR-UHFFFAOYSA-N 473.647 2.803 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1705819500 MVPUXSPFQFGWHC-FQEVSTJZSA-N 473.643 2.786 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705830204 KVSAWPHQQSIOAZ-QRVBRYPASA-N 463.579 2.547 30 10 JFEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705889175 SSDYHDIGMZCQIT-UHFFFAOYSA-N 463.604 2.790 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705896355 JXADBJPNYDRYGO-YJBOKZPZSA-N 459.392 2.683 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705906612 KGPALENRSXWUMM-GOSISDBHSA-N 480.535 2.849 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CCCC2)cc1 1705911696 NSRKOTQJYLNHNI-QFIPXVFZSA-N 489.642 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCSC1 1705930958 AEXISKFYVMYMPU-CQSZACIVSA-N 474.450 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1705935350 OIYDAWVMVZNJHP-UHFFFAOYSA-N 465.579 2.864 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1705935654 YRZWREZHXUDWSL-UHFFFAOYSA-N 494.061 2.864 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 1706867962 IFAUGMNILUZZBX-PKOBYXMFSA-N 489.621 2.684 30 10 JFEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1707904618 DXRQJPBBWPYLBL-XMMPIXPASA-N 451.619 2.527 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1710307697 IDVSSLILQGGXRS-UHFFFAOYSA-N 465.602 2.674 30 10 JFEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 1710880871 FQWBHZOKPCVBCM-UHFFFAOYSA-N 471.505 2.942 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccnc1N1CCOCC1 1722306244 PNWZAJCTANGXOH-HMXCVIKNSA-N 452.603 2.935 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1722309664 YSRZONYTEBPEMI-ROUUACIJSA-N 469.615 2.952 30 10 JFEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722311469 WMKYCENAFHOOHH-LJQANCHMSA-N 450.587 2.546 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722336033 GRXFOPPDLKRFEU-QGZVFWFLSA-N 465.570 2.668 30 10 JFEE C#CCCCn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722341077 RMIPURJZTBDLQC-PLXFJCCSSA-N 472.678 2.727 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1 1722357776 PBXLNMQSUJTCPB-ZCNNSNEGSA-N 460.623 2.919 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(OC)nc1OC 1722401797 BKZKZAWQRJAOOF-UHFFFAOYSA-N 468.945 2.782 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1722417721 QPSOCVXVDFWMPI-MHECFPHRSA-N 491.633 2.999 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1Cl)N(C)C 1722419228 ULJYPPKYDNHGCT-FQEVSTJZSA-N 458.994 2.556 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722430688 IDEFYDIYOKQBPL-RSXGOPAZSA-N 477.701 2.849 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccsc2Br)CC1 1722439763 OONRUGZLRYOLEQ-UHFFFAOYSA-N 457.401 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2c(C)nn(C)c2C)CC1 1722443806 BFGALCITSMATIV-LJQANCHMSA-N 493.587 2.922 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722457829 OXVYEVYKOJXDMT-UHFFFAOYSA-N 468.608 2.544 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1722459912 UDSFACSKOQCPMY-GOSISDBHSA-N 460.003 2.764 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722485175 YNUAJIMDKFUJMY-KRWDZBQOSA-N 467.412 2.809 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722592126 SMDYLSYNNGCYOG-NRFANRHFSA-N 458.651 2.909 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722604729 JGCHJTWRMHYXGS-MSOLQXFVSA-N 483.635 2.566 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NC)CC1 1722622823 UZPLAZUTQNJDJG-UHFFFAOYSA-N 465.396 2.601 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(C(=O)N(C)C)c2)C1 1722721882 XNMQDOBTHWMHGZ-QHCPKHFHSA-N 477.613 2.866 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1722723605 AQMQCADMMVRXDB-GJZGRUSLSA-N 456.515 2.761 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCN(C(C)=O)C[C@H]3C)nnc2[C@@]2(OCC)CCOC2)cc1 1722730815 DIUYRCDYLLVEQT-KBMIEXCESA-N 469.586 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 1722732141 VFHMSWCLTAMRTM-UHFFFAOYSA-N 469.592 2.954 30 10 JFEE Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1724120694 DTMPRUCYNYFSDS-UHFFFAOYSA-N 450.543 2.989 30 10 JFEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C)NC(=O)OC(C)(C)C 1727251672 BIMYMNRIOKNWPP-APWZRJJASA-N 467.574 2.787 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1727925162 CKJFHRYBWWUHCV-KRWDZBQOSA-N 486.646 2.531 30 10 JFEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1729304455 HTYJQTTWZUWWTK-BGYRXZFFSA-N 479.585 2.598 30 10 JFEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1731185795 DWEHOBFULOSVGR-DLBZAZTESA-N 470.883 2.590 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCn1c(O)nc2ccccc21 1740601869 LIBFPPMUIPDYSW-UHFFFAOYSA-N 454.332 2.871 30 10 JFEE C#CCN(c1nnc([C@@H](C)OCCOC)n1[C@H]1C[C@H](c2cccc(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 1740617136 MIXHCOSTGSAKJH-JHMKDJTOSA-N 490.601 2.887 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1740619268 NFLNMZNGLHDREO-IBGZPJMESA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1740624604 ILHLMDWACSXUSM-FQEVSTJZSA-N 485.997 2.623 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1740634636 GQJZRFXXQXQDOX-UHFFFAOYSA-N 485.972 2.974 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1740673773 GVASSLHQBMGQOD-JOCHJYFZSA-N 461.614 2.868 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740721619 OKZXCUSGMIIPBE-IFMALSPDSA-N 455.628 2.689 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OCCOC 1740723940 WIWVKAIWLYVQDI-RUZDIDTESA-N 460.538 2.991 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C(C)C 1740726658 ILCMZMARYXDGPO-HSZRJFAPSA-N 457.600 2.503 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740781835 BPSFRTZNXAXHRN-ZWKOTPCHSA-N 452.559 2.881 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1740918966 XZHWDHPYQSTRGP-QFIPXVFZSA-N 482.610 2.555 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740965401 IURSRXGORZUNET-IFMALSPDSA-N 494.640 2.522 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)c2ccco2)C1 1740976040 ZKZDYMAXGJNDBU-WZONZLPQSA-N 472.567 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740984970 AFJLDIWNOJHOIH-UXHICEINSA-N 488.658 2.667 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCCCCC1 1740991861 GWIUMALNEWYSEW-UHFFFAOYSA-N 473.647 2.823 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)C1 1741019142 XCQPKWCMGVBTOX-YADHBBJMSA-N 466.586 2.565 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1741799204 IAJDDLHNQFVENW-HZPDHXFCSA-N 498.579 2.861 30 10 JFEE CNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1748085147 CNAYUVQEJAYVED-UHFFFAOYSA-N 472.597 2.624 30 10 JFEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1748745990 WYVPGSPRPOPTOH-IBGZPJMESA-N 469.611 2.880 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748766368 OBQDKRWIIIXILG-WMZHIEFXSA-N 457.962 2.659 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748801465 AHVDUCPXOUBPPG-HXUWFJFHSA-N 487.626 2.589 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1748808194 AWEMPYMFRKQIBW-CQSZACIVSA-N 480.928 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H]1C(C)C 1748886275 CWTYVQPSQIHNHS-XXBNENTESA-N 458.566 2.716 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1748995057 XRYSDESHNFUCKA-DEOSSOPVSA-N 450.631 2.775 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N2CCCCCC2)CC1 1749000409 VJHHKKXECMSSJF-FYYLOGMGSA-N 470.662 2.745 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSCc2ccccc2F)CC1 1749001039 FEARTSXWLSIEIA-UGKGYDQZSA-N 473.618 2.830 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(CC)(CC)OC)CC1 1749017046 UHKPMZHDMCJODM-UHFFFAOYSA-N 477.613 2.688 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCCN1CCN(CC)CC1 1749055008 CUHZCTYDEJKQDV-FTJBHMTQSA-N 472.678 2.729 30 10 JFEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1749104268 OKXGGTUKQOPKKL-CABCVRRESA-N 472.384 2.720 30 10 JFEE C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749200356 AJCFXBDGJLDHNK-GOSISDBHSA-N 479.647 2.715 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749354168 KMSUGQLBBQCTKM-PMACEKPBSA-N 480.613 2.784 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1749368755 PGINRFDBMCPPND-SFHVURJKSA-N 483.038 2.898 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1749737901 ALYMWWROFCLABA-UHFFFAOYSA-N 494.543 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1 1749741112 PSRRJTKQUXXBGA-ZWKOTPCHSA-N 497.662 2.812 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1cccs1 1751090938 CLKACKXYKPQTCI-KSFYIVLOSA-N 488.639 2.903 30 10 JFEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1752311411 AHIRPBWTMIGJAZ-FRQCXROJSA-N 464.492 2.693 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCn2ccnc2C)c1 1760127474 AEDIQRHLPLKDDF-UHFFFAOYSA-N 454.538 2.525 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1760180519 GQVJFRSMNPDWIT-OAHLLOKOSA-N 467.364 2.883 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760184628 XLWUTCVQWBQLJL-RXVVDRJESA-N 490.626 2.650 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1760185353 WCXWCZVLDWNQMM-LJQANCHMSA-N 488.610 2.753 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760187837 YECRLCHMEOURNT-SFTDATJTSA-N 456.612 2.619 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1760199548 YZUYBILVMZSSFV-OAQYLSRUSA-N 473.581 2.828 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1760212015 QBHDNOHVCDLNNJ-AREMUKBSSA-N 476.556 2.961 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1CCN(C(=O)OC)CC1 1760240551 UWPYXPKXBVJLPY-UHFFFAOYSA-N 470.549 2.674 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2nccs2)CC1 1760261014 IUOSJYIIVHYKFU-UHFFFAOYSA-N 473.400 2.880 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760339978 DOTPDRPROYGMRX-GUDVDZBRSA-N 453.653 2.881 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760379788 HWSIYDYELHHUJV-MRXNPFEDSA-N 471.986 2.857 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1760449716 SBQICXTUNPAAMF-UHFFFAOYSA-N 453.591 2.993 30 10 JFEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1760512677 YUEWKALRLBKYBA-UHFFFAOYSA-N 477.613 2.828 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2ccccc2)CC1 1760553391 BPDPPLWWDOHHOJ-UHFFFAOYSA-N 480.638 2.962 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760557989 CNRPYHDSRPWYHB-NCXUSEDFSA-N 454.637 2.659 30 10 JFEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1766249174 BJNAYYYGMUHMGO-UHFFFAOYSA-N 477.613 2.962 30 10 JFEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCCC2)C1)S(C)(=O)=O 1768788781 DOKMZDJQFGIRRI-QFIPXVFZSA-N 499.685 2.801 30 10 JFEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2ccccc2Cl)C1 1771360326 BOMAVDXIPBYXPI-HXUWFJFHSA-N 493.033 2.637 30 10 JFEE CC[C@@H](C)[C@@H](C(=O)Nc1c(C#N)nnn1Cc1cccc(OC)c1)N1C(=O)c2ccccc2C1=O 1870112115 PTTCEOHNMAURMA-VFNWGFHPSA-N 472.505 2.856 30 10 JFEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870151124 MXARGARWKKHGBI-AWEZNQCLSA-N 464.869 2.791 30 10 JFEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870349063 YJAIPCNCTFFQAZ-UHFFFAOYSA-N 459.550 2.663 30 10 JFEE C#CCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870561169 BURSZJBKMMLDAJ-UHFFFAOYSA-N 474.517 2.845 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN1CCC(N(C)C)CC1 1870701454 YAVHIQVNIASHOI-UHFFFAOYSA-N 468.598 2.977 30 10 JFEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 1871507384 MRDJQDJPWMPFEI-UHFFFAOYSA-N 479.610 2.742 30 10 JFEE COc1cc(Br)cc(/C=N/n2c(SCC(N)=O)nnc2-c2ccccc2)c1O 1874427458 KTRCPCFECNAQNY-ZVBGSRNCSA-N 462.329 2.881 30 10 JFEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3c(F)c(F)cc(F)c3F)CC2)CC1 1890664106 FGTDWPOZTCUNPR-UHFFFAOYSA-N 455.496 2.894 30 10 JFEE COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C#CCN(C)C)CC2)cc1 1892070846 PFRCACAHGYPHLX-HXUWFJFHSA-N 499.633 2.958 30 10 JFEE COCCOc1ncccc1CNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1892112440 QGLDAVBOEHIOPE-FCHUYYIVSA-N 468.579 2.688 30 10 JFEE CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CCOCC1 2124537733 BDFQVKOQXWGDBJ-FVQHAEBGSA-N 450.385 2.859 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2255625078 MKKWTRKIXCCXGY-GXTWGEPZSA-N 451.398 2.736 30 10 JFEE CC1(C)OB(c2cccnc2C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C 2255694560 POOROEUMERYUKX-UHFFFAOYSA-N 465.359 2.912 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2255810845 NVIRABIPVXULQJ-AWEZNQCLSA-N 451.398 2.962 30 10 JFEE C[C@H](C[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2255837397 ORSCFVGQZQDMLI-VEWZGRNOSA-N 473.426 2.594 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256595234 JHNSXEMIAYRPCI-BFHYXJOUSA-N 451.398 2.608 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256892820 TVVPFLHUAXFXHT-AOYOOGHLSA-N 455.361 2.916 30 10 JFEE CC1(C)OB(c2ccnc(O[C@@H]3C[C@H](C(=O)O)N(C(=O)OCc4ccccc4)C3)c2F)OC1(C)C 2265980161 IPCMKHOKNNOHIA-SJLPKXTDSA-N 486.305 2.763 30 10 JFEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CC1 2267122750 OGSTYDVSJVAENH-IYARVYRRSA-N 451.417 2.918 30 10 JFEE Cc1nc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267169001 HAROPYZQOQAHDB-SFHVURJKSA-N 452.389 2.601 30 10 JFEE Cc1cc(S(=O)(=O)NC[C@H]2CCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2267358120 XDNFVDCVPJUSSS-HXUWFJFHSA-N 456.417 2.847 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267547674 MZUFHYVCGHKHLZ-LSDHHAIUSA-N 463.409 2.771 30 10 JFEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CC1 2267572946 CFPYYOBMKIOMQR-UHFFFAOYSA-N 451.417 2.918 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267606955 GDKDCAPJUXUMLZ-SJKOYZFVSA-N 452.307 2.907 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267723435 UAMXFPWBRYWRJF-INIZCTEOSA-N 486.465 2.866 30 10 JFEE CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1(C)C 2268651188 NOOPVFLDOPTPQI-HJPURHCSSA-N 450.385 2.836 30 10 JFEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2273931394 IQYOFSDNWJJRSE-AWEZNQCLSA-N 452.332 2.628 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2281804279 JOPAUKDJSVWMEO-HOTGVXAUSA-N 464.368 2.547 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2281976059 WGCCVLYYZAYLAW-QHCPKHFHSA-N 480.436 2.848 30 10 JFEE CC(C)[C@H](C)[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2281977643 RZQNTSLDRKFTGM-RDJZCZTQSA-N 464.416 2.635 30 10 JFEE Cn1cc(C(=O)NCC2CCC(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2281979197 BVYRYMUWPWDLHD-UHFFFAOYSA-N 462.400 2.533 30 10 JFEE C[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281979406 DEMZEXYBPOAYAT-CVEARBPZSA-N 462.400 2.627 30 10 JFEE Cc1csc(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2282006375 VIHZTIXZAUUWEC-RKTXRCNFSA-N 478.420 2.766 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2282181202 CHHKYIIVFFOKAY-QHCPKHFHSA-N 465.375 2.793 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccco1 2282190187 FWFYTBUNWFCECL-INIZCTEOSA-N 459.352 2.913 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]34C[C@H]3CN(Cc3ccccc3)C4)c(F)c2)OC1(C)C 2282315862 UIDHQBCKBSEGKG-MHECFPHRSA-N 472.391 2.678 30 10 JFEE 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C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C 1595812378 RFRKMRYQRZOOJL-KRWDZBQOSA-N 457.600 2.955 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(F)cccc1N1CCCC1 1613594139 BZEGQUCWHXSSHG-SFHVURJKSA-N 469.565 2.713 30 10 JFEE N#Cc1ccc(OCC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cc1Br 1633874526 AZQQRUJZSWUTFW-LJQANCHMSA-N 458.356 2.973 30 10 JFEE C#CC[C@@]1(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)CCCN1C(=O)OC(C)(C)C 1634708159 LZDUJSVFDJWKEI-VLIAUNLRSA-N 455.481 2.812 30 10 JFEE C#CCN(C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1)[C@H]1CCS(=O)(=O)C1 1673232055 FDYDDYIVXPLLJO-QFIPXVFZSA-N 450.516 2.527 30 10 JFEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc21 1674679792 SSTQJXWMHYEPJP-UHFFFAOYSA-N 450.524 2.632 30 10 JFEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)cc1 1674974270 DFBOHZQQQKKTFH-QGZVFWFLSA-N 452.511 2.920 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1678812396 DTTGQMAMISZRAF-QGZVFWFLSA-N 451.470 2.770 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)nc1 1689963975 BWWPQOKTYSKTJD-IBGZPJMESA-N 453.591 2.971 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1689980511 SWADQTHGUUFSRY-YPAWHYETSA-N 454.596 2.792 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689986929 ZUCZTQLBIGKZOO-WOJBJXKFSA-N 473.618 2.975 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689988011 HNLPGQSUKLWFQV-CZTZKLFOSA-N 471.627 2.871 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC(F)(F)F)CC1 1690111899 LXYJGMBOIGCRHB-HNNXBMFYSA-N 484.910 2.505 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccccc2Cl)CC1 1690113912 XTYIKLFYXBMPML-DEOSSOPVSA-N 458.006 2.970 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCN2CCOC[C@@H]2C)CC1 1690117848 XWJWVLAKDGIQJD-QHCPKHFHSA-N 480.657 2.846 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OC(C)C)CC1 1690132611 TXXNHJSTWQKSRG-UHFFFAOYSA-N 478.622 2.860 30 10 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C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CN2CCOCC2)CC1 1690474146 UCDJZQCGSVHOJG-UHFFFAOYSA-N 473.643 2.863 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1690663528 ZNFPGSJGMYOZDM-QUCCMNQESA-N 457.600 2.810 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1690672826 FHFXBROFRVEXQY-FQEVSTJZSA-N 462.529 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCc1nccs1 1690724936 ZEHYVZWBCDFBRP-GOSISDBHSA-N 475.596 2.527 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)OC(C)(C)C 1694115238 CFZNTFHRGJONLK-MRXNPFEDSA-N 471.610 2.557 30 10 JFEE CC[C@@H](C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1694197599 AJJQSKMVOCPTNV-HXUWFJFHSA-N 461.618 2.997 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(Cl)cn1 1705480962 ZMNOLKYKLRZKDM-CQSZACIVSA-N 460.995 2.555 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOCC1(C)C 1705598344 HHHKIMHBFFUDIU-JOCHJYFZSA-N 498.672 2.966 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1705605298 HGZMCOPDYZIRHS-HXUWFJFHSA-N 453.465 2.883 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1Oc1cccc(F)c1 1705627965 UDDAKJFDOSWORG-HXUWFJFHSA-N 464.501 2.690 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCS2)CC1 1705640613 YOVRKPLRDCPXES-VQTJNVASSA-N 490.674 2.627 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(Cl)nc2)CC1 1705642938 MYOBGXGYQDSEPH-UHFFFAOYSA-N 452.946 2.718 30 10 JFEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705689840 AUTNJBOVHJGOTK-KRWDZBQOSA-N 473.375 2.600 30 10 JFEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705720185 BMPOZNLZKGVPGD-KRWDZBQOSA-N 450.584 2.503 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705729197 OOJCIDPUIDCLIB-UHFFFAOYSA-N 475.638 2.517 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705731660 ZVQAHMWCEHHLKA-SJLPKXTDSA-N 452.552 2.773 30 10 JFEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 1705798240 NNHGANCOIZSQTO-DHIUTWEWSA-N 466.630 2.917 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1705806110 XCPBRUJCRJENKS-HXUWFJFHSA-N 461.607 2.998 30 10 JFEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705829639 YEDBTBROQWTKCG-IBGZPJMESA-N 493.612 2.715 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1705856874 JMBUXFXFKBLBFN-JOCHJYFZSA-N 469.586 2.970 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1705909162 PHXCDFKUCQXYKQ-DLBZAZTESA-N 498.575 2.903 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1705931644 WMRSMECHSOCITH-SFHVURJKSA-N 483.594 2.792 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1705931860 CQNLDEKAVGWDIE-KRWDZBQOSA-N 473.603 2.775 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1705936553 SZJOCJTXBQFQJF-PZJWPPBQSA-N 495.045 2.986 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCSC[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938532 BDRGYTFZWNGOTD-ZACQAIPSSA-N 485.676 2.591 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705947432 KWLHGHGCTXAOHS-REWPJTCUSA-N 483.686 2.562 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705948226 LVDUZXLICDIOOZ-UHFFFAOYSA-N 453.572 2.605 30 10 JFEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1 1708075987 FECRXIDHISVSET-SFTDATJTSA-N 451.619 2.706 30 10 JFEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1709211392 GGCRDGVUTFKNOM-YFVAEKQCSA-N 472.615 2.635 30 10 JFEE CCCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2CCCS(C)(=O)=O)c2ccccc2c1=O 1709805756 HAHNLITZFFIVHZ-UHFFFAOYSA-N 497.625 2.630 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(C(F)(F)F)n1 1710731685 CANHDPDBONGQQB-UHFFFAOYSA-N 472.475 2.870 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCSC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 1711026110 FMERUVSRMDRRDU-UHFFFAOYSA-N 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1507918847 IWKPGSACISTJJP-UHFFFAOYSA-N 494.640 2.949 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508074338 SACLJKDXCWYMBB-MWTRTKDXSA-N 477.512 2.623 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)=C(C)C2)cc1 1508101107 TYKLXAGDULKDGB-QFIPXVFZSA-N 487.626 2.771 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nc(C(F)(F)F)cs2)C1 1508109946 POPSPYZEIWICQA-CYBMUJFWSA-N 458.510 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1508133425 JAHVYDPTVRSUDO-AOMKIAJQSA-N 497.017 2.592 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1508135341 LMKWRUCHCFATGU-HXUWFJFHSA-N 496.637 2.755 30 10 JFEE C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)N(C)Cc1ccccc1 1509980885 COGAGCVDTYSILL-SFHLNBCPSA-N 458.632 2.829 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCSCC1 1516341695 AAGRWNHZPPYBQZ-JOCHJYFZSA-N 460.579 2.747 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)c1 1526854062 VYEZZULYHZIUSF-UHFFFAOYSA-N 458.518 2.676 30 10 JFEE C#CCSc1ccc(COC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 1538704375 NMGCVEYVVKBQDS-UHFFFAOYSA-N 458.605 2.916 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(CN2CCOCC2)c1 1538962466 JSBZNYVEODYBGD-IBGZPJMESA-N 452.603 2.535 30 10 JFEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539139746 OHQUILRRMKBLGV-GOSISDBHSA-N 463.579 2.517 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539210299 CHRAHCUXQOGNFR-IRXDYDNUSA-N 478.018 2.530 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539211753 OMGALMQTUXYOJG-FCHUYYIVSA-N 455.628 2.692 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1539213000 ZKPCXRQHYLWEFU-GOSISDBHSA-N 489.548 2.754 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1539213103 VUVLVUQUSBHVQE-OAQYLSRUSA-N 495.605 2.731 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539215412 BLOPIGNIIKALSS-HNNXBMFYSA-N 481.500 2.980 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539230710 PHBMUNPIVWRXKZ-LJQANCHMSA-N 479.562 2.614 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1ccncc1 1539259836 IIEPKIMXZKXHRB-UHFFFAOYSA-N 451.534 2.776 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 1539274129 DEJUOBIOXQGZEE-MDZRGWNJSA-N 454.324 2.973 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539331963 BPTFSXBUFNJIEW-UHFFFAOYSA-N 473.650 2.979 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1539447527 UFFRDUBZBWQBND-IBGZPJMESA-N 460.623 2.621 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](OC)C2CC2)CC1 1539460197 ZUTYVEGPJYPJKO-FQEVSTJZSA-N 474.403 2.800 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](OC)C2CC2)CC1 1539473767 AKPLOBLHEZRBQN-OAQYLSRUSA-N 471.989 2.998 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C)N(CC)CC)CC1 1539477734 WZRQSZYBUVHQPM-OAQYLSRUSA-N 488.640 2.827 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1539613367 WKBCBNQWZCZMGY-IRLDBZIGSA-N 480.613 2.796 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)cc1OC 1539627980 LZVYKHHFXTZJCT-JLMWRMLUSA-N 455.559 2.864 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539638378 YVBJEVFICFXMMQ-ARNLJNQMSA-N 474.694 2.689 30 10 JFEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539823349 AUIIISKZYFXPMP-XMMPIXPASA-N 495.068 2.596 30 10 JFEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539971363 DYUUMXDBMXHVCE-UHFFFAOYSA-N 477.613 2.880 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCOCC2)CC1 1540021372 SHDHJKMCGRXSHN-UHFFFAOYSA-N 479.423 2.929 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1540120753 VQOZDRKKBPGWSN-GBXCKJPGSA-N 470.643 2.868 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1540126885 MKSFMQPMMNZJCW-UHFFFAOYSA-N 452.603 2.818 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1540147944 QFKXCXQPQXFSLJ-KNQAVFIVSA-N 467.593 2.997 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 1540643112 GJTXYLCEKHLCHE-SFHVURJKSA-N 450.967 2.805 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC)[C@@H](C)C1 1540865478 IEYMNRAAMRCELB-INIZCTEOSA-N 461.408 2.849 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1540870527 PPVYSZXDYWGAHW-KRWDZBQOSA-N 459.978 2.616 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@](C)(O)CC)C1 1540889982 XTRCFDMVGSBUIA-BXKMTCNYSA-N 452.559 2.617 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccn(C)n2)C1 1540891590 WWZWDMSEMQNXIV-FQEVSTJZSA-N 471.606 2.956 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540907836 KGBBYVIWMMFSKG-UHFFFAOYSA-N 464.636 2.738 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCOC2(CCCC2)C1 1540908578 JMJPOVLMPGWYCQ-UHFFFAOYSA-N 460.600 2.916 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC(C)C)C2)C1 1540954709 HOBMKWKAXKMEGE-GMAHTHKFSA-N 466.586 2.705 30 10 JFEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1541133470 HUFGHTFGCIHQRW-QGZVFWFLSA-N 491.518 2.626 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1541970209 GCNQGXLJESJJKK-HZPDHXFCSA-N 482.006 2.750 30 10 JFEE COCCNC(=O)[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367995 DQVQWHPXJIKTEH-NRFANRHFSA-N 492.473 2.739 30 10 JFEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cc[nH]n1)CC2 1548379469 SESLOLHDTRCSBR-GOSISDBHSA-N 474.487 2.747 30 10 JFEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCC(O)CC2)cc1 1554975863 HCSQXHDXYNSXTB-VWLOTQADSA-N 468.602 2.843 30 10 JFEE C=CCN1CC[C@H](N(C)C(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C1=O 1568184419 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JFEE COc1ccc(NC(=O)[C@@H](C)[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 586341120 AQVRPEAXUWMYIC-VEWZGRNOSA-N 461.565 2.840 30 10 JFEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OC)c2OC)c1=O 654765575 KSKVYZGSDMESDJ-UHFFFAOYSA-N 462.527 2.508 30 10 JFEE C[C@@](O)(CNC(=O)[C@H](CCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 757397872 HQDLUJRFEGYXCP-NVQXNPDNSA-N 479.533 2.929 30 10 JFEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cc(C(=O)O)ccn1 757470335 GHUIDSQSUWTAPA-UHFFFAOYSA-N 455.470 2.938 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 928993409 GCCZRSWKJODVTE-INIZCTEOSA-N 459.524 2.867 30 10 JFEE Nn1c(NN=Cc2ccccc2O)nnc1SCC(=O)Nc1cccc(Br)c1 1083956778 DECUWHFMVDHMTJ-UHFFFAOYSA-N 462.333 2.637 30 10 JFEE COc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc(OC)c1OC 1084084718 KKSXOZNFYUFYFF-UHFFFAOYSA-N 471.543 2.503 30 10 JFEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 1084289448 AJBDODZDJWLGJJ-UHFFFAOYSA-N 496.431 2.976 30 10 JFEE O=[N+]([O-])c1cc(C=NNc2nc(SCc3nnc(C(F)(F)F)o3)n[nH]2)cc([N+](=O)[O-])c1 1084411632 QFWOFUBIYNAPON-UHFFFAOYSA-N 459.326 2.761 30 10 JFEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 1084523592 KGCDOJWZANCCKM-UHFFFAOYSA-N 468.326 2.887 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1286298450 JWGFENFGVFIWIY-VQTJNVASSA-N 460.623 2.573 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H](C(CC)CC)N2CCOCC2)c1 1286308491 IWZIBHOCUMWRJJ-HSZRJFAPSA-N 452.603 2.780 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286387972 JHQWJGGQWRGHST-IFMALSPDSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286395127 ZBEXZOUGQBUXBE-OAQYLSRUSA-N 456.612 2.940 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286396638 WJUOIEUXCMGCNX-XZOQPEGZSA-N 469.655 2.678 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1286397055 KEHPAMBIWQHZDA-JOCHJYFZSA-N 455.566 2.864 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1286414550 ZDKCHOBWWTUQHS-SFTDATJTSA-N 471.602 2.517 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@H]1C 1286418499 CIWCBDOTPLGUPM-LJQANCHMSA-N 452.990 2.809 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC[C@@H](C)C1 1286461755 WTKQIHHGXMXASR-LJQANCHMSA-N 453.591 2.522 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286485777 XYNVJEVWNJQTEC-XLGIIRLISA-N 469.605 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C)CCOCC2)CC1 1286491125 GIOJUGVBUPWQJT-UHFFFAOYSA-N 471.552 2.930 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)CN2CCCC2)CC1 1286491336 NMWMLZNDHIHWRJ-UHFFFAOYSA-N 492.668 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)CC1 1286492296 IOTRYEFRYDCPPG-UHFFFAOYSA-N 496.015 2.843 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Br)cs2)CC1 1286494061 RBLCJVYKIWGHED-OAHLLOKOSA-N 478.416 2.620 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1286495502 XRMLYUCNFVVTQG-OAQYLSRUSA-N 453.612 2.719 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCN1CCOCC1 1286551736 IWZVFJRWBFBEDG-WMZHIEFXSA-N 471.602 2.712 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1286585263 FEZVLTWKBZBSJZ-KBAYOESNSA-N 482.651 2.594 30 10 JFEE C=C(Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O)c1ccccc1 1286616938 FKQANULMSOGXQP-KRWDZBQOSA-N 481.626 2.960 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C(CC)CC)no2)CC1 1286663487 MQVGOFICAQHYEZ-NRFANRHFSA-N 492.646 2.953 30 10 JFEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286708652 RMRCFKVHOBQSSN-PXDATVDWSA-N 491.640 2.788 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1286722006 AQEPTOSJYXXMAH-UHFFFAOYSA-N 465.602 2.705 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1286765663 HLYDFBPMKZHVDW-ZCNNSNEGSA-N 463.604 2.656 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286793869 OIHJAGISYRGACY-SYYKKAFVSA-N 458.651 2.810 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286817067 OTDAKBCRYJXAAI-AWEZNQCLSA-N 492.955 2.667 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@@H](C#N)C2)C1 1286858433 HNTNBRNLPHXVEL-WBVHZDCISA-N 491.365 2.834 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1286958753 BLEUJELCLZCYSK-RTWAWAEBSA-N 487.612 2.732 30 10 JFEE CC(C)(CN1CCCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1287092707 AEBDYFVJLSXTOQ-QHCPKHFHSA-N 474.606 2.913 30 10 JFEE CN(C)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 1296726964 AACJPWLXBWJWRS-IBGZPJMESA-N 453.486 2.911 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)C(C)C)c1 1300336437 IQNUJNMEAXJRJD-RUZDIDTESA-N 463.586 2.603 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(C(=O)N(C)C)CCCC2)c1 1300337157 UTGUDXSZYMZKFG-UHFFFAOYSA-N 466.586 2.519 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300482892 IMBVOOKOOYEWQC-HKUYNNGSSA-N 490.651 2.732 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300483996 QGHXYLJWDGOQHP-FGZHOGPDSA-N 469.611 2.895 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1300503533 DDOACSASFDJUIS-SFHVURJKSA-N 470.551 2.524 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1300503555 DNRQQOIEFIMJKQ-LJQANCHMSA-N 462.641 2.854 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)C)CC1 1300716885 UJSQURLJNJPWIU-UHFFFAOYSA-N 455.559 2.593 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)CC1 1300719744 OJJXFTFZKUKOCM-UHFFFAOYSA-N 474.565 2.566 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@](C)(O)c2ccccc2)CC1 1300722008 FTWUSBGICPIBJB-HHHXNRCGSA-N 472.593 2.912 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300843378 AOVSVZKOGXGNFY-HNNXBMFYSA-N 454.394 2.961 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300878012 ZFCIPGHNBCBPHJ-NRSPTQNISA-N 459.978 2.921 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1301040038 BHJOSHMMGXZTCQ-OAHLLOKOSA-N 452.964 2.513 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301262072 QMZMIKKHVYRMFV-MOPGFXCFSA-N 497.662 2.956 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 1301492217 ASPXPACGWIYSRX-UHFFFAOYSA-N 470.574 2.561 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccc(O)cc2C1 1301501573 ZEACMGARFWHKDL-LJQANCHMSA-N 496.612 2.963 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1301508301 HKRJAHAQJGDEFC-UHFFFAOYSA-N 463.567 2.712 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301530622 XGEGQQOVVPVHNR-WAOWUJCRSA-N 475.615 2.507 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301585668 NKVZFWUMAKNXED-SFHVURJKSA-N 497.499 2.968 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC1(C)C 1301587832 YDQYOWSMEDUCHC-UHFFFAOYSA-N 486.686 2.622 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCn2cncn2)cc1 1302993725 GGCAJCJXCAAWNZ-GOSISDBHSA-N 476.463 2.568 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)s1 1303557866 VKWCAULNHZDZRY-OAHLLOKOSA-N 457.618 2.613 30 10 JFEE N#Cc1ccc(OC2CCC(NC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)CC2)nc1 1356603666 FKJUOSSWIMOJQJ-UHFFFAOYSA-N 454.571 2.959 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC[C@@H](C(F)F)N2CCOCC2)c1 1358901350 ICWZYCWYIRFNPV-NRFANRHFSA-N 497.550 2.685 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1358961078 RHFJBKFPWIEJFH-IBGZPJMESA-N 457.600 2.564 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1358973921 KLXNHMQGRPDLLC-SZPZYZBQSA-N 471.613 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471.569 2.687 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740616729 FYIHLZYJRAWRTL-UEVCKROQSA-N 469.655 2.929 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740648859 SUDUFGJWELDORK-UXHICEINSA-N 487.029 2.661 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1740680830 OZZWMEFVWGSHPH-QPPBQGQZSA-N 472.611 2.640 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(CC)n2)CC1 1740702270 ZAJSKULNOBPVNX-UHFFFAOYSA-N 459.579 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(SC)CC2)CC1 1740703305 NAEFXWSDUCKZJN-UHFFFAOYSA-N 469.611 2.824 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCCCCC2)CC1 1740708035 ZQBUBIGLYXNQCS-UHFFFAOYSA-N 495.624 2.917 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OCC(C)C)C1 1740716178 ULHYKGAJVKRMNC-SFHVURJKSA-N 476.672 2.856 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@H]2C1 1740721668 PRJHYEKTZGFYOV-HNNXBMFYSA-N 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2.687 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nccn1C(F)F 1740916394 LOVGMTLNIWMDMN-QGZVFWFLSA-N 452.469 2.933 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1740919493 IDMNRLXHVYFUCF-WZONZLPQSA-N 478.590 2.697 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1740934495 GUFUJIUBSLYBOL-FGZHOGPDSA-N 487.626 2.539 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740947079 NVESFPFKFRAIIF-PMACEKPBSA-N 471.606 2.989 30 10 JFEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1740948474 HJEUZUIDVZMGNU-UHFFFAOYSA-N 466.630 2.856 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740953825 RWHXUMRHIGDROB-UHFFFAOYSA-N 497.003 2.806 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](COC(C)C)C1 1740956072 GBRKAOVNTJZZNK-QGZVFWFLSA-N 463.966 2.540 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740958486 BITCLJIKZAKEDO-UHFFFAOYSA-N 493.568 2.817 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1740979925 DIBRIIXBKVBBHD-VWPQPMDRSA-N 454.619 2.933 30 10 JFEE CN(C)C(=O)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(C#N)c1 1747530654 BHCQNERRCZRAGW-UHFFFAOYSA-N 494.625 2.615 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)nc2)c1 1748694656 KNPGIPRVVMEHCN-UHFFFAOYSA-N 485.573 2.529 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1748731615 HUCLIAFOWYNMFN-SFHVURJKSA-N 496.678 2.775 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1748809174 KEOGNMHDCROKLE-QHCPKHFHSA-N 491.621 2.797 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCNC(=O)OC(C)(C)C 1748835876 LKNUBUVSOIEMEA-UHFFFAOYSA-N 453.543 2.950 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1CCC[C@H]1CO 1748901833 AWRMKZKCULJSSB-YTFSRNRJSA-N 455.647 2.897 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2scnc2C)CC1 1748977749 BIVHAYDSVPBBFH-UHFFFAOYSA-N 474.432 2.809 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cn(CCCCC)nc2C)CC1 1748994972 UYUVMOLXXZSLBY-UHFFFAOYSA-N 463.634 2.638 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)C2CCCCC2)CC1 1749009702 WELQIIPDKCPRKK-VWLOTQADSA-N 450.587 2.637 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749026912 JLMLOMPSJCOXCU-MRXNPFEDSA-N 468.048 2.731 30 10 JFEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1749032108 VTNULMYEFQOHBO-UHFFFAOYSA-N 460.607 2.906 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC 1749101459 CAHRHKBSTDIXPR-INIZCTEOSA-N 469.405 2.776 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749133543 MWXGUIJGTZPPKW-WHLIWEHUSA-N 454.619 2.791 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1749272593 WPJDBZASFWUHML-UHFFFAOYSA-N 455.950 2.755 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCc2cnn(C)n2)CC1 1749288339 RZIFVARKBAHIKK-UHFFFAOYSA-N 453.547 2.889 30 10 JFEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCC(=O)N2CCOCC2)CC1 1749348026 WXMVZQJTZIBIHM-UHFFFAOYSA-N 455.559 2.517 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749406280 GJDFXFILKGRJDJ-OALUTQOASA-N 458.632 2.783 30 10 JFEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749407095 UUEPTTOGYZMQSJ-UHFFFAOYSA-N 458.588 2.557 30 10 JFEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNC(C)=O)CC1 1749448805 BXBWZKODBZZIAO-UHFFFAOYSA-N 455.559 2.662 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1749558258 SCMNLBJITFYTIT-UXHICEINSA-N 485.036 2.906 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1749659537 GONOXAUGAHPBLG-UHFFFAOYSA-N 485.585 2.777 30 10 JFEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1749670262 PFFZULPIQWGTDP-UHFFFAOYSA-N 457.623 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCN(c2nc(C)ns2)CC1 1749729807 SHOIIXAUNRFXPW-UHFFFAOYSA-N 491.618 2.562 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1749760832 OLRYGHYILHHGPD-UHFFFAOYSA-N 479.654 2.904 30 10 JFEE CC(C)(O)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1750528333 BAMJMIAPFGIHMR-LJQANCHMSA-N 457.600 2.586 30 10 JFEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1752419518 CLBWAFZJIAIFRO-SIKLNZKXSA-N 468.602 2.701 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760170590 IQIHQGPMUVHJKW-MRXNPFEDSA-N 465.558 2.658 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1760183276 PUOLEHZWKSPUOS-HUUCEWRRSA-N 450.634 2.616 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1760186227 LDPRHQPXYBHQNV-HXUWFJFHSA-N 456.612 2.867 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1760250094 DGDBSWXEVIQIIB-FQEVSTJZSA-N 454.575 2.749 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(Br)cs2)CC1 1760261531 SYBJDGGNJAGMGA-UHFFFAOYSA-N 474.432 2.767 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2=CCCOC2)CC1 1760261748 WEQPCQNSMVCIIS-UHFFFAOYSA-N 472.387 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC(C)C)CC1 1760268243 GKQCDIQAZOAABG-UHFFFAOYSA-N 485.658 2.640 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)cc2F)CC1 1760269494 JUEATMXNXHYHRR-OAQYLSRUSA-N 455.534 2.682 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760275882 LXVJMSPEEJYZBN-LJQANCHMSA-N 468.583 2.962 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760346390 WDBIEGUDKNQDNS-HUUCEWRRSA-N 461.485 2.930 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760431943 CZHYNPNTTQYNEH-HOTGVXAUSA-N 451.597 2.745 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1760516648 SBWKDFAIQYYOQK-YJBOKZPZSA-N 472.546 2.894 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1760527939 NBEUTEHTYKCTNO-HNNXBMFYSA-N 453.465 2.947 30 10 JFEE 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C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C(=O)NC 1300742549 MVPFMYBQAMACPP-LBPRGKRZSA-N 456.435 2.954 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1300750781 BQRKXSIKRWMFGG-UHFFFAOYSA-N 474.594 2.617 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1300801887 DVISPRPRWFMAIS-LAUBAEHRSA-N 463.629 2.860 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1300830883 MWROJVAGHXICJO-FPXQBCRKSA-N 459.385 2.683 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)COC)CC1 1300876560 REIUTQQIRNJCJW-FYYLOGMGSA-N 453.587 2.784 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCCS(C)(=O)=O 1300890944 WNZWBEGMGOPBBA-KKSFZXQISA-N 468.570 2.999 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCOCC1 1300905213 MAEOGVCCDXUVFN-UHFFFAOYSA-N 490.674 2.709 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(C)(C)OC[C@@H]1C 1300991650 PFMHGGKWHXJDII-KRWDZBQOSA-N 452.559 2.788 30 10 JFEE 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CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)C1CC1 1313807162 FOPDRUNTABKWQD-UHFFFAOYSA-N 485.658 2.551 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 1314080857 GXNLAMICVDROMK-OZXSUGGESA-N 482.629 2.795 30 10 JFEE COc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 1318232017 HCZDGKYRJGOETN-JQHMZKTJSA-N 450.557 2.722 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358960448 FBEWBLNSSLOUBF-CTNGQTDRSA-N 479.606 2.854 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1358964317 XHHYSKHSSLZNGJ-FPOVZHCZSA-N 455.628 2.555 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358967561 NAHOYLXGDOMNBY-FPOVZHCZSA-N 474.652 2.931 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccc(OC)cc1 1358979209 GMRFEUFNYSAAFK-JOCHJYFZSA-N 479.581 2.911 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCCS1(=O)=O 1359021187 FULCSQKETQZFJS-LJQANCHMSA-N 453.568 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462.641 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2ccco2)nnc1[C@]1(OC(C)C)CCOC1 1740993412 AGNMRVXWPQSRSV-AVRDEDQJSA-N 464.588 2.854 30 10 JFEE CC(C)N1CCC(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)CC1 1741620279 GRCSWIHNIHZUFC-UHFFFAOYSA-N 495.672 2.885 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCSCC2)CCCCC1 1744096203 AKZFNCRVDMVWHZ-FQEVSTJZSA-N 489.690 2.677 30 10 JFEE CCc1ccccc1OCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)C 1744399974 CMQBPKGEBZSPSS-HXUWFJFHSA-N 474.613 2.963 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1745953281 DQBRUAAQTUUKPK-RBBKRZOGSA-N 470.643 2.951 30 10 JFEE CCOCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1746997661 GBUYJVLEZKUYHB-PMACEKPBSA-N 452.559 2.741 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N2CCOCC2)CCSC1 1748650995 HAKZYRNNZCRLIK-JTSKRJEESA-N 456.572 2.519 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@H]1C 1749066682 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C=CCn1c(SCC(=O)N2CC[C@H](CO)[C@@H](O)C2)nnc1-c1ccc(Cl)cc1Cl 1633931283 RTCMFLRRTDOGDN-WBMJQRKESA-N 457.383 2.732 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1 1634107199 BPRGNHFRKKNPHS-HOJAQTOUSA-N 455.559 2.597 30 10 JFEE C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)CCCN1C(=O)OC(C)(C)C 1637125640 UPHVSRXCVDPYON-SZNDQCEHSA-N 451.955 2.876 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1649538068 MCAWEQPDMNNUPK-PXNSSMCTSA-N 456.534 2.608 30 10 JFEE CCc1nsc(N2CCCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)n1 1654320595 ACEDYIMRZJCVNW-UHFFFAOYSA-N 456.391 2.636 30 10 JFEE CCCc1c(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cnn1-c1cccc(C#N)c1 1670886908 DPFHKIJTCPHEIY-UHFFFAOYSA-N 456.572 2.728 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cc(F)c(F)cc3N3CCOCC3)C2=O)cc1 1671147372 DOAGVGPTMWWACX-LJQANCHMSA-N 455.465 2.596 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1689833051 BKEPIFPETCPOTJ-ITZAQCPESA-N 469.343 2.692 30 10 JFEE 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30 10 JFEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705727112 GKMSLTSDRJJCMI-REWPJTCUSA-N 452.603 2.730 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1 1705863122 IKDLVSWUJJCSFM-HZPDHXFCSA-N 453.609 2.973 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1705895823 UDPGLPMYXACKLC-UHFFFAOYSA-N 489.374 2.992 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1705909163 PHXCDFKUCQXYKQ-IAGOWNOFSA-N 498.575 2.903 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)CCOC)C1 1705916797 NUWNDDZHNRNJDY-HNAYVOBHSA-N 454.369 2.605 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCn2nc(C)nc2C1 1705930462 NVNMDDJVIJYSNR-GOSISDBHSA-N 485.614 2.556 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1705933992 YDROBHCRMMFVBR-GOSISDBHSA-N 473.643 2.935 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)CC1 1705997229 HRWWXTVKJHQZCZ-UHFFFAOYSA-N 452.559 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VPLXVLQPQDEGFV-ZEQKJWHPSA-N 467.614 2.772 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCn1cc(Br)cn1 1722426662 LWKSOVXJCJQVLL-UHFFFAOYSA-N 479.329 2.892 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCO[C@H]2CCOC2)CC1 1722434515 UGQWMGWBQDHZPT-INIZCTEOSA-N 480.432 2.720 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCC[C@@H](C)C2)CC1 1722448683 XFWNGNPRFVLCJS-FYYLOGMGSA-N 470.662 2.998 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C)CC1 1722519135 LAHCGURYBUXEPD-UHFFFAOYSA-N 466.977 2.863 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722529781 CEWOJQJYKNWTEL-MRXNPFEDSA-N 498.447 2.818 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1722559309 RURIMFVLNWMWJI-YOEHRIQHSA-N 451.915 2.701 30 10 JFEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722688172 QZLMQIAPQRNNNM-NHCUHLMSSA-N 477.613 2.541 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722738688 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C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C)C(=O)C1 1749219998 ZVSSNTUNPPKEED-UHFFFAOYSA-N 452.328 2.718 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749230610 ZYIHQDUBTRTUTG-LJQANCHMSA-N 497.662 2.609 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc32)CC1 1749329225 IXDQTKHINVCHAH-MSOLQXFVSA-N 458.632 2.742 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSc2nccs2)CC1 1749343038 VVVNRCLZZVWPFL-QGZVFWFLSA-N 498.700 2.652 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749364863 YFWGPCMIAGXOFN-QGZVFWFLSA-N 484.626 2.808 30 10 JFEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749443137 WCDGJHOOMVITNQ-UHFFFAOYSA-N 487.605 2.527 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749445427 NZGBDGVEGMQSPZ-LPHOPBHVSA-N 479.423 2.785 30 10 JFEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749616066 NSZRUFACXDBJPL-HOCLYGCPSA-N 456.938 2.789 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749658985 QOEIKPDSDNKXQK-SFTDATJTSA-N 453.587 2.929 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1749693317 HYHUYRNDYDAWQD-RTBURBONSA-N 476.622 2.845 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1749693999 NOAZQFNSRJJHRZ-RBUKOAKNSA-N 487.004 2.558 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749731827 LOLNWXVHUMJSKO-JOCHJYFZSA-N 484.626 2.709 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1760144578 URQFOWSPZPXTIH-SIKLNZKXSA-N 475.601 2.592 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760185505 YKRYGZJXHURWSH-UNMCSNQZSA-N 455.628 2.836 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC(F)(F)C1(OC)CCOCC1 1760209226 AIRYFAYBNCNVRF-UHFFFAOYSA-N 462.472 2.900 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1760216572 SRRNFNUBJQYTPP-UHFFFAOYSA-N 468.565 2.618 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H]1C(=C)C 1760241768 JEBLHGCTMRSPHT-SJBKTWHCSA-N 472.586 2.940 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ncc(CC)s2)CC1 1760267946 HKHCWLXNDCRPAD-UHFFFAOYSA-N 464.595 2.987 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC#C)CC1 1760276202 WYUPGVOKEYPSKD-UHFFFAOYSA-N 450.431 2.891 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760319342 MODIGNIRCGYCFS-PZJWPPBQSA-N 459.616 2.834 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)CCC)CC1 1760327192 CZQHKUVJUNDQMX-LBVMUVSTSA-N 475.634 2.868 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760365619 CTZVWCDGUNUMED-KRWDZBQOSA-N 451.980 2.913 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760407583 IGYHPNPLWNOBSI-GOSISDBHSA-N 450.547 2.839 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760519937 VGIBWHFFXPUBNB-MRXNPFEDSA-N 484.402 2.812 30 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CCOC(=O)c1c(NC(=O)[C@H]2CCCN(CCC#N)C2)sc(C(=O)OCCOC)c1C 62039405 SMEHDZUFEXCONO-HNNXBMFYSA-N 451.545 2.601 30 10 JFEE COc1ccc(OC)c([C@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1 97553125 FKKGBLFECWKHSM-VOVDEZLQSA-N 482.533 2.997 30 10 JFEE Cc1nc2c(C)cccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 102494718 CCRAHCDNNQLGBD-MBDQKHHZSA-N 460.534 2.705 30 10 JFEE COc1cccc([C@H]2/C(=C(/O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)c1 103113887 QHEOWBWSTYEFJU-HHUUSFLGSA-N 490.560 2.714 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 521098032 JHKVNJALKSMMNY-UHFFFAOYSA-N 459.524 2.753 30 10 JFEE C[C@@H](C#N)N(C)C(=O)c1cc(I)cc(I)c1O 701292815 GBICETAJBIRFQG-LURJTMIESA-N 456.021 2.585 30 10 JFEE C=CCN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Cc1cccc([N+](=O)[O-])c1 745169063 GHGJCNRWCZAZRI-GZTJUZNOSA-N 484.578 2.728 30 10 JFEE CC#CC[C@H](NC(=O)[C@@H]1CO[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)O 757206522 FXIALXAUCKRBBC-RHGYRFJNSA-N 476.529 2.913 30 10 JFEE 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490.345 2.728 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1300700868 YIRXBKXRVUHGEE-GOSISDBHSA-N 456.978 2.528 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](C(CC)CC)N(C)C)CC1 1300701051 ZXRMRUXVYVUNOC-ZJSXRUAMSA-N 466.630 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C)cc2OC)CC1 1300727131 WQDCJPJPKMTCFO-UHFFFAOYSA-N 458.566 2.595 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1300897238 PNRMFNSMBGKRPD-UWJYYQICSA-N 459.522 2.866 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)CC1 1301125215 MWLZAIDVUIJNBP-SFHVURJKSA-N 456.595 2.972 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1301347154 PMFMFGMJQKBYSM-SFHVURJKSA-N 465.583 2.777 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](CC)C1 1301576460 VDJJRYNIVRFNGA-MRXNPFEDSA-N 456.515 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301586988 LDOSKRAJEMCJSU-PXNSSMCTSA-N 464.035 2.796 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301592976 GYPZVGRUXQAFKP-XLAORIBOSA-N 467.636 2.742 30 10 JFEE CC(C)CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)(C)C)CCN2C1=O 1303175095 HLLVKRGJZOCAFW-OAQYLSRUSA-N 492.628 2.561 30 10 JFEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1305021400 GDMRDTXTTGCCDW-UYAOXDASSA-N 486.642 2.588 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOc3c(cccc3C(=O)OC)C2)cc1 1310131993 XDTURILILJZLHV-UHFFFAOYSA-N 459.524 2.706 30 10 JFEE COC(=O)c1cc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc(C(=O)OC)c1 1310153850 HXHAGUQPJKJQMQ-UHFFFAOYSA-N 450.495 2.918 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)CCCC2)c1 1358901450 LORDYKISGDAKJN-KRWDZBQOSA-N 472.615 2.525 30 10 JFEE C#CCCCn1c(N2CCCN(C(=O)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1358936517 PMGGHYWAJMONMP-QHCPKHFHSA-N 457.600 2.758 30 10 JFEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H](C(F)F)N1CCOCC1 1358945827 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465.664 2.539 30 10 JFEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1705949127 PJWDEZDKWDTBHG-UHFFFAOYSA-N 466.405 2.817 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1706746810 FAJGRMXFUHNXBG-NEPJUHHUSA-N 462.523 2.637 30 10 JFEE CC1(C)CN(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1706955486 BSHVQBBSHBHBNM-IBGZPJMESA-N 466.359 2.588 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(Br)n1 1722298606 GGMKODWXNGQNJV-CYBMUJFWSA-N 459.373 2.933 30 10 JFEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722359147 QJCCDJSLKQBWRB-HKUYNNGSSA-N 490.029 2.534 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1722360954 CUUKUUQIYABIOE-SFHVURJKSA-N 486.619 2.893 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 1722552152 MLYRLJQNVIUUNM-SFHVURJKSA-N 483.013 2.692 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CN3CCOCC3)CCCCC2)CC1 1722574345 KSPAHRVQYYNPKD-HXUWFJFHSA-N 494.706 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C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O)C1CC1 1760471101 MLPJDAQJYYXISI-UHFFFAOYSA-N 466.405 2.898 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1C 1760506009 XQRQVNIZVUTWGF-IZAXUBKRSA-N 459.595 2.778 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760519137 SQQIRXKZHHFLKQ-NRFANRHFSA-N 472.037 2.505 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528727 KVXRSLAGLJLJNI-KCWPFWIISA-N 492.624 2.952 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)(C)C)CC2)cc1 1760530216 LUSZFALTACAJMP-LJQANCHMSA-N 490.674 2.812 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([C@H]3CCOC3)CC2)cc1 1760530916 XCESVYLNFHJGIY-NQIIRXRSSA-N 489.642 2.754 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1760540159 CIWKIRALLSKVNX-FXAWDEMLSA-N 481.519 2.998 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760551688 OOVVKMQCZGWBIR-MRXNPFEDSA-N 491.017 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C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1300891843 NMSYNZPHPNBSFD-ATIYNZHBSA-N 496.656 2.665 30 10 JFEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300962700 AZEAWLMPPGXONL-UHFFFAOYSA-N 456.566 2.707 30 10 JFEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CCOCC1 1301130878 GDFADOZOMIDIBQ-ROUUACIJSA-N 475.615 2.518 30 10 JFEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301208838 GJRWQKWZQLRMGH-UHFFFAOYSA-N 477.569 2.749 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(=O)OC)CC1 1301423945 FGIUSUGPVRGWPY-UHFFFAOYSA-N 498.632 2.569 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCSC2(CCOCC2)C1 1301480754 DSFIVOPVLVGXFM-KRWDZBQOSA-N 475.590 2.962 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)cs1 1301502617 MPPBBPFVBJOBGN-GOSISDBHSA-N 490.630 2.895 30 10 JFEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)cc1 1301519043 PHQFHHIAVUSKMO-UHFFFAOYSA-N 454.575 2.589 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)C1 1301557234 NQQRXXRKQZNUDJ-RBUKOAKNSA-N 465.595 2.794 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 1301578049 QSNYNPFLVMPWSQ-IBGZPJMESA-N 459.616 2.619 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1301611900 IDXUNPQMTFGIAI-MRXNPFEDSA-N 497.609 2.699 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1303628773 FLZPWMCTWVPPLH-KZULUSFZSA-N 458.371 2.540 30 10 JFEE C#CCN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 1304065836 HREWJDKLLOIYBE-FQEVSTJZSA-N 456.524 2.584 30 10 JFEE O=C1CC[C@@H]2[C@H](C1)Oc1cc(O)ccc1[C@@H]2c1ccc(C(=O)ON2C(=O)CCC2=O)cc1C(=O)O 1307270679 GJPRTATVOFPUBL-MONBJTKQSA-N 479.441 2.573 30 10 JFEE CCc1nc(CN2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)cs1 1309094034 GOZJDBJABYAOSC-UHFFFAOYSA-N 455.403 2.846 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(CCC)C1 1358895076 CDHNTYUVIVZPQJ-RPWUZVMVSA-N 463.674 2.833 30 10 JFEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN/C(O)=C1\N=CC=CC1=O 1358942197 MLXZJLMUBATNHG-OOHXQLJPSA-N 450.568 2.727 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1358965113 OCNZMVWIIVBEJR-OAQYLSRUSA-N 498.678 2.847 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN(C)C(=O)OC(C)(C)C 1358973976 MNVWEQHLHUVRCD-UHFFFAOYSA-N 453.543 2.902 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1358989861 RZOGJUCENYUXQG-NHCUHLMSSA-N 463.582 2.679 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C(C)(C)C 1359024573 PYNFHHMDANTVSS-UHFFFAOYSA-N 490.649 2.641 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C(N)=O)CCCC2)CC1 1359031716 NFCQTEHNITULTI-UHFFFAOYSA-N 477.432 2.570 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(N(C)C)cc2)CC1 1359046097 DPYUNOSGBAVAQJ-UHFFFAOYSA-N 471.609 2.538 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359050992 JHRDQJIDEQZTDW-DEOSSOPVSA-N 471.627 2.630 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1ccccc1F 1359063866 GHMASUDRBCDULM-PNLZDCPESA-N 463.579 2.877 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCCC2=O)CC1 1359077932 OPDUPJNOILKCAB-HNNXBMFYSA-N 456.385 2.502 30 10 JFEE C=C(Br)Cn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359088700 RBEGSKVSXHHBMN-UTKZUKDTSA-N 484.439 2.920 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1359095151 KXGJAPRVWVARFB-KPLVRAHFSA-N 490.004 2.930 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1359326752 IXTSYNGRMCDTHY-MRXNPFEDSA-N 481.022 2.906 30 10 JFEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cccc(Br)c1 1359335632 QGYNFYKYMPSOGX-UHFFFAOYSA-N 451.350 2.786 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1359341303 RWQUKQWZXVILMC-UHFFFAOYSA-N 456.645 2.995 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCCCC2 1359466648 FIVVKBCTFNIKAP-INIZCTEOSA-N 481.992 2.824 30 10 JFEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1360088961 DVWRJZYWUOEXKI-UHFFFAOYSA-N 491.518 2.578 30 10 JFEE Cc1nncn1-c1cccc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1446280516 FSWGNYJMYJXRQF-IBGZPJMESA-N 452.540 2.668 30 10 JFEE COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)Cc2ccccc21 1464190884 FUNVLYCYNKHKRV-CQSZACIVSA-N 453.289 2.921 30 10 JFEE COc1cccc(C2(CNC(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1468587077 ACFGRHSSOQTNGI-FQEVSTJZSA-N 455.580 2.996 30 10 JFEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCCCC1 1504886266 FZVNYQPLAFXCHX-UHFFFAOYSA-N 492.628 2.823 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507555528 SKYKTIDECFWSAG-NRFANRHFSA-N 488.390 2.654 30 10 JFEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1507631925 VAKLGDFJTCAODK-VQFGERMISA-N 494.621 2.658 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507633401 DITAGGGVOPCQNL-KRWDZBQOSA-N 468.501 2.804 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1507725764 ALYOFTPMIGDRET-HSZRJFAPSA-N 474.657 2.806 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc3nsnc3c2)CC1 1507738934 IMJIEAIXMAZGJJ-UHFFFAOYSA-N 451.600 2.886 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(CCOC)CC2)CC1 1507742201 CLAIUPMEDAOICP-UHFFFAOYSA-N 453.562 2.791 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1507743660 IFRXPKXOIIWCTF-KRWDZBQOSA-N 482.639 2.632 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507846656 SKTBIVLHKLXXIQ-UHFFFAOYSA-N 483.613 2.545 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507895596 ARQRAPUXWIACRD-MRXNPFEDSA-N 462.620 2.911 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1507903683 TYUORNCDXBEQPT-LAUBAEHRSA-N 493.605 2.620 30 10 JFEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1)C1CC1 1507990019 BYQOALRWJBROPZ-UHFFFAOYSA-N 466.567 2.673 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1508041869 PECDWDSMCYNRMM-HTAPYJJXSA-N 467.636 2.857 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508095067 RYYDLDYMGKOGML-IBGZPJMESA-N 465.627 2.984 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2Cl)C1 1508126603 RWRJVYUBTWQVOL-GSHUGGBRSA-N 481.018 2.523 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1508136434 GNUQDGCAEGJWDX-CJNGLKHVSA-N 462.469 2.841 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1508137059 YAGWMBQQFVFVAZ-UHFFFAOYSA-N 478.018 2.648 30 10 JFEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508162076 KMTBJOVCMBYVNY-FQEVSTJZSA-N 491.683 2.801 30 10 JFEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1508791422 BDYBQDRXVIILCJ-FQEVSTJZSA-N 465.602 2.674 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN(C)Cc1ccc(F)cc1 1516585742 HTBLBMRSBAGKRA-UHFFFAOYSA-N 478.576 2.679 30 10 JFEE 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C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CCC(C)C)CC1 1539452685 YLIFKQKEBVGNDE-RCZVLFRGSA-N 453.587 2.733 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)O)CC1 1539487982 CZKYMSSAHQSXME-UHFFFAOYSA-N 467.614 2.891 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NCC)CC1 1539622806 YDGSDKFOEIFAQV-CRAIPNDOSA-N 492.422 2.868 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1539744264 HBCAIWPUQACXRT-RBBKRZOGSA-N 452.603 2.923 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NCC)c1 1540064357 PYHPCSNCPQIKJB-UHFFFAOYSA-N 467.599 2.658 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccc(F)cc2)CCOCC1 1540198948 UJRYRSNLNWGUQB-FQEVSTJZSA-N 457.550 2.756 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540853472 OLMBTRKRGSGRBR-IBGZPJMESA-N 462.558 2.731 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1540872864 CVFHNECBCTUDPA-NHCUHLMSSA-N 495.628 2.696 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nc(C(C)(C)C)cs2)C1 1540884498 QASWQIKIXJLTJF-CVEARBPZSA-N 482.676 2.666 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@](C)(O)CC)C1 1540889985 XTRCFDMVGSBUIA-XDHUDOTRSA-N 452.559 2.617 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)cc1C 1542416303 GPAJPWIHMOAVKQ-HXUWFJFHSA-N 466.634 2.912 30 10 JFEE N#Cc1ccc(O[C@H]2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccccc3)C2)nc1 1559874014 DTQYBKFZKYDHCF-NRFANRHFSA-N 455.518 2.975 30 10 JFEE C=C(C)CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1583296389 UKPHDTBFWBDWAT-UHFFFAOYSA-N 452.577 2.924 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(OCC(N)=O)CC1 1587738967 MTMLXHQMXFQHAW-UHFFFAOYSA-N 490.402 2.990 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1587884181 TVSSBJIUQMWCIV-QHCPKHFHSA-N 464.614 2.630 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1588069094 HEMUAAABMPQXBC-GUDVDZBRSA-N 476.574 2.631 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1588090241 UVNIUIPIADMWFM-KWALNSLNSA-N 483.613 2.506 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588481004 FBUVKJNOKZFSNC-HXUWFJFHSA-N 462.529 2.614 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](OC)C(C)C)CC1 1588908498 RQJQSLUZWHJKST-QFIPXVFZSA-N 469.586 2.599 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(O)(CC)CC)CC1 1588946266 AINQSILYKSOAKY-UHFFFAOYSA-N 459.541 2.664 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1589427266 FYHYJKYSAIGTSL-MRXNPFEDSA-N 463.355 2.957 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)c2cccs2)CC1 1594036297 RCBMPQRSUGPHKY-UHFFFAOYSA-N 471.608 2.997 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(OC)CCOC1 1595070756 LKBRXFAJKKPVGZ-XMMPIXPASA-N 455.559 2.521 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1595157207 YGSURLMFMXDQAY-UHFFFAOYSA-N 463.585 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1595805894 XTCHDUBZVRCMSE-KRWDZBQOSA-N 452.024 2.654 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)ccc1F 1617762708 LOADKVFRRVVMDH-KRWDZBQOSA-N 457.568 2.959 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCCN(C4CCCC4)CC3)n2CC(=O)NCC(F)F)cc1 1620351619 CTRHLPHFXGICDZ-UHFFFAOYSA-N 487.555 2.565 30 10 JFEE C=CCOc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 1622954441 IFTRPSGZONXFRH-MSOLQXFVSA-N 451.545 2.502 30 10 JFEE Cc1nn(C)c(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)CC2)c1C#N 1645314282 CGBNDRVYAXIILB-OAHLLOKOSA-N 451.600 2.809 30 10 JFEE N#Cc1cccc(-c2nc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)n[nH]2)c1 1651270475 DJXQCFRKBGSYPZ-LJQANCHMSA-N 450.524 2.524 30 10 JFEE CCOC(=O)c1c(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)c(C#N)cn1CCOC 1676108838 IAKZKCHUJCEXCP-SFHVURJKSA-N 453.543 2.921 30 10 JFEE CN(C)C(=O)COc1cccc(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 1677352650 DSJZMPSGVFEGHD-UHFFFAOYSA-N 451.527 2.610 30 10 JFEE C[C@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 1684851531 HBZMCHCWAVTPKV-YADARESESA-N 451.546 2.818 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1689998390 KZNBDJXNGAXKQY-WJFTUGDTSA-N 466.673 2.577 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689998417 LNGYVXLTGJDROD-SWUCNREESA-N 486.638 2.823 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCN(C(C)C)CC1 1690097682 MSANWXRZANUVNH-UHFFFAOYSA-N 476.021 2.928 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2Cc2cnn(C)c2)n1 1690109232 LBNAAZVUULXBQK-UHFFFAOYSA-N 464.961 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(F)c(Cl)c2)CC1 1690145968 BYELDSHISFQQFC-KRWDZBQOSA-N 475.952 2.619 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCSC2)CC1 1690150452 IESLGXRICLXAEI-QGZVFWFLSA-N 458.657 2.743 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1690227171 YNJKJRRGVYCKBO-MRXNPFEDSA-N 473.375 2.962 30 10 JFEE C=C(Br)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690233555 KLAXXZUMGMLJTM-NHCUHLMSSA-N 484.439 2.528 30 10 JFEE C=C(Br)Cn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690234316 ACXAHYXUTZZGAO-NRFANRHFSA-N 495.422 2.846 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1690320018 GXJGYYWKMBPFTG-RUZDIDTESA-N 466.586 2.721 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690451333 DEKXGZMJUHEQKL-UXHICEINSA-N 453.591 2.829 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCOCC1 1690561325 LUEOUAOPBSVBHO-UHFFFAOYSA-N 461.570 2.746 30 10 JFEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1690629352 SMJNZBFZURSBIA-WBMJQRKESA-N 460.387 2.959 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690660347 FPCLFBLMWPNXQO-JRINMYIISA-N 453.587 2.895 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)OC(C)(C)C2)cc1 1690678953 GNKMGCMNTLZNAC-IAGOWNOFSA-N 463.604 2.505 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690743764 FIDSYFIZVGPXFU-MRXNPFEDSA-N 463.633 2.798 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1690749969 VPMKUILADWQRAP-UHFFFAOYSA-N 461.661 2.720 30 10 JFEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)N1CCOCC1 1691336461 FBBJLCLGWXKXRS-UHFFFAOYSA-N 478.519 2.821 30 10 JFEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](COC)C2)cn1 1695616046 DOLJTGCRPNGFLF-QFIPXVFZSA-N 461.570 2.958 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccnc(OC(F)F)c1 1705492656 VADQFIFSBISBKI-INIZCTEOSA-N 468.512 2.955 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@H]2C)c1 1705504302 SIALKVOJLNIHAX-DYRZZGSRSA-N 481.597 2.659 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705521721 JRHIXJAOGBDSRV-XMMPIXPASA-N 460.623 2.706 30 10 JFEE C#CCCCn1c(N2CCc3cc(OC)c(OC)c(OC)c3CC2)nnc1[C@@]1(OCC)CCOC1 1705538939 DZMHNMORWUYKNS-AREMUKBSSA-N 484.597 2.975 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)CC1CC1 1705547852 SRGHEPLDDLNUGJ-UHFFFAOYSA-N 467.389 2.610 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705563411 WWFRAQRCRMZGQG-MSOLQXFVSA-N 473.624 2.838 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)Cc1cccc(F)c1 1705576638 OCSHMKNXFCDLSD-UHFFFAOYSA-N 450.905 2.564 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705585567 USVDTGZBJKTCAM-SFHVURJKSA-N 482.610 2.742 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1705618261 ZRFSBOVMJXLWHO-IBGZPJMESA-N 460.623 2.920 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705624501 DKGYEAUROWKCDN-IRLDBZIGSA-N 471.627 2.544 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2CN(C)C(C)C)CC1 1705640956 LHFWBSDQIFOTSJ-UHFFFAOYSA-N 457.626 2.908 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1705668827 VCISRQGURKYMDU-BMCPXHGSSA-N 457.600 2.813 30 10 JFEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705771319 OWEKGTBQUJXEOQ-UHFFFAOYSA-N 486.598 2.738 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705806203 YUOUEUMZVCAKKY-RBUKOAKNSA-N 497.662 2.956 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC)[C@H](C)C1 1705895448 HIZKNLLTNZMJOG-CQSZACIVSA-N 465.371 2.679 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cccs2)CC1 1705931485 QYVTYRCUKWKRTC-UHFFFAOYSA-N 487.651 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705932954 PHDFHSARFYYRSZ-UUOWRZLLSA-N 487.626 2.958 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCC=C(Br)C1 1705938064 LWQNSPRYTVBCBX-UHFFFAOYSA-N 481.416 2.989 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1709587630 BUYUAEVVFZKIRP-NIYFSFCBSA-N 480.613 2.832 30 10 JFEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1712476962 GJOGKUPBTYYHAF-QFIPXVFZSA-N 465.627 2.950 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722361328 ZATGNXDCIJSVSK-BDTNDASRSA-N 467.595 2.505 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1722363392 SCQOKEUYHDSUKR-QGZVFWFLSA-N 471.608 2.648 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1722364531 LIMGWNIDOUSHEG-CIEVZJJWSA-N 478.659 2.772 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1722369214 VYKAUYOUHPLBJS-ZWKOTPCHSA-N 454.662 2.721 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(SC)CCOCC1 1722369826 ARWRGKWRNJKCEF-UHFFFAOYSA-N 472.014 2.847 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1722434356 PSHMBNHSPCWDKS-UHFFFAOYSA-N 481.398 2.518 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NCC(F)(F)F)CC1 1722434498 TVNJVIVBZGSGJY-UHFFFAOYSA-N 480.560 2.709 30 10 JFEE 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30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)NC(C)C)CC1 1740698805 WMQYQRCRAZSRTL-SFHVURJKSA-N 454.644 2.801 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)N(CC)CC)CC1 1740700839 JZZOKVMYCYCBOD-PCCBWWKXSA-N 473.666 2.534 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740761486 XCKMZLIWUHRCIN-ONTIZHBOSA-N 454.575 2.960 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1740768167 UINDPLBAIYRBBT-KJWPAHLWSA-N 475.634 2.606 30 10 JFEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740870348 FERIATBIASKFJX-UHFFFAOYSA-N 455.588 2.819 30 10 JFEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1740885107 XSIUJVPAXUZJOR-QZTJIDSGSA-N 452.559 2.881 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740990607 XDHZRGPVSUCGPI-LJQANCHMSA-N 463.510 2.730 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccccc2OC)C1 1740994925 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C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1740578110 CBXDLVUGOOIUIH-RBUKOAKNSA-N 457.579 2.736 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](COC(C)C)C1 1740582462 DKTXDJVLWXQEHS-IBGZPJMESA-N 474.631 2.590 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(-n2cncn2)nc1 1740630107 FJMIPNILJHYOTM-UHFFFAOYSA-N 491.328 2.944 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCN(C)C1 1740630174 GIYDDSWULWMSCY-CYFREDJKSA-N 455.990 2.828 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncc(CC)s2)CC1 1740691744 CAKKHKQTNYMCNQ-UHFFFAOYSA-N 452.584 2.785 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2occc2C)CC1 1740707870 TYEDCYMBLJQVMC-UHFFFAOYSA-N 451.502 2.912 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740711644 QCDKQUFPQQOOQK-GOSISDBHSA-N 456.572 2.962 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740747230 BYPSZHLDXOZBTR-MGPUTAFESA-N 496.431 2.953 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1740763616 NQBWIKBMLVNFKH-OFNKIYASSA-N 479.585 2.561 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1740767269 NNMRFQJUWFANJT-GBESFXJTSA-N 479.647 2.900 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740786983 VXAFMKCPDAJKDO-HXUWFJFHSA-N 472.634 2.582 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1740791532 JZDOETFBAVEGQZ-UHFFFAOYSA-N 455.538 2.746 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1740817869 WUXMLWSUUPZWOU-RTBURBONSA-N 453.591 2.970 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740953690 OEPMACROMNYMCL-AWEZNQCLSA-N 461.391 2.616 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2F)CC1 1740966368 SFDVBURNYQTRBM-XMSQKQJNSA-N 470.593 2.965 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1740967469 HNEXSOXIASXDPV-GOSISDBHSA-N 452.584 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740991019 MIQVJGCJYPDAGG-FUHWJXTLSA-N 467.636 2.886 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1741123580 GOILFYWGJRPKJG-HZPDHXFCSA-N 456.551 2.777 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1745398919 CGPDITDOTDYLCY-BCHFMIIMSA-N 480.613 2.832 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1748809294 RJTVNOLCZULIIB-KDOFPFPSSA-N 457.556 2.882 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1748810162 SPTOEILSSOKQIV-NRFANRHFSA-N 495.605 2.813 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748819158 LRCRBVLSWKNSSK-FQEVSTJZSA-N 467.620 2.683 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1748821715 UBRYAVASAVCMJM-LJQANCHMSA-N 480.585 2.592 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCCC[C@H]1C 1748835898 MEKYZBHTBLYFJL-OAQYLSRUSA-N 457.586 2.648 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCCC1=O 1748887157 VXONDSPAMBPNAH-UHFFFAOYSA-N 455.566 2.996 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1cn[nH]c1 1748890637 RWLSHDWJNDVQCV-HXUWFJFHSA-N 451.575 2.821 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1C(F)(F)C12CCC2 1748951242 VPLBUXFIDNTAFR-SFHVURJKSA-N 464.538 2.870 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1749026975 UKVDFVITRRQESO-QHCPKHFHSA-N 458.584 2.715 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1749066144 HKOLXBFVEPXLCK-GECPAALWSA-N 461.676 2.930 30 10 JFEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1749104270 OKXGGTUKQOPKKL-HUUCEWRRSA-N 472.384 2.720 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749134475 ZIZBXIILSWPVOA-OFNKIYASSA-N 472.659 2.558 30 10 JFEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749281395 AZKOHKDHTXJCQK-UHFFFAOYSA-N 489.045 2.902 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1749286912 VDOSNBFJHIZLDQ-FOIQADDNSA-N 453.996 2.606 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1749293539 PZJABMTXWBKZOP-HXUWFJFHSA-N 495.596 2.861 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 1749303428 JYJWSCMBWLWCRV-JTSKRJEESA-N 465.620 2.611 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1749384671 FUKJJAMIEIDSSB-CEWLAPEOSA-N 459.616 2.612 30 10 JFEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1749384788 HPMCGHZPUKLKNL-VWNXMTODSA-N 460.582 2.965 30 10 JFEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1749386522 IFWNUTYXHDRNKI-NZQKXSOJSA-N 476.599 2.523 30 10 JFEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)CCOCC1 1749404313 CWHDJLNBQZCLNB-UHFFFAOYSA-N 496.612 2.779 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1749630049 LUHGWBKOJIIJDJ-IBGZPJMESA-N 489.646 2.860 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1749655357 IZQDUWDUFZUTIJ-GOSISDBHSA-N 455.559 2.517 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(F)(F)Br)C1 1749695042 ZXVMEGVIHHQSBC-ZDUSSCGKSA-N 450.328 2.966 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCCC2(CCCC2)C1 1749721876 WCMBDQZVAWBICO-UHFFFAOYSA-N 451.637 2.958 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1749730585 JSOZPPNHQCRERI-UHFFFAOYSA-N 454.600 2.505 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1nc(C(F)(F)F)cs1 1751202981 DDAYJDFHNNSQSU-LLVKDONJSA-N 477.538 2.542 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760140032 XTSBCHVULIRGFB-UHFFFAOYSA-N 460.586 2.973 30 10 JFEE C#CCCCCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760143663 NKHWICUIZMPFTR-URXFXBBRSA-N 456.591 2.917 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1760254388 WCGZHQLEDKJABH-HYHKQLJDSA-N 459.591 2.614 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2ccn(C)n2)CC1 1760255018 SVCMPIHWOATOOQ-UHFFFAOYSA-N 472.366 2.578 30 10 JFEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760286092 BJFDNNLKGLTJKZ-IRXDYDNUSA-N 457.625 2.660 30 10 JFEE C=C(C)COCCn1c(N2CC(=O)N[C@H]3CCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760361736 QUCXRISIDRZDEJ-ZGXWSNOMSA-N 488.633 2.889 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760374416 OGXDHMKVHYHZSI-HOTGVXAUSA-N 492.042 2.598 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760426047 DOZZJLINCNAWTG-LJQANCHMSA-N 463.586 2.853 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1760519758 OGNUZVYYOALCIG-UHFFFAOYSA-N 475.597 2.784 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCO2 1760556593 JFXLHCTWXHHRCW-UHFFFAOYSA-N 475.596 2.600 30 10 JFEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1765547335 GLAJGILCGRNRDV-APWZRJJASA-N 487.555 2.719 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1766183515 DHAUHEPKFGIAEX-FQEVSTJZSA-N 463.586 2.605 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1767699098 GIXYSMOVMDRHII-PKOBYXMFSA-N 452.559 2.506 30 10 JFEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1768565092 AIDYBMVBLMWGDR-YLJYHZDGSA-N 480.535 2.931 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@](F)(C#N)C1 1769089830 BOBMDILUJXYBPU-KRWDZBQOSA-N 455.357 2.983 30 10 JFEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861503541 DHBPQSVNDHKZTC-RUZDIDTESA-N 497.551 2.874 30 10 JFEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614166 VOSPLWVUMFLWAP-PKOBYXMFSA-N 455.942 2.731 30 10 JFEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862520210 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494.353 2.890 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC(=O)N[C@H](C)CC)c1 1539040241 OUASRVYYSYWOIV-GOSISDBHSA-N 461.570 2.645 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCOc2ncccc2F)c1 1539045598 FTRULAOAOFSESM-UHFFFAOYSA-N 485.523 2.933 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539206460 PJJIAVIUKJZRBP-NQIIRXRSSA-N 495.443 2.885 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncc(CC)s1 1539311944 CSLYCHIWMGDQDE-UHFFFAOYSA-N 467.624 2.768 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2CC2CCS(=O)(=O)CC2)n1 1539424186 NPDHOIQLMVPVTQ-UHFFFAOYSA-N 496.637 2.561 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1539441414 ODEHFLUVTOGMPD-UHFFFAOYSA-N 496.612 2.729 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1539462809 ZRXGINLNWSACBD-AREMUKBSSA-N 479.581 2.738 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1539525666 AELUIGVERIQCED-GOSISDBHSA-N 476.647 2.508 30 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30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(=O)N[C@@H](C)CC)CC1 1690117289 BPYSEAXOCSVQRP-INIZCTEOSA-N 491.409 2.907 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690305700 GDYBYCAUILWBSK-MRXNPFEDSA-N 491.390 2.523 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N(C)C 1690567862 RPTIQATWMVLUHK-UHFFFAOYSA-N 451.506 2.735 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1690586229 HRWVXPWUNPGLQO-IBGZPJMESA-N 457.600 2.786 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690667077 PMJUCBKJABNRAZ-GOSISDBHSA-N 451.600 2.895 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690678297 RHPCLXVUUMYAAM-YTQUADARSA-N 474.606 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690727151 VOCHNRDVOZGGQR-HXUWFJFHSA-N 498.653 2.692 30 10 JFEE CCCCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695237508 AHXGKDRHOYJUHA-QFIPXVFZSA-N 493.660 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C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@](C)(O)CCC)CC1 1722449102 MNENATJHCMLGPY-AREMUKBSSA-N 462.598 2.867 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(=O)C(C)C)CC1 1722454491 LGYZMFGSPSVNTI-UHFFFAOYSA-N 469.611 2.777 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722495915 UNLVVQBDMZEUIV-LGYWMIHWSA-N 460.600 2.537 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1722506995 WRPFAHZZARMHQL-HSZRJFAPSA-N 455.584 2.754 30 10 JFEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)CC1 1722578252 FDKPEKAZMBBXOJ-UHFFFAOYSA-N 463.586 2.850 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722582011 GGCPQZAJHFLGKJ-GOSISDBHSA-N 463.652 2.912 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1722621653 BDSGMTABJFHOSY-OAHLLOKOSA-N 465.396 2.601 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1722645293 HNFRCRXSRWYGJA-YLJYHZDGSA-N 459.616 2.901 30 10 JFEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)(F)F)C1CC1 1722645702 WUMSCTWSJVWRGV-UHFFFAOYSA-N 461.286 2.879 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1722698083 BQMLOAJBTHTRLZ-KXBFYZLASA-N 463.941 2.845 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1726831208 GVYHDOAATKUZJW-KHOMTPLRSA-N 465.602 2.615 30 10 JFEE Cn1cnc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC(CC#N)CC2)n1 1729590571 ATLLJFUFODZRDS-UHFFFAOYSA-N 469.594 2.699 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)C(=O)OC(C)(C)C)c1 1730022425 FGMGMYFQINAJGB-HXUWFJFHSA-N 486.573 2.948 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(OC)nc1OC 1740560687 NUMCHDWXMSLGHP-OAQYLSRUSA-N 489.624 2.561 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCN1CC 1740560829 QCWSMJKOZRNMPK-ZCYQVOJMSA-N 463.674 2.975 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740623568 WTKVTVJMESOGMQ-OAQYLSRUSA-N 496.637 2.957 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740629489 PJUBBDPAAAZSIX-UHFFFAOYSA-N 496.999 2.801 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1740669438 ACLZHTSYTPBOLH-GOSISDBHSA-N 479.647 2.819 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2c(c1)OCO2 1740680438 BNYXKHGMXUOCFO-UHFFFAOYSA-N 472.343 2.909 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F 1740760915 LMHYGMNDXIKRHB-BXWFABGCSA-N 451.522 2.994 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCC1 1740922280 AWJFSQCJOCPEHA-MRXNPFEDSA-N 453.634 2.838 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1740934004 NZHKIPFKIWSTEJ-NRFANRHFSA-N 487.649 2.693 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(CC(F)(F)F)CC1 1740953517 IOJYWWLARXYYBB-UHFFFAOYSA-N 488.518 2.712 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1740964960 JZSYXILCOXCARP-HNNXBMFYSA-N 463.991 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C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301514803 NBGVWSZLGBRRAD-GOSISDBHSA-N 480.535 2.849 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1301568304 QPTXZXDLWNGJMA-XWSJACJDSA-N 473.540 2.668 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1301568935 ZNMWFOCSCDPXJP-UHFFFAOYSA-N 450.590 2.739 30 10 JFEE C#CCN(C(=O)Cc1c(C)[nH]c2ccnn2c1=O)[C@H]1CCOc2ccc(Br)cc21 1353634702 NBENQLYSHVWVOB-KRWDZBQOSA-N 455.312 2.622 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1358920046 QZOQBLMYYQLCCQ-NRFANRHFSA-N 485.032 2.824 30 10 JFEE C#CCN(c1nnc(C2CC2)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1358962053 JLCJNZDUUGPPFK-QGZVFWFLSA-N 450.511 2.626 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC(=O)N(CCOC)C1 1358970582 SCXMWWFFTFPEAI-QHCPKHFHSA-N 484.604 2.920 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc2c(c1)CCO2 1358997135 GCBUWEGEQQSGBF-UHFFFAOYSA-N 459.575 2.910 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccnc2OCC(F)(F)F)CC1 1359034480 RYMVWWMOISIKBD-UHFFFAOYSA-N 471.487 2.788 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cccn(CC)c2=O)CC1 1359039622 OYUQXCICBUATEV-UHFFFAOYSA-N 478.622 2.564 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1359044581 JMKVUJOFGDFIPH-IFMALSPDSA-N 464.614 2.663 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCc2c[nH]nc2C)CC1 1359047433 GVHIJOCSUMLHGB-UHFFFAOYSA-N 479.560 2.626 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OC(C)C)CC1 1359055168 UZLDXRWEHXPEOS-UHFFFAOYSA-N 466.611 2.952 30 10 JFEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359077638 HJUQQRGFAUELFK-JKSUJKDBSA-N 491.390 2.939 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1C(C)(C)C 1359105970 VZRDZPSAFYVJIW-GGPKGHCWSA-N 455.607 2.954 30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1359135287 YMBLSTRLNWYBLW-UHFFFAOYSA-N 464.545 2.958 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359189899 XVBDFUNVMXQKAP-JKSUJKDBSA-N 479.569 2.992 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359210188 MGPSTDBMWZQPPB-UHFFFAOYSA-N 457.600 2.810 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359217041 MCXMEKKWELSEND-PMACEKPBSA-N 476.622 2.905 30 10 JFEE CC(C)(C)[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1nc(-c2nc[nH]n2)no1 1458180076 AZQPOUQQMJMDOU-KRWDZBQOSA-N 452.494 2.985 30 10 JFEE CN(C)S(=O)(=O)c1cc(NC(=O)COc2cccc(Br)c2C#N)ccc1F 1459983610 CLSVHWNXWRJUNJ-UHFFFAOYSA-N 456.293 2.728 30 10 JFEE C#CCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1465629955 KADZHPUCAOYKGZ-FQEVSTJZSA-N 456.543 2.774 30 10 JFEE C=CCN(C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)[C@@H](Cc1ccccc1)C(=O)OCC 1466892968 IABHQSPZZQACPF-NRFANRHFSA-N 456.564 2.625 30 10 JFEE C=CCc1cc(CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)cc(OC)c1OC 1477658649 ZKHRPKRZFRRDLV-UHFFFAOYSA-N 453.605 2.872 30 10 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456.612 2.963 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CC=CCC1 1507650324 HZOZDGNYAUWAHY-NRFANRHFSA-N 452.603 2.727 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NC(C)C 1507665019 SIWXSRCCESHPOP-UHFFFAOYSA-N 458.360 2.704 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H]1C(=C)C 1507699957 LQQSDIAUBVCAER-FBBABVLZSA-N 475.590 2.648 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](c2ccsc2)N(C)C)CC1 1507732524 OMMHWQHXYYKRCC-NRFANRHFSA-N 480.638 2.985 30 10 JFEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507748833 QUECJUNYSLAUIZ-GOSISDBHSA-N 492.443 2.724 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1507835998 SSTXBOXOZDJITP-UHFFFAOYSA-N 460.623 2.628 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1508085176 GBIRFOIMYJVZPF-LJQANCHMSA-N 493.612 2.620 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)c1nccs1 1508086170 JWCUYKIWLVJBGO-INIZCTEOSA-N 492.609 2.674 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1508106194 SJCOPOWXZUNNBR-UHFFFAOYSA-N 453.568 2.967 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508131862 OBPNQELGTUEEJA-VQTJNVASSA-N 460.600 2.690 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508141050 RYSNTFDTVLXTFY-UHFFFAOYSA-N 498.653 2.732 30 10 JFEE CCOCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1516421136 FCKPGNAPBADMJZ-UHFFFAOYSA-N 483.592 2.914 30 10 JFEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)C[C@@H](C)O1 1520824934 AXYUBSBHXMWEAH-OYRHEFFESA-N 479.629 2.765 30 10 JFEE C#CC[C@]1(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CCCN1C(=O)OC(C)(C)C 1528185300 CNMOHTNZCXWKMF-UZUQRXQVSA-N 451.564 2.532 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1c(CC)nn(C)c1OC 1538983298 PURUCTHWZLVRBV-HNNXBMFYSA-N 468.558 2.782 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1Cl 1539015669 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RUFNXFMHAAJCRM-HSZRJFAPSA-N 495.697 2.730 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539527040 ZSLXVVPYZGAGDI-DEOSSOPVSA-N 477.594 2.581 30 10 JFEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1539595875 GXBKWCALHIJRKZ-RDJZCZTQSA-N 488.452 2.521 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1539603500 RJFOPUPHGORIQX-UHFFFAOYSA-N 465.359 2.766 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1539704737 IFYFPAHIJGPCGR-QGZVFWFLSA-N 473.521 2.842 30 10 JFEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)CC1 1539906786 SLNHRQGXLIMSDF-UHFFFAOYSA-N 489.690 2.917 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1539985141 GTDWDZVDRAQZGZ-UHFFFAOYSA-N 470.599 2.933 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)N1CCOCC1 1540058347 VAKXBYFYYWQZIK-UHFFFAOYSA-N 452.328 2.718 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)ccc1F 1540220095 GDKOCVNYNUDZQD-GCJKJVERSA-N 467.563 2.952 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1540900825 JIKHYQHWEUWVQU-SFHVURJKSA-N 492.646 2.626 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCC 1540905739 VTANJNQZEBGKRM-MSOLQXFVSA-N 485.651 2.812 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1547384472 BUYOPSORLPIACQ-QGZVFWFLSA-N 461.613 2.638 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548393519 OSHSXFWAKIFZNY-RBUKOAKNSA-N 488.514 2.661 30 10 JFEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CCn2ccnc2)C[C@@H]3CO)cc1C(F)(F)F 1548406354 PRTJKNNIQSXQDW-GOSISDBHSA-N 461.488 2.901 30 10 JFEE C=CCC[C@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C(=O)OCC 1556643373 KPYNZEWWYDDNLX-HNNXBMFYSA-N 454.264 2.760 30 10 JFEE C#CCN(CC#CC)C(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1566073860 WBNPWKRDSCWJHW-UHFFFAOYSA-N 451.479 2.979 30 10 JFEE C=CCOc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1568809625 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455.584 2.958 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1540137982 XPHZINVLFCAKPF-XXBNENTESA-N 493.674 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1540900394 UERBSXWLPNVCIX-JOCHJYFZSA-N 464.588 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)S[C@H](C)C1 1540903563 GDWBFONNWYFVFI-JTDSTZFVSA-N 464.613 2.722 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(N(C)C)CCSC1 1541470053 BPMIXWCCNFFXSQ-QHCPKHFHSA-N 454.648 2.507 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1545299570 GTKATSFIPUCEPP-XMSQKQJNSA-N 477.617 2.565 30 10 JFEE N#Cc1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)[C@@H](C(=O)NC3CC3)C2)cc1C(F)(F)F 1548369513 OHGXJJWPQVCAEO-OAQYLSRUSA-N 492.523 2.876 30 10 JFEE CO[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1554604491 CTSNPFQLSBQEDE-WOJBJXKFSA-N 460.586 2.865 30 10 JFEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CNC(=O)c2cnn(C)c2)CC1 1559556481 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GISVCZVGGYBEDY-UHFFFAOYSA-N 469.590 2.515 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1589134134 GIOZWEDHVOUZNU-REWPJTCUSA-N 486.638 2.991 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1589502832 ACLLNIKEMVJGBQ-RBBKRZOGSA-N 484.626 2.917 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1589568728 LXZWUOJXSIYYFX-WTHKRRKVSA-N 488.677 2.613 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1594013581 IHJWOYFBWCGEOJ-IAGOWNOFSA-N 470.640 2.594 30 10 JFEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594527773 BCMVJNZDHDDEOA-UHFFFAOYSA-N 498.628 2.641 30 10 JFEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1594720953 YIBDTMUQRAIORI-FQEVSTJZSA-N 452.559 2.900 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1595211654 GMRFHNAGJRSHRB-FQEVSTJZSA-N 488.633 2.820 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)o1 1595811877 FKIMAHRANXLXDY-UHFFFAOYSA-N 480.388 2.857 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1595812333 QYLVJPIIPUEPNF-KRWDZBQOSA-N 481.644 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(C(C)(C)C)CC1 1595838741 ZKUHEGVWFDICCT-HKUYNNGSSA-N 452.621 2.786 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)c1ccccc1 1613313595 BCJGZMGDQXTBLX-LJQANCHMSA-N 479.610 2.859 30 10 JFEE C#CC[C@H]1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)C1 1639868993 FOSCOPGQLRWROF-FQEVSTJZSA-N 453.564 2.999 30 10 JFEE C#CCOc1ccccc1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1660837065 CAUQUUTYTQTAAO-POAQFYNOSA-N 470.526 2.745 30 10 JFEE C#C[C@@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)c1ccc(Br)cc1 1662180970 HUFJTDPNKXEVGK-NSYGIPOTSA-N 456.387 2.962 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1689847841 JSKYUDPYDIIGAQ-QGZVFWFLSA-N 484.626 2.907 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC[C@H](C(F)F)N2CCOCC2)c1 1689870744 YZHIPSBPAJZLNR-OAQYLSRUSA-N 486.567 2.958 30 10 JFEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1689933610 SRVIREBKXCYSCZ-DEOSSOPVSA-N 468.621 2.653 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCCC2=O)CC1 1689936973 KNTCCKMCBHPHND-UHFFFAOYSA-N 454.600 2.664 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689984981 ZOGFZOUDSZKSHD-ZMMAXQRCSA-N 478.018 2.824 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1690117435 HSLZJVCDOKLWDE-QFIPXVFZSA-N 475.012 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C/C=C\c2ccccc2)CC1 1690137157 OTFGGVOHEWCPKX-FLIBITNWSA-N 469.549 2.605 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCn2ccnc2C)CC1 1690150613 OBWJYOWCQOABCB-UHFFFAOYSA-N 480.642 2.585 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1690193450 LCKOHIWWYPUEIO-LPXYKDPNSA-N 454.506 2.538 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1690212286 GOMLNWXZKCGLCG-HSZRJFAPSA-N 489.667 2.536 30 10 JFEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690223031 CCIDSIBVGQLISP-HOTGVXAUSA-N 472.395 2.748 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690310124 UVIFCAOAVDPGQZ-MAUKXSAKSA-N 492.502 2.941 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1690484858 FWASFBKSEOXMJE-HXUWFJFHSA-N 463.648 2.765 30 10 JFEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690495770 HCCBDRWTIDJWQQ-FQEVSTJZSA-N 487.649 2.717 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690520146 LCWJAEJGXLNDCB-CQSZACIVSA-N 484.420 2.620 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1690659088 JPGLNESRYUOVRZ-HXOBKFHXSA-N 456.978 2.933 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(OC)ccc1Br 1690670837 JZSWIJGPIYFUOP-HNNXBMFYSA-N 478.391 2.882 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690681159 IAFNFWVDXSTFTH-OYRHEFFESA-N 482.629 2.673 30 10 JFEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@H](CC)OC)CCOC1 1696079885 FEMCNSIMTHRUFA-RDPSFJRHSA-N 454.575 2.553 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1705507568 GYOIEBZJVYDJCY-SFHVURJKSA-N 478.519 2.755 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCOC(C)(C)C1 1705547869 UCOXDTMGQFAKER-UHFFFAOYSA-N 462.392 2.896 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1705564117 LMONKSGOSZGQAN-KRWDZBQOSA-N 483.594 2.914 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705564452 BEPZISCNKNEHLH-GOSISDBHSA-N 471.533 2.796 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565717 JXAIZFREGTZREH-CEMLEFRQSA-N 456.612 2.993 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1705568063 GMEQREYSANRCEQ-GPJFCIFZSA-N 490.601 2.828 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705568883 WTUJCIJTMYJDPH-VQTJNVASSA-N 470.595 2.849 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1Cc1cccc(N2CCOCC2)n1 1705601628 PXPZZHANQQHEOS-UHFFFAOYSA-N 470.577 2.908 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1705632626 WUGTXHNTDHHSRP-UHFFFAOYSA-N 465.508 2.841 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1705661594 FZVKIXCEXYCKRO-SFTDATJTSA-N 474.652 2.732 30 10 JFEE C#CCSCCn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1705665493 VLYUUQCLHGQALH-VWLOTQADSA-N 499.637 2.755 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1 1705669635 ROUGDZYYYUHZDI-GOSISDBHSA-N 466.405 2.615 30 10 JFEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705687621 HCSCYXQZVSFELH-AWEZNQCLSA-N 455.426 2.694 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705707053 DEDZWKPCDPIUFU-XTJBDQBJSA-N 475.634 2.749 30 10 JFEE C=C(C)Cn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1705728254 DCKMKGCAUNMHQP-RUZDIDTESA-N 453.587 2.706 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705730864 OQFGFNZTXCXIRR-QGZVFWFLSA-N 477.407 2.840 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705738927 PENZSJLRLNGSNV-UHFFFAOYSA-N 468.023 2.587 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705744572 IERYGFATAHKCIM-KRWDZBQOSA-N 452.003 2.531 30 10 JFEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705831437 RLVQHFBBAVNUOB-SFHVURJKSA-N 460.648 2.916 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1705864094 QXXAEBIWVGPZDU-OAHLLOKOSA-N 463.633 2.541 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1705895890 WJUROEFHVDUZNL-DEOSSOPVSA-N 479.610 2.642 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1706185963 HDXOJJRCLBROKY-UHFFFAOYSA-N 481.626 2.680 30 10 JFEE C[C@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1706818939 BDTSIEYHARQKQN-RTBURBONSA-N 458.632 2.808 30 10 JFEE Cc1ccccc1C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1707636415 ABKCTOMFXBYSSS-UYAOXDASSA-N 471.627 2.833 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1722285687 YMXXHFLLARIJML-YJBOKZPZSA-N 453.497 2.964 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1722318168 ZQQBTZKAOPIFFM-RTBURBONSA-N 478.644 2.521 30 10 JFEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722321207 ZJJHFWAICCXMRW-NRFANRHFSA-N 486.580 2.930 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1722322173 OPADTNAXDQRIQD-AVRDEDQJSA-N 455.534 2.798 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1ccc(C)cc1)N(C)C 1722350073 KUSLWOZNYBIDNA-OAQYLSRUSA-N 465.627 2.919 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1722360364 TZMQCMBOXGGYQI-MRXNPFEDSA-N 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464.614 2.664 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1705752026 GCMQCGOQRBRUND-UHFFFAOYSA-N 471.993 2.757 30 10 JFEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705812939 PYQDQWRGGUUCOQ-LJQANCHMSA-N 485.585 2.765 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(c2cnn(C)c2)CC1 1705890782 IJPXSYXZZNBJNV-LJQANCHMSA-N 457.579 2.890 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](COC)C1 1705896692 VEZQPEULQHDHPF-CQSZACIVSA-N 484.782 2.515 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCN(CC)C2)C1 1705925394 OSQDUHDXIQCRBU-NJDAHSKKSA-N 490.649 2.710 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705949553 BWNMIPFHGLEUNX-HSZRJFAPSA-N 478.663 2.577 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1706159034 BYUWJCCAZGIHSF-MSOLQXFVSA-N 457.579 2.759 30 10 JFEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1706710290 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C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1760191876 OKKRLPMMKYADJC-DNQXCXABSA-N 483.682 2.955 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760192721 MNYGNAFWVASQEG-VQTJNVASSA-N 470.595 2.849 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)OCCc2sccc21 1760207298 DEEWYLGCXQJVOH-HSZRJFAPSA-N 465.604 2.892 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C(N)=O)CCOCC1 1760213005 LZXPDTYNOZVACL-GOSISDBHSA-N 465.623 2.876 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1760244454 WFMUOFAQKIRZOR-NLFFAJNJSA-N 491.633 2.663 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccccc2CO)CC1 1760273102 IEIWJCSTOAUQGZ-UHFFFAOYSA-N 453.612 2.757 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1760287267 MBKWNYCGJJBIMT-IBGZPJMESA-N 498.657 2.833 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CN2CCOCC2)CC1 1760314430 WOCXFLVEXOHMMK-GGAORHGYSA-N 488.677 2.726 30 10 JFEE 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488.614 2.520 30 10 JFEE C#CCC1CN(C(=O)c2cc(I)cc(I)c2O)C1 2082426948 DBTROTCOSUDWSO-UHFFFAOYSA-N 467.044 2.697 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2183288512 CODRDJFSHZSZQO-QHCPKHFHSA-N 464.343 2.825 30 10 JFEE N#Cc1cc(I)c(OC[C@H](O)C2(Br)CC2)c([N+](=O)[O-])c1 2206521087 UGJPXPLEJSSQKV-JTQLQIEISA-N 453.030 2.738 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255750384 ITYXCQCAJLXBRS-AWEZNQCLSA-N 472.438 2.677 30 10 JFEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256623928 IPEFNBRTEXTKPB-CYBMUJFWSA-N 455.748 2.512 30 10 JFEE C[C@H](COCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2256653273 DAODEECMVZRGCR-CQSZACIVSA-N 454.398 2.593 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)s1 2267106416 ZEBVMOSASGZBKH-WCQYABFASA-N 460.327 2.885 30 10 JFEE CCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267378942 UGMLUTYJJCBOGE-KRWDZBQOSA-N 468.425 2.958 30 10 JFEE C=C(CS(=O)(=O)NCCOC1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267723621 WSKWUPINYWYKPK-UHFFFAOYSA-N 474.429 2.510 30 10 JFEE COC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CN(C(=O)OC(C)(C)C)C1 2268613405 SMDPAAWPMMFXDG-UHFFFAOYSA-N 450.316 2.699 30 10 JFEE CC(C)(C)OC(=O)N1CC(O)(C2CCN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)CC2)C1 2281487461 IKTPIFYYTVXZRS-UHFFFAOYSA-N 459.396 2.579 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281930537 MTDHFDWLZPTWRG-SJORKVTESA-N 462.400 2.959 30 10 JFEE Cc1cnc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)c1 2281951510 KNGIMIICAAFNJN-QGZVFWFLSA-N 457.380 2.819 30 10 JFEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)cc1 2281978600 GFGAVCXXDWMLSM-UHFFFAOYSA-N 456.352 2.664 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282041651 ZOEZKAZINFTNJL-IYBDPMFKSA-N 461.343 2.744 30 10 JFEE CC[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1Cc1ccccc1 2282351830 GUFILHAKJLOJHW-OAQYLSRUSA-N 471.432 2.666 30 10 JFEE CC(C)[C@H](CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2282492087 NNHHNCDMGSXYMB-IBGZPJMESA-N 482.452 2.955 30 10 JFEE CC(C)(C)OC(=O)NC1CC(CNS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282507432 HOAJHFBOFWGCDL-UHFFFAOYSA-N 484.399 2.707 30 10 JFEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282536391 BUFSXVABXQPTNJ-MRXNPFEDSA-N 464.416 2.827 30 10 JFEE COc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 2282541429 XVGUUHBEWIEPDQ-YJBOKZPZSA-N 460.380 2.980 30 10 JFEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]2OCC[C@@H]21 2282665479 ASNLQXAJIJLNCZ-JYJNAYRXSA-N 478.420 2.944 30 10 JFEE C[C@H]1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282669744 AXGDYLDHQRYYKA-JKSUJKDBSA-N 460.384 2.541 30 10 JFEE CC(C)[C@H]1[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282696742 HPIPETWUHANMMI-WMZOPIPTSA-N 460.384 2.540 30 10 JFEE CCC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C)CN(C(=O)OC(C)(C)C)C1 2282838873 VTHWVHLTFTWRRK-UHFFFAOYSA-N 480.436 2.972 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C)CCN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282844102 YFFUBHOZXXIDLO-JOCHJYFZSA-N 484.399 2.803 30 10 JFEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C2 2282847162 VCZXWXFPCJSVEG-UHFFFAOYSA-N 482.383 2.509 30 10 JFEE COC[C@@](C)(CC(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283916815 WGHFNPSMLNWBLK-JLCFBVMHSA-N 483.440 2.939 30 10 JFEE CC(C)(C)OC(=O)N[C@@]1(CCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2283930540 SSYRSAZMGZCKDX-QFIPXVFZSA-N 481.424 2.523 30 10 JFEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2283979229 KZALJLJMZWNYGA-YJBOKZPZSA-N 458.368 2.908 30 10 JFEE 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C[C@@H]1CO[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CN1C(=O)OC(C)(C)C 2345689993 IJESFJSHIYNGCP-CABCVRRESA-N 452.332 2.923 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2359283028 BFKUZWLJQOYMBI-BBWFWOEESA-N 498.476 2.865 30 10 JFEE CC1(C)OB(c2ccc(NCCn3cnc(I)c3)c(C#N)c2)OC1(C)C 2364740985 HKWIAVHSALVHLM-UHFFFAOYSA-N 464.116 2.771 30 10 JFEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NCc2cccc(Cl)c2)n1N 20911486 NOTZPNKZLXDJIP-YSURURNPSA-N 476.010 2.894 30 10 JFEE CCOC(=O)c1ccccc1/N=C(\O)CN1CCCN(Cc2cccc(OC)c2)S1(=O)=O 21629273 VVCYSFJKQVKVKT-UHFFFAOYSA-N 461.540 2.913 30 10 JFEE C=CCN1C(=O)N[C@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)C(C)C)CC1 36016792 JXXRZFWBGMBNNR-HXUWFJFHSA-N 460.600 2.618 30 10 JFEE COc1cccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)c1O 59815787 XPBZRKUBJYKXIU-UFFVCSGVSA-N 455.500 2.654 30 10 JFEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C 102494937 RNVPLSOQLGPWDT-MBDQKHHZSA-N 499.564 2.809 30 10 JFEE CCOC(=O)c1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccc(C(=O)OC)cc3)NC)C2=O)cc1 105534311 XPKVYPHEXCILER-GOSISDBHSA-N 469.519 2.922 30 10 JFEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1cccc(OCCO)c1 170324971 YQZUWSWSSGYGOE-JOCHJYFZSA-N 452.507 2.875 30 10 JFEE CC(=O)c1c(C)oc(NC(=O)c2cnn(C)c2N(C)S(=O)(=O)c2ccc(C)cc2)c1C#N 170576965 NFGYDXANJVIQLE-UHFFFAOYSA-N 455.496 2.782 30 10 JFEE COc1cc(-n2cnnn2)ccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 586267482 DCCJKHUAPQVKTC-LBPRGKRZSA-N 452.496 2.524 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Oc3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 603799776 VSGJTAPCDKMPFR-QFIPXVFZSA-N 487.581 2.686 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cn4cc(Cl)ccc4n3)nnc12 637310508 NRIHNWPKYNSGLP-UHFFFAOYSA-N 479.953 2.940 30 10 JFEE C=CCn1c(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)csc1=NCc1ccc(S(N)(=O)=O)cc1 727970645 BOJFOBWEINPSRU-CQSZACIVSA-N 470.576 2.870 30 10 JFEE C=CC1(CC(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1155643714 TVSDDJCAOPLDJZ-KRWDZBQOSA-N 451.589 2.673 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)n1 1156617561 BETWFGCYFMMONP-JOCHJYFZSA-N 452.555 2.853 30 10 JFEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1169300842 QIVMMWQXQBFJIZ-AWEZNQCLSA-N 456.351 2.635 30 10 JFEE CCOC(=O)c1cnc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c(Cl)c1 1183324308 DXIWAVGIGIZPIG-UHFFFAOYSA-N 453.680 2.708 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1286342162 NHPXQXROCNLGCM-VQIMIIECSA-N 461.588 2.660 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286386800 HTOZQKDPMQWQSC-CTNGQTDRSA-N 465.579 2.743 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 1286433601 XVNQUEMRQSZEMR-RJGXRXQPSA-N 497.688 2.538 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CC1(S(C)(=O)=O)CC1 1286434013 RQHSCHSGZGNZIW-UHFFFAOYSA-N 491.411 2.660 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ncccc1F 1286448380 TYOSTAVHFMWZEB-SFHVURJKSA-N 474.537 2.659 30 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470.599 2.655 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286778086 XYHWDFOLXQTMJV-LJQANCHMSA-N 470.643 2.898 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCNS(=O)(=O)CC)C1 1286804396 MXQHIHOUKYHVLL-SFHVURJKSA-N 470.599 2.522 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286819519 NBQGPGZMHGMTAH-LJQANCHMSA-N 498.609 2.506 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1286820217 HJUYQYXVUFFODY-FQEVSTJZSA-N 487.626 2.628 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1286822551 FPYSQMKEEUUNDO-UHFFFAOYSA-N 491.658 2.777 30 10 JFEE C/C(=C/c1ccccc1)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1286837748 GJHKRDLJRSYCDT-ZAVKOYKVSA-N 496.593 2.664 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC[C@H](O)C1 1288145044 HUOCNVXNYAGLDG-GOTSBHOMSA-N 479.629 2.551 30 10 JFEE C=CCc1ccc(OCC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)c(OC)c1 1288653332 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30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@H]21 1594498354 TYNMEOWESAXURK-QRVBRYPASA-N 451.637 2.982 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)[C@H](CC)C1 1595405281 HDTSHBSDDAWITC-WOJBJXKFSA-N 478.638 2.710 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1595507027 UCWWGOYEWXAEFS-UHFFFAOYSA-N 454.966 2.896 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595577604 YKUQGRVMISWXAV-CVEARBPZSA-N 482.324 2.580 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2nncn2C)C1 1595688810 OYBJQSZCEAXVOV-HNNXBMFYSA-N 474.363 2.674 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)C1 1595743777 GBQTVICZONKUAS-MRXNPFEDSA-N 473.883 2.970 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1595837953 HEBYPUQYYDAVOO-UHFFFAOYSA-N 455.510 2.707 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1595905722 PFECOSLGJZYKBT-DEOSSOPVSA-N 471.627 2.812 30 10 JFEE 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2.562 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1705663232 ADFRGSOMPYVUNN-UHFFFAOYSA-N 455.628 2.743 30 10 JFEE C#CCSCCn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705665427 TWLLQINJVAFBBO-VWLOTQADSA-N 489.686 2.962 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705723340 LWFOWMXUNYNNMN-AWEZNQCLSA-N 472.384 2.941 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(OC)nc3ccccc23)CC1 1705763444 VOZVHVIXBVVNMW-MRXNPFEDSA-N 456.572 2.650 30 10 JFEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCSC2(CCOCC2)C1 1705832275 SEVVFCXRPFBUDS-UHFFFAOYSA-N 477.656 2.965 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(CC)s1 1705856710 CAWHODSAACPBSL-QGZVFWFLSA-N 453.572 2.893 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1705898729 WBGJWFORQABIOM-UHFFFAOYSA-N 473.915 2.901 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705933709 PUPPVLPGTDPBQL-UHFFFAOYSA-N 493.033 2.537 30 10 JFEE 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467.570 2.833 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1722368183 ZISTXFMOLOIBSW-KRWDZBQOSA-N 498.447 2.868 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722372346 UWIHVJNIPBDDLB-SJBKTWHCSA-N 489.711 2.925 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CC(F)(F)F)CC1 1722382110 KEEFJNQPKXSGAG-UHFFFAOYSA-N 469.515 2.864 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1722430913 KTUFYNRWXMNTOI-UHFFFAOYSA-N 475.597 2.926 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)[C@H](C)CC)CC1 1722444513 ZNEFVRHXWKMETC-GOSISDBHSA-N 467.574 2.549 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1722447503 IXCLHABIIHXEJS-DHIUTWEWSA-N 464.614 2.973 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1722450725 OWYROGICSJDWLY-UUWRZZSWSA-N 489.617 2.509 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1722475651 WPPJSRJYMVWOQY-MPBGBICISA-N 456.465 2.777 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722534557 RKXNPFKGDYRDFS-HXUWFJFHSA-N 462.616 2.874 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCS(=O)(=O)N(C)C)CC1 1722565384 ZUEGVGZAKGWRRJ-GOSISDBHSA-N 463.604 2.865 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722592558 WGQUBEDNJDFKCE-HXUWFJFHSA-N 458.651 2.955 30 10 JFEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722606505 AJXGCSDFPUWSNI-UHFFFAOYSA-N 477.569 2.749 30 10 JFEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722624566 CTAKDTKTAOLZDP-SFHVURJKSA-N 470.599 2.556 30 10 JFEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722626842 IQCHSLVSIQUSFN-YZZKKUAISA-N 475.615 2.635 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCS1(=O)=O 1722679288 VSGIIOOEKBHGJX-IBGZPJMESA-N 470.599 2.941 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2C(C)C)cc1 1722705498 ZNQUAWPJZBTBNF-FGZHOGPDSA-N 489.642 2.849 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C1 1722721238 RRGBKCVHGUVUHQ-HXUWFJFHSA-N 469.586 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCCCC1 1722723973 JUECMSBTHVJFKD-UHFFFAOYSA-N 480.660 2.528 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1722861091 BOHSVJCOMLVVJG-ROUUACIJSA-N 459.595 2.757 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](c2ccccc2)N2CCOCC2)CCOC1 1728754094 FWNXCOXXJPSJCJ-UWDQQESISA-N 468.602 2.742 30 10 JFEE CNS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@](C)(C#N)C1 1729738998 DIFJJNVWWPXZJK-HSZRJFAPSA-N 484.582 2.796 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)C(=O)OC(C)(C)C 1730325016 CKIMJCSIRDOTCB-SFHVURJKSA-N 486.573 2.851 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1740547968 CIMJRHCHOYLWRV-QGZVFWFLSA-N 456.554 2.642 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC1CCOCC1 1740552428 YJGQJNBOHRTSBI-ICSRJNTNSA-N 477.606 2.630 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(F)ccc1N1CCOCC1 1740556685 FNTALQOVCKWCHS-KRWDZBQOSA-N 482.585 2.752 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1740620553 QIJNAHAFZYOZGM-MRXNPFEDSA-N 472.521 2.656 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1740628435 QJAFBMVGQMYSML-ZUPWUQBJSA-N 464.632 2.740 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1740663194 BVQRAPIIJSLRBU-SANMLTNESA-N 467.614 2.972 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOC 1740677904 UWQNDYOAAIPYPG-UHFFFAOYSA-N 470.574 2.972 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(C)(C)O)cc1 1740683325 BZJPCJHDMMMTHW-UHFFFAOYSA-N 496.637 2.600 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1740687684 FHERBDUJRNZSFQ-IBGZPJMESA-N 457.579 2.641 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(N(C)C)CCSC2)CC1 1740690368 IWZBUADADRJHTL-NTKDMRAZSA-N 472.634 2.750 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)CN2CCCC2)CC1 1740699378 DHJGMEQBVKTSEA-HSZRJFAPSA-N 450.631 2.961 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1740704661 QTMQKLOQEUMTMV-RXFWQSSRSA-N 463.630 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740764714 IYPUGBXTKBGXOF-WIYBCGNWSA-N 475.634 2.676 30 10 JFEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740784314 RGKPXNSTRCTHLF-IFMALSPDSA-N 451.619 2.657 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1740786368 BBCMOMLWUPNIGS-UHFFFAOYSA-N 480.613 2.848 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740789634 PCUIOOFSRZVNAM-RDTXWAMCSA-N 452.914 2.691 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1740793716 KXBHLJOFYIRSKI-UHFFFAOYSA-N 454.604 2.733 30 10 JFEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740813405 FXNUUFNAUUQPCF-UHFFFAOYSA-N 478.022 2.750 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740847469 JJWOOEQLVSYTSA-QHCPKHFHSA-N 473.647 2.803 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740954457 NHURHWASKJVZAW-DZGCQCFKSA-N 498.809 2.903 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1740967697 NWZYQMQODOCCIO-DFBJGRDBSA-N 469.586 2.599 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1740968545 KBVVKIYOZOOBHO-HARLFGEKSA-N 469.586 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 1740989196 DTYALCHNEJKRQO-UHFFFAOYSA-N 458.632 2.642 30 10 JFEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br 1740995207 DHMWOTUWJNSAGH-UHFFFAOYSA-N 469.340 2.925 30 10 JFEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CCC)C(=O)C1 1741003716 BNCJDDHFRCCMEA-UHFFFAOYSA-N 453.616 2.885 30 10 JFEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1741070051 BUWMABNBLQBKID-DNFKCEGXSA-N 477.613 2.959 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)c1ccc(F)cc1 1741675549 CULUZWAGNQROJN-ZWKOTPCHSA-N 491.575 2.736 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)[C@@H](C)CC 1748680718 WQVRKVOXLNZQHC-AOJNWGRGSA-N 452.647 2.898 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCC2)c1 1748690141 MUJLOZZZRFISJH-UHFFFAOYSA-N 466.611 2.856 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1748736376 ZQUAFFVLOQTZRA-UHFFFAOYSA-N 467.574 2.647 30 10 JFEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1748747317 GFPAAMWNGAQAAN-ROUUACIJSA-N 458.360 2.983 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748809601 OISBGJZXWHLEIY-YTFSRNRJSA-N 481.622 2.895 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1748823817 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C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595496616 BGLDGTICSIUXJE-ZWKOTPCHSA-N 494.365 2.533 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1595555594 DNRAPGHPHJVOBC-LJQANCHMSA-N 472.565 2.804 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)Cc2ccccc2)C1 1595706657 NVANYRUHBBKVIF-HXUWFJFHSA-N 455.584 2.680 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1595831625 UWISAXFSBJDOFI-SFHVURJKSA-N 462.572 2.528 30 10 JFEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1596925119 CRSIZJSZMFFWEJ-SFTDATJTSA-N 498.653 2.915 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N=c2ccn(C)c(O)n2)c1 1611486894 PZHBNMNEFRLBQD-UHFFFAOYSA-N 458.927 2.902 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1c(F)cccc1N1CCCC1 1611696296 FJWPGXGLOBACOJ-SBUREZEXSA-N 489.621 2.806 30 10 JFEE CCC[C@@](C)(O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614330883 GDJZFMZMDPLRTF-RUZDIDTESA-N 478.601 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C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1cccc(F)c1 1689846464 KKGGCLZNXCKUOE-INIZCTEOSA-N 456.547 2.914 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1689874928 FQFXKESXZQUJGY-UHFFFAOYSA-N 477.491 2.624 30 10 JFEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1689928745 VYPHMKZDXZBBAW-BHIFYINESA-N 456.635 2.560 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1689983840 HZDXTMKBNOAIPP-MRXNPFEDSA-N 493.420 2.969 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1689988367 NRMDYIFLPFLQQF-KRWDZBQOSA-N 491.520 2.856 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1690072369 FFNAXXPZJIRSEV-UHFFFAOYSA-N 461.570 2.741 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cc(C)nn2C)CC1 1690112214 RLQVBCNUOUAFFD-SFHVURJKSA-N 453.978 2.917 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1690120424 UOEMDLACZDUNCF-HSZRJFAPSA-N 463.586 2.609 30 10 JFEE 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C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690296958 ZEFYUACPLKJHGK-UNMCSNQZSA-N 482.629 2.821 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1690311799 UNWWTPXQUWWPFB-MOPGFXCFSA-N 476.622 2.652 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1690508937 STYVVAKGEIAARM-RBUKOAKNSA-N 460.579 2.714 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1690526874 FMNPGRCGBJBJJE-MSOLQXFVSA-N 457.579 2.668 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc3c(cc2OC(F)F)OCO3)C1 1690684245 BQFPGURBKUJRDD-HNNXBMFYSA-N 479.484 2.576 30 10 JFEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)N(C)C 1694289757 FJLMWDDYVVXWIN-VXKWHMMOSA-N 464.618 2.739 30 10 JFEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1)OC 1694449379 HPYDGPBDTHGIKC-NRFANRHFSA-N 465.558 2.772 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1697702799 HHNOIEMPXVYJTH-GHTZIAJQSA-N 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472.615 2.501 30 10 JFEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705835559 NYUPUBCCMZELJM-VWLOTQADSA-N 469.634 2.526 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1CC(=O)N1CCOCC1 1705868247 GUVFOGRLXLRWLG-UHFFFAOYSA-N 467.595 2.990 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C1 1705914832 FUSPNDNUHCDCJQ-FQEVSTJZSA-N 469.977 2.733 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCO[C@H](C)C2)C1 1705926734 JTCPJVBZKVZTKK-NQIIRXRSSA-N 460.648 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705930641 RVTKVFAJBZNWPH-ZYKOEDHHSA-N 474.627 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc(Cl)nc2C1 1705936134 KMUJNSNMLIWOJH-KRWDZBQOSA-N 451.980 2.732 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)CC1 1705997056 CIZXTOYKFIVTBI-MRXNPFEDSA-N 463.542 2.806 30 10 JFEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)CCO1 1706054611 DGEZKTULVKPIFM-NRFANRHFSA-N 454.575 2.896 30 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10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(-n2cccn2)c1 1722426727 GODAHMYARIKXNE-IFMALSPDSA-N 463.586 2.912 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722442115 STCFULGUHCNEEQ-WOJBJXKFSA-N 495.615 2.783 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1722446368 UHCOIHDURPKXBP-UHFFFAOYSA-N 472.597 2.595 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722453533 WMNQAFOAAQAKOB-UHFFFAOYSA-N 491.625 2.532 30 10 JFEE C#CCSCCn1c(N2CC[C@@](O)(c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722463980 RDYVDJIKRYKMLI-ZEQRLZLVSA-N 474.602 2.922 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722492831 DOQGIBIHNIIOPX-MIZPHKNDSA-N 488.677 2.867 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1722574684 PPXXIRJLKJCNDH-INIZCTEOSA-N 470.640 2.548 30 10 JFEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722584281 QSHDKBQVOVUCLN-UHFFFAOYSA-N 485.060 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464.614 2.772 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1589171591 KXUGDYXJRPMEHG-LJQANCHMSA-N 466.405 2.639 30 10 JFEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589317575 QTOYRBQATPYDTD-QGZVFWFLSA-N 489.374 2.629 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCSCC3)cc2)CC1 1594013772 KMVVJCYKGWDSNO-SFHVURJKSA-N 476.672 2.646 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1594582164 MIFPIPJCWDRCAE-FQEVSTJZSA-N 473.643 2.863 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1594680522 UBFTVKFJCHKQIP-QGZVFWFLSA-N 457.600 2.880 30 10 JFEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1594709043 GVSMBNQBAMXGCE-HXUWFJFHSA-N 459.616 2.851 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1ccsc1 1594895150 FTQPEIJVVUTTKB-NRFANRHFSA-N 461.613 2.787 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1595335137 NQUZOAHWVYTRPW-UHFFFAOYSA-N 471.608 2.995 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)Cc1c(F)cccc1F 1595466767 MUIBCJNJBMKGGD-UHFFFAOYSA-N 455.469 2.532 30 10 JFEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1603157776 BDBWWRDLWWNUIK-HKBOAZHASA-N 457.600 2.891 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC1CCCCC1 1611301994 DIBBDMMDKXBAJB-KRWDZBQOSA-N 476.585 2.769 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)SC 1613585448 GJONRUNKPKUSQF-UHFFFAOYSA-N 487.678 2.578 30 10 JFEE C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)o2)cc1 1613612269 ZETKYAMGNCHMRN-WBVHZDCISA-N 451.570 2.721 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(COc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1617352794 HFIZKAKYAXCBHR-JOCHJYFZSA-N 478.594 2.798 30 10 JFEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1619484772 FNZVXHGKGBMNRQ-TZIWHRDSSA-N 472.615 2.750 30 10 JFEE C=C[C@H](COC)NS(=O)(=O)c1[nH]c(C(=O)C(Cl)(Cl)Cl)cc1Br 1622055141 AUYAWXWNNIKPTR-ZCFIWIBFSA-N 454.557 2.809 30 10 JFEE C#CCN1CCC(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 1638678815 SUHGLLYSUKYSHO-FQEVSTJZSA-N 457.575 2.569 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 1644458138 ZBBVRNDHJQPUPJ-QGZVFWFLSA-N 456.568 2.832 30 10 JFEE CCOc1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1Br 1662240179 ATTJCCJBZRYVCO-UHFFFAOYSA-N 451.346 2.625 30 10 JFEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)c1 1662609609 CZRTVVAVRFVSIC-MRXNPFEDSA-N 454.733 2.836 30 10 JFEE COC(=O)c1ccc(CCNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(OC)c1 1686590609 HMPXVJOFCQNWDD-UHFFFAOYSA-N 450.539 2.860 30 10 JFEE C=CCn1cc(CNC(=O)N2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)nn1 1686847954 OINYWNAGKJPITR-UHFFFAOYSA-N 453.572 2.624 30 10 JFEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1689888455 JPLNOYNGSZDKBK-QFIPXVFZSA-N 471.627 2.975 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCC2(C)C)n1 1690109665 ZFBPQTJJOLRREQ-ICSRJNTNSA-N 453.591 2.538 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690238362 ITLSQHSVAMNCFN-AAORUROXSA-N 455.559 2.645 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690247890 HQHXDJWJAJWKFT-UZKOGDIHSA-N 454.575 2.960 30 10 JFEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690304902 QRNQGYCNIUNTAL-UHFFFAOYSA-N 461.632 2.960 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690676263 UXPAXJRYMHZIJT-UHFFFAOYSA-N 487.004 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC)[C@@H](C)C1 1690719556 PFPONEKHDZGXDM-HNNXBMFYSA-N 455.987 2.869 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690721149 YZQGTJIOLQVQMB-INIZCTEOSA-N 479.578 2.788 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 1696137656 CATYKODZORQIMM-OFNKIYASSA-N 497.644 2.572 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1697044665 GBDHENPIKBPQJW-QGZVFWFLSA-N 490.511 2.976 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(CCN(C)C)CC1 1705476354 YCTYCASBFUCPPS-NRFANRHFSA-N 465.646 2.879 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1705517080 OFYZECBLQGUSRH-LJQANCHMSA-N 477.656 2.773 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705564139 AMGJHQJPFPGZNY-IBGZPJMESA-N 457.600 2.793 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(=O)NCC)c1 1705588198 ZKXLITBAABNWAD-SZPZYZBQSA-N 490.608 2.920 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 1705633424 QUSJEPFITSNCSY-UPTQXZAWSA-N 459.591 2.614 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(OCCC)c2)CC1 1705643365 CUMQIDFOAZBMSO-UHFFFAOYSA-N 492.624 2.511 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1705647896 KXYVZXFSYVMIFW-NRFANRHFSA-N 480.613 2.759 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[C@@H]2OC)CC1 1705649498 AAGFNOKTJPUMHA-GCJKJVERSA-N 471.552 2.928 30 10 JFEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(F)F)CC1 1705658154 GMVLNULUPIFJAG-UHFFFAOYSA-N 457.554 2.884 30 10 JFEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705659075 KQETUBLLDUIGCS-UHFFFAOYSA-N 472.640 2.653 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(O)cc2)CC1 1705664544 SADHREZIBQXYBC-UHFFFAOYSA-N 482.635 2.668 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705681298 RGXYMTLJYNASEC-DOTOQJQBSA-N 469.384 2.705 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCN1CCOCC1 1705682017 NIIIRLMLBTYDTO-UHFFFAOYSA-N 488.228 2.723 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705722984 TWNKBDOKDDDURA-GOSISDBHSA-N 457.575 2.706 30 10 JFEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCS(C)(=O)=O)CC1 1705767119 BKGNAHICABPUCO-UHFFFAOYSA-N 480.660 2.610 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 1705819190 FPJGSHXDDANEQM-LJQANCHMSA-N 476.622 2.905 30 10 JFEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705830100 JBEGRHODTAACCK-SIKLNZKXSA-N 455.559 2.688 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705830446 PTHJHYSLEAAFKW-MOPGFXCFSA-N 497.662 2.609 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O)C1CC1 1705855136 WHGUNSBEYRFAKZ-FQEVSTJZSA-N 484.601 2.797 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1705876430 XTLQYFTWLFTDNI-INIZCTEOSA-N 453.609 2.662 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705887089 MVEXOLJUGWBQQZ-RTBURBONSA-N 456.566 2.876 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1705897327 KJWLBSDWYWDPNI-YTQUADARSA-N 477.993 2.841 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1705946401 GWMVQXSPHCYOEO-QFBILLFUSA-N 483.635 2.867 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 1706159493 IBLQLMGTPXUDBM-FDDCHVKYSA-N 477.585 2.514 30 10 JFEE CC1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1708141452 GEMOASSHWUWLIY-QFIPXVFZSA-N 465.602 2.598 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1722363190 RIQMYTBBRDHIRA-WOJBJXKFSA-N 455.609 2.729 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1722363463 UIFQTSPBGGWSIE-IMWIBFENSA-N 472.611 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722443113 NLFUKOBXIYPSQE-XZOQPEGZSA-N 479.625 2.748 30 10 JFEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1)c1ccccc1 1722540048 HMSDMONOLPBCJJ-NHCUHLMSSA-N 491.683 2.902 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](OC)C(C)(C)C1 1722693453 OODVTISKCCIDNT-KRWDZBQOSA-N 478.391 2.880 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 1722709514 RRNZRXXIEBPOPC-IAGOWNOFSA-N 450.584 2.501 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722728980 VGPURJRJPYWSSS-UHFFFAOYSA-N 470.643 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722750816 OVNIXWXMCLJQHM-UHFFFAOYSA-N 486.598 2.804 30 10 JFEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)NC(=O)OC(C)(C)C 1723124653 HWYIZKZJEYLTNY-FQEVSTJZSA-N 497.600 2.556 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncnn2C(C)(C)C)c1 1724279198 CGBJEEKQKUNAPX-GOSISDBHSA-N 450.547 2.598 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1740625396 FJWRVSIGMBAGAP-NRFANRHFSA-N 466.611 2.727 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCN(C)C1 1740677788 QLRIMTYRPNYRBX-QFIPXVFZSA-N 487.377 2.881 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740681087 XEOPERSREWYKLV-REPLKXPHSA-N 460.600 2.638 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CC(OC(C)(C)C)C2)CC1 1740699213 YEFXOCXNKDYGOK-UHFFFAOYSA-N 453.635 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncc(CC)s2)CC1 1740701300 BJUBZWJVJIUZFK-UHFFFAOYSA-N 459.579 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)[C@H](C)CCC)CC1 1740704521 RNHHTTYRFAYQDP-GOSISDBHSA-N 468.577 2.602 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)CN2CCCC2)CC1 1740708400 OCCKRSRMNDKZRT-JOCHJYFZSA-N 462.642 2.761 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1 1740716984 GINOMEWHKWBZOL-QGZVFWFLSA-N 462.576 2.577 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1740726056 UDCYAFXPRDMDQS-NOZRDPDXSA-N 457.619 2.959 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnc(C(C)C)nc1 1740765016 ZWUVXYQVNHBIPY-DENIHFKCSA-N 453.591 2.932 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 1740765754 CENFNLAZSQKQHD-YKSBVNFPSA-N 469.586 2.906 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740779025 ZYJHPYGFPGAZIR-SFHVURJKSA-N 454.531 2.649 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1740932630 RZEITBNALUAVCX-CTNGQTDRSA-N 459.616 2.902 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1740954750 FUEGKUWWOIVHCH-UHFFFAOYSA-N 466.517 2.838 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1740963057 XXEQOODOQRAVLE-LJQANCHMSA-N 450.612 2.943 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740963375 IZIAUMOYBCFVIV-UHFFFAOYSA-N 468.602 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740988004 QSHYIRSQVBXWNR-IBGZPJMESA-N 475.571 2.586 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740989597 RUHPOKYXTYRMCJ-HXUWFJFHSA-N 477.537 2.741 30 10 JFEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1741152022 GWDHJLSTXLBAHH-UHFFFAOYSA-N 494.518 2.785 30 10 JFEE CCCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)C(=O)OC(C)(C)C 1745649209 IAJSNOAWUSRIBF-UHFFFAOYSA-N 497.600 2.654 30 10 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NAZATGNOVKCVKD-KBXCAEBGSA-N 464.368 2.861 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2366878148 MLYARSWDYLJASG-WBVHZDCISA-N 468.306 2.885 30 10 JFEE Cc1cc(C)nc(N/C(=N\C(=S)NC[C@H]2CCCO2)N2CCN(c3ccccc3)CC2)n1 14160761 DTZICKZUCYCYNG-HXUWFJFHSA-N 453.616 2.737 30 10 JFEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3cccc(Cl)c3)n[nH]2)c([N+](=O)[O-])cc1O 59040042 JFEMQNDLUXJZMC-LSFURLLWSA-N 491.917 2.935 30 10 JFEE CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3cccc(C(F)(F)F)c3)n[nH]2)cn1 59311891 SBELACNMUZXXAS-LIMNOBDPSA-N 452.466 2.894 30 10 JFEE N#C[C@H]1C(=O)Nc2nc(NCCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCCO2 72461375 VNIXPIAYAPWUMF-XLIONFOSSA-N 457.490 2.810 30 10 JFEE C#CCOC[C@H](O)CN(CC=C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1 169680355 USTJNKRAXHDLBW-YKSBVNFPSA-N 484.618 2.760 30 10 JFEE C=C1[C@]2(C(=O)OC)C(=O)[C@](C)(O)C(=O)[C@]1(C)C[C@@H]1[C@]3(C)C=CC(=O)OC(C)(C)[C@@H]3CC[C@]12C 253390129 SGTJQTPUMKGFFZ-FVSIVHATSA-N 458.551 2.945 30 10 JFEE biogenic CN[C@@]1(C#N)CCC[C@H]1CCn1cnc(I)c1I 385473627 LSXJHHYLRGSKJL-JOYOIKCWSA-N 470.096 2.764 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)cc2C1=O 853260606 ACSIDBCOVKYWRM-CQSZACIVSA-N 450.447 2.814 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 856662568 LQOAHYBANHJTTI-JOCHJYFZSA-N 472.611 2.680 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 857835930 AIENJYWJXBRSME-SFHVURJKSA-N 480.546 2.585 30 10 JFEE C[C@H](NC(=O)CSc1nnc(NN=Cc2cc(Br)ccc2O)n1N)c1ccccc1 1084057902 SQKOJSYGNYJBGK-LBPRGKRZSA-N 490.387 2.876 30 10 JFEE C=C(C)C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)OC 1132422041 KTWRBWLAGOLKFB-QGZVFWFLSA-N 452.554 2.576 30 10 JFEE C=CCn1c(SCC(=O)NCC(=O)N2CCCO2)nnc1-c1ccc(Cl)cc1Cl 1143367108 CKIICZBTXWMWEZ-UHFFFAOYSA-N 456.355 2.810 30 10 JFEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cnn(-c2ccccn2)c1C 1211518607 UMFSQPQBWGUZIX-FQEVSTJZSA-N 454.552 2.927 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)CC1 1255791712 YUNRUGSPKQGZAP-UHFFFAOYSA-N 451.477 2.951 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1286296437 OPPIJPBVIUONIT-ROUUACIJSA-N 492.621 2.911 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1286378221 QBQGYURPLZFGAY-VHXPQNKSSA-N 462.554 2.885 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286385137 ULTDYXDAANSVOG-SFTDATJTSA-N 493.029 2.811 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1286388508 QISKRKKLPVUWKF-INIZCTEOSA-N 487.409 2.542 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1286393471 LBRUNROYUNKRFY-REWPJTCUSA-N 488.610 2.604 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286394379 OHAGBNCSFUTTDE-QFIPXVFZSA-N 473.618 2.511 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286394979 YLGQASKCBKSHIC-PKTZIBPZSA-N 478.622 2.725 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1C 1286458283 PATREKGNVXIMTC-VCOUNFBDSA-N 489.617 2.826 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCN2CCC(O)CC2)CC1 1286488003 JUQBYJAZMGBKIR-RUZDIDTESA-N 492.668 2.633 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286505526 CNCYUAIBNJKNLJ-IBGZPJMESA-N 454.556 2.513 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NCC)CC1 1286533346 GKKXFJRBAGNSLC-UHFFFAOYSA-N 464.324 2.613 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCO)CCc1ccccc1 1286770148 VXTNDWPNXQEHSE-UHFFFAOYSA-N 454.600 2.774 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286820202 GZCNAZFGGVARGN-HNNXBMFYSA-N 476.525 2.509 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286827159 FRVZUWMUZLXZNI-FQEVSTJZSA-N 487.626 2.709 30 10 JFEE CN(C)CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1298088618 HNGCSLGUBZSSRT-VWLOTQADSA-N 465.602 2.519 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)s1 1300381183 PMRZCNCORAXDHD-GFCCVEGCSA-N 460.423 2.762 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300384406 OWOZFXMAELQFPN-HXUWFJFHSA-N 468.577 2.715 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1300391588 QHXJAAYSWSGYHN-HXUWFJFHSA-N 481.626 2.726 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)CN1CCN(CC)CC1 1300522997 SZAIMASRQONXGP-QFIPXVFZSA-N 455.610 2.840 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1c(F)cccc1F)N(C)C 1300528120 PZKQMDQPGOLVGA-IBGZPJMESA-N 466.492 2.660 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1CC1CN(C(=O)OC(C)(C)C)C1 1300654625 BIVUJMFLKHYKJJ-UHFFFAOYSA-N 485.585 2.915 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1([S@](C)=O)CCC1 1300655475 YZYMABVNCOEIIB-PMERELPUSA-N 450.992 2.994 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1COCCO1 1300657254 IVDUFHTZRJZFJJ-LJQANCHMSA-N 453.568 2.878 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(=O)NCC(F)(F)F)CC1 1300691311 UKMWLAGWVRZTJB-UHFFFAOYSA-N 492.546 2.804 30 10 JFEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1300833928 GIPIOZKNHLBWEP-UHFFFAOYSA-N 471.359 2.697 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1300852835 DRGAQDULGFRRMI-UHFFFAOYSA-N 458.364 2.791 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cn(C2COC2)nn1 1301391149 QUOOLSIYYJOZBD-UHFFFAOYSA-N 484.605 2.782 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1301485175 SLEXVISAPLAONU-WIYYLYMNSA-N 463.586 2.640 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301536767 ZWBOTQCUOGXOPS-CPJSRVTESA-N 469.586 2.634 30 10 JFEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)n(C)n1 1304729579 APIHVVSTJNSTFB-UHFFFAOYSA-N 476.585 2.514 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1306049611 GAHBKMQYAYPNOW-SFHVURJKSA-N 463.542 2.559 30 10 JFEE COc1cc(CN2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc(OC)c1OC 1307504433 FUDUXJQILLWIJS-NRFANRHFSA-N 450.539 2.507 30 10 JFEE C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1311891278 KJMXEAHZYMZTFT-UHFFFAOYSA-N 456.612 2.896 30 10 JFEE COc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@H](OC)C(C)C)c1 1315562536 FYJRCNMLSRJIBZ-QFIPXVFZSA-N 478.601 2.865 30 10 JFEE COc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN(C)C(C)C 1315606336 FVIJORLHWXRHHH-UHFFFAOYSA-N 460.586 2.887 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCCS1 1316089360 FNYQNIRGVANWLB-REWPJTCUSA-N 489.667 2.991 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCc2ccc(Br)s2)cc1 1316529828 FADITVKFFZMUOA-UHFFFAOYSA-N 457.357 2.820 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1358959268 FRNWAZJBSCBZFO-IBGZPJMESA-N 456.593 2.999 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1358959300 GHMWOSJFYBRJGU-DLBZAZTESA-N 499.534 2.595 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1358964568 BLNBRASEZPYKRA-RBUKOAKNSA-N 462.616 2.920 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358968089 ZDODWTPVXZIKKQ-NBGIEHNGSA-N 486.638 2.733 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccc(C)s1 1358988740 BCOYHZZHKBHPLS-UHFFFAOYSA-N 489.026 2.805 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1359002030 LHJGZTIIPZPBFP-ZZEZOPTASA-N 469.343 2.694 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1359042574 LTGSYKGRHDIDHQ-NRFANRHFSA-N 451.571 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)c2cccs2)CC1 1359046439 ROZBYYHRZPKSDU-SANMLTNESA-N 493.633 2.813 30 10 JFEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359050391 PCLDNSIBLJWQOW-SUMWQHHRSA-N 478.391 2.928 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O 1359070805 VOJBSWBCIRVLED-JWQCQUIFSA-N 470.618 2.863 30 10 JFEE 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C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1705861632 KORLRNUXJQHIKZ-LJQANCHMSA-N 475.615 2.898 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705909532 ZTRLQIQFTUCLFK-QRVBRYPASA-N 475.638 2.571 30 10 JFEE CN(CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1711194999 GKFAEWMPOINRQA-KRWDZBQOSA-N 470.530 2.660 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CC)N1CCCC1 1722276561 FBICGTHWDVUUOE-HKUYNNGSSA-N 457.648 2.879 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722292206 IIOJZSUIIILJPG-IRXDYDNUSA-N 479.585 2.905 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCCCC2)c1 1722307361 LXGIEUFCDFCMHX-UHFFFAOYSA-N 491.640 2.721 30 10 JFEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722317077 MHLKMAGAOPXTNE-UHFFFAOYSA-N 479.535 2.771 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722362375 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C#CCN(c1nnc(-c2ccccn2)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740621309 LHUSNSJFIVTVFN-QFIPXVFZSA-N 478.622 2.883 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSC(F)(F)F)CC1 1740693141 VECCZLAUJFJGOY-UHFFFAOYSA-N 453.490 2.725 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C2CC2)N(C)C)CC1 1740693488 ZZSUMCKHYTZRNE-HXUWFJFHSA-N 457.420 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1740702848 AEGFGZQNQJZRLA-HXUWFJFHSA-N 464.614 2.651 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740716485 YTKPKEIYUGBQFS-UHFFFAOYSA-N 462.579 2.683 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1740719590 IDRYRDMCZVHODF-MRXNPFEDSA-N 481.548 2.824 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740758698 AWWHTCVSWYXRAD-ADGBJGEGSA-N 454.619 2.791 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1740986868 JUHVEEKAQHONAM-KRWDZBQOSA-N 465.595 2.867 30 10 JFEE 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1760279619 CRAJYXXILKOATG-HXUWFJFHSA-N 489.667 2.705 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1760290311 BRPMQBXMOOTFHL-JWQCQUIFSA-N 451.571 2.661 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccco1)C(C)C 1760316293 PIXFRCAVTPXCJA-AOIWGVFYSA-N 451.593 2.878 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1760328267 SYYAFMHJKHFIPB-RLSLOFABSA-N 475.634 2.606 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1OC 1760330542 GSODWBGNZARSAL-PZJWPPBQSA-N 477.631 2.649 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1760366551 CIILDSZLZSCQFP-INIZCTEOSA-N 450.946 2.520 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760451006 XROROQLACQWPHJ-DFBJGRDBSA-N 488.633 2.844 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760517804 YOPDWGUMJFOWLS-FUHWJXTLSA-N 459.616 2.818 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1760518528 BBGDRHWJWZUYLT-GOSISDBHSA-N 450.543 2.872 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1760520760 YTBDOCFFHJDNQQ-LJQANCHMSA-N 483.370 2.983 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1760556670 LZXLRCOOHUYWEN-NRFANRHFSA-N 454.600 2.853 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1760558035 DJVUVDRJARLBCU-RUZDIDTESA-N 497.621 2.696 30 10 JFEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760560464 WEFBNFAYCJWERV-OAQYLSRUSA-N 484.670 2.912 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC[S@@](=O)C(C)(C)C 1761229725 AWOZFUOQXPBQRB-UUWRZZSWSA-N 485.658 2.552 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1762301277 BWSPIMIDWRCFDG-NSHGMRRFSA-N 459.639 2.682 30 10 JFEE CC[C@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c1 1763914688 BSLPHNNYLAMOHZ-SFHVURJKSA-N 463.586 2.717 30 10 JFEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1764622896 BEJICWRLUIIAIP-FQEVSTJZSA-N 466.567 2.672 30 10 JFEE CN(C)CCOc1ccc(CCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1766927465 GVICQXBYOQBTPW-VWLOTQADSA-N 463.561 2.889 30 10 JFEE CNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769104443 CYMAHDZZGNKOKD-UHFFFAOYSA-N 451.619 2.833 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)F 1769120997 HWGHQSWWNHCGRO-HNNXBMFYSA-N 469.496 2.722 30 10 JFEE CC(C)c1ccc(S(=O)(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)cc1 1860845131 DNTCUEIQVDTNLP-UHFFFAOYSA-N 466.523 2.944 30 10 JFEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 1868781972 CQRAMSMOPFRTQY-OAQYLSRUSA-N 469.586 2.629 30 10 JFEE CCOC(=O)c1sc(C2=C(N)N(c3ccc(CC(=O)OC)cc3)CC2=O)nc1C(F)(F)F 1872726455 XRVBMZYHAZHTCS-UHFFFAOYSA-N 469.441 2.771 30 10 JFEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(F)cc1F 1874276911 DYVLHWXJRYYDCX-ZJCNFCNTSA-N 451.499 2.818 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(O)cc1O 1874433276 IHRPEKRUMOJROC-YSURURNPSA-N 468.539 2.555 30 10 JFEE O=C(CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1)Nc1nccs1 1874459736 DCNGCDOPLXTFPU-CGOBSMCZSA-N 473.418 2.980 30 10 JFEE CC(C)(C)OC(=O)NC1(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)CC(CO)C1 1879576295 GLRDWMMKNGFMAQ-UHFFFAOYSA-N 450.385 2.832 30 10 JFEE C#CCN(C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1965072799 IJWXYOFSLNCIMP-UHFFFAOYSA-N 479.618 3.000 30 10 JFEE C#CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C1(O)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 2136303267 ONUPBNKJDUYYKJ-GOSISDBHSA-N 465.591 2.656 30 10 JFEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(N)c(Br)cc1OC 2197022263 BIYSNWMUQQVKGQ-UHFFFAOYSA-N 464.382 2.789 30 10 JFEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255810532 KYZCHSUYTBTWQW-UONOGXRCSA-N 451.398 2.912 30 10 JFEE C=C(CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)B1OC(C)(C)C(C)(C)O1 2255952912 AHXMHNCZRXBPBP-UHFFFAOYSA-N 472.335 2.893 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2266991567 IDCKVFZVCWPGEI-ORCIVFGKSA-N 468.381 2.792 30 10 JFEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2267007236 VNMNARIVJWOYCL-OAHLLOKOSA-N 468.787 2.597 30 10 JFEE Cc1sc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2267102760 YIQCHXLSFVZGCB-LJQANCHMSA-N 460.327 2.947 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC(F)(F)C1 2267292264 AQTWKUSRFNXYCE-UHFFFAOYSA-N 456.295 2.907 30 10 JFEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267352604 GQBOYQULIQZSBI-UHFFFAOYSA-N 460.380 2.630 30 10 JFEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267471033 DBCZPIVEMUHWNU-MRXNPFEDSA-N 468.425 2.566 30 10 JFEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2267531085 LBBIRDIOTAHISR-YCPHGPKFSA-N 463.409 2.960 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3ccn(Cc4ccccc4)n3)cc2)OC1(C)C 2267717582 GFUBOBOIFMRZTR-UHFFFAOYSA-N 453.373 2.709 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1(F)F 2268782000 GQHDNXCGSNSZMA-HXUWFJFHSA-N 453.295 2.869 30 10 JFEE CCn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282037571 XJRADTKHCHJDHU-HOTGVXAUSA-N 462.400 2.578 30 10 JFEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2282044752 ROCKUOSACCZGQK-IHWFROFDSA-N 450.392 2.645 30 10 JFEE Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282119254 PLDTVTCVRCEWOY-GOSISDBHSA-N 462.396 2.594 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(F)(F)F 2282175994 ZVDQHAKTOVJUKT-OAHLLOKOSA-N 473.301 2.956 30 10 JFEE Cc1cc(S(=O)(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282307308 ZZJPSWOFFXQNLT-HSZRJFAPSA-N 480.436 2.972 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282507364 GMWDNFZEVBQCIH-JLCFBVMHSA-N 498.838 2.927 30 10 JFEE C[C@@H]1[C@@H](C)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCN1C(=O)OC(C)(C)C 2282534841 ITTKNNJJJPDRCI-HUUCEWRRSA-N 463.359 2.990 30 10 JFEE CN(C[C@@H](O)CN(C)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282543021 MTIRXKRTUVTOSZ-INIZCTEOSA-N 482.814 2.939 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@@]21CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282579561 GLFCPYFRDKNKRC-NPMXOYFQSA-N 460.384 2.618 30 10 JFEE CC1(C)OB(c2cnsc2C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)OC1(C)C 2282613286 ZJNFDVQIWIMHLT-UXHICEINSA-N 469.416 2.558 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282687038 ZRKPFJIPMAMWSR-UHFFFAOYSA-N 457.380 2.854 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)s1)C2 2282864990 NTIOIYWVZVQWAQ-IVZQSRNASA-N 498.476 2.973 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2282869116 XSCZOKIHQYTFJJ-GOSISDBHSA-N 480.436 2.958 30 10 JFEE C[C@H]1CN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)C(F)(F)F 2282933356 XBCULZSLYRJLFO-SWLSCSKDSA-N 457.258 2.787 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 2283975887 VZUDWCOMSVCRHP-QGZVFWFLSA-N 459.396 2.832 30 10 JFEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2284038843 JVEIVRSLPDAFNL-MRXNPFEDSA-N 474.392 2.912 30 10 JFEE CC(=O)O[C@@H]1CC[C@]2(C=NO)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]2(O)C1 2297736674 XEZYOTFVCGERLI-USSSAQHVSA-N 461.555 2.730 30 10 JFEE CCOc1cc(C=NN=c2nnc(-c3ccc(OC)cc3)c(O)[nH]2)cc([N+](=O)[O-])c1OCC 2323288882 QDUWETAWKTZCJD-UHFFFAOYSA-N 454.443 2.826 30 10 JFEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(S(N)(=O)=O)cc4)ccc3C2=O)o1 2325022163 RQHHWAYVHTVCDR-UHFFFAOYSA-N 454.460 2.869 30 10 JFEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(=O)OC)cc1 2329056733 MCTTYCNSPDYPJU-GOSISDBHSA-N 487.582 2.717 30 10 JFEE Cc1scc(C(=O)N[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2369540534 SLDWQBSGDJVKKL-HYVNUMGLSA-N 478.420 2.720 30 10 JFEE Nn1c(N/N=C/c2cccc(Br)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20292161 LALCTTIKAKODLO-AWQFTUOYSA-N 491.331 2.839 30 10 JFEE C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)CC1 36003335 MBUMVYISQQNDSY-JOCHJYFZSA-N 487.576 2.632 30 10 JFEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 39915215 TUCBFDZKFRDEJE-MRXNPFEDSA-N 456.973 2.940 30 10 JFEE COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 104028435 AVLILEZRXWCJFP-LUQAYJOQSA-N 478.545 2.773 30 10 JFEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC=C2C3=CC(=NO)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]21C 607737151 NISNRXHXSLWTHW-SKUHAZGKSA-N 477.642 2.920 30 10 JFEE biogenic C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(=O)OC)C(=O)O 757445788 PQLGPGSGEQFEBO-RTWAWAEBSA-N 466.490 2.602 30 10 JFEE O=C(O)c1ccccc1NS(=O)(=O)c1ccc(NN=Cc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 885968074 WNVSQHZZWMCVQN-UHFFFAOYSA-N 472.435 2.951 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCC)[C@@H](c2cccnc2)c2ccc(F)cc2F)C1=O 1126345053 FZSGJJQJIAHMOD-FQEVSTJZSA-N 456.449 2.665 30 10 JFEE C#CCN(C(=O)c1cc(S(N)(=O)=O)oc1C)[C@H]1CCOc2ccc(Br)cc21 1136804604 GNGVPFQWCBDNMK-HNNXBMFYSA-N 453.314 2.597 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cc(OC)cc(OC)c1)c1nccn1C 1141270887 IWFCRPGCTIEGSJ-WOJBJXKFSA-N 456.543 2.950 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1286274392 JLMBLSXDDHUKDH-YWZLYKJASA-N 467.496 2.698 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCN1CC 1286294831 FRDYJIWGADUGMZ-XUVXKRRUSA-N 460.623 2.919 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CCC2)c1 1286309630 NVPZIKMZBQPTLX-UHFFFAOYSA-N 455.584 2.569 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1286337086 WUDLFMFYWFMXHC-DHIUTWEWSA-N 466.678 2.938 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286357259 RVFWMPDXZATQMI-RUZDIDTESA-N 464.570 2.702 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1286392296 LIMTWYZNBYLTBM-SFHVURJKSA-N 488.664 2.530 30 10 JFEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CCCC1 1286441919 GWDDUUBTXCMGAG-UHFFFAOYSA-N 452.584 2.948 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCn2cc(Br)cn2)CC1 1286482724 XBVSOVHYFFGYEM-UHFFFAOYSA-N 482.430 2.982 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCN(CCC)C2)CC1 1286485670 UJUIOINGGIAHQM-VXKWHMMOSA-N 485.677 2.837 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](SC)C(C)(C)C)CC1 1286488247 LUPLBPUXTAJEAM-CYFREDJKSA-N 477.675 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1286490538 XLWPGWIRZUEVLK-SJORKVTESA-N 461.492 2.995 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC=C)CC1 1286495314 YLIQDDCNACBHHW-OAQYLSRUSA-N 467.595 2.676 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCC(C)CC2)CC1 1286537604 GZIHBBKQFHKTJY-BDVYOWHSSA-N 451.413 2.839 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1286592726 SEVLWHVGTINNOR-LJQANCHMSA-N 476.622 2.857 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286612706 JAUNHRHKOHIPEJ-GOSISDBHSA-N 455.529 2.805 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCO1 1286744564 LFACONZAVSNSHJ-FUHWJXTLSA-N 451.568 2.789 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(O)(c2ccccc2)CC1 1286779349 GWNCOEIPJQBVSP-UHFFFAOYSA-N 499.413 2.836 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286790670 IXOWGQXAAIFFPS-KRWDZBQOSA-N 488.583 2.828 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1286792333 UXNRBVDWLVUICU-HNNXBMFYSA-N 478.391 2.926 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(N(C)C(=O)OCC)CC2)cc1 1286797586 XJFLQYZMYJDPLI-NRFANRHFSA-N 482.585 2.899 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC[C@H]21 1286814898 HSFWLMFKQORIPR-NVXWUHKLSA-N 462.572 2.560 30 10 JFEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N1CCCC1 1287155625 DGXRRPBMLSWXQJ-QHCPKHFHSA-N 499.685 2.797 30 10 JFEE COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cc(Cl)c1OC 1299880467 IFOVXENVEIOLJZ-FQEVSTJZSA-N 450.902 2.577 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCOC[C@H]2C)c1 1300333928 GKLGHAHTSOZGIK-DENIHFKCSA-N 458.566 2.993 30 10 JFEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300501280 INTIBJPTHXTFIF-FQEVSTJZSA-N 468.627 2.970 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(N2CCOCC2)n1 1300547955 UPBBGDOYZPHUAV-FYYLOGMGSA-N 462.598 2.549 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(NC(C)=O)nc1 1300635016 AAJNCOOYRRMTAU-UHFFFAOYSA-N 486.624 2.504 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1300743722 YTBOOJQCTDZIFW-LJQANCHMSA-N 499.637 2.929 30 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451.527 2.720 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCC2CCOCC2)c1 1358901220 CVXSHYZNYJIQIU-AREMUKBSSA-N 481.597 2.803 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1358919967 OQKTVUORXHLLCU-NVXWUHKLSA-N 450.634 2.759 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358965874 CXQMJFOBEMKXAN-ATKRNPRHSA-N 486.638 2.732 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)CC(F)(F)F 1359007855 YWESAINBHNOHEV-UHFFFAOYSA-N 461.492 2.536 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(COC)CCOCC2)CC1 1359032028 YQMHTRNAMUPUPO-UHFFFAOYSA-N 488.430 2.906 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)NC2CCCCC2)CC1 1359032719 AMHFEFAAZZMQFO-UHFFFAOYSA-N 494.640 2.945 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCNC(=O)C(C)(C)C)CC1 1359034122 DJISBOXTCXWOFI-UHFFFAOYSA-N 461.570 2.518 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2ccc3c(c2)OCCO3)CC1 1359040418 UGHXLPVFMDWQGR-UHFFFAOYSA-N 451.571 2.555 30 10 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490.626 2.555 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1359325453 FWRKMRYWKIERBO-KURKYZTESA-N 459.513 2.564 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359328888 QNWLOCWFIJKYBX-QFIPXVFZSA-N 484.626 2.903 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1359329879 XUVFGBFPHQTQIL-FQEVSTJZSA-N 458.540 2.725 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1359330810 DKOIURBPIKLAIX-JKSUJKDBSA-N 481.644 2.717 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCCCCC2)CC1 1359331987 LTLOQFXUCZKHRV-QFIPXVFZSA-N 479.691 2.865 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1442038885 ZTHQVHNHKJPVPY-PXAZEXFGSA-N 454.877 2.712 30 10 JFEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(C)c1 1442630652 FRMQERQBFXBSBU-UHFFFAOYSA-N 456.612 2.742 30 10 JFEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1473258261 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C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCN1CCN(c2ccncc2)CC1 1507669975 WQBHGINDIXNZFR-XMMPIXPASA-N 461.614 2.590 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2c(C)nn(C)c2C)CC1 1507722263 SENJRHJGWDLDRY-NRFANRHFSA-N 477.613 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCCO2)CC1 1507735616 ZPWWFZBLNWKVEO-OAQYLSRUSA-N 481.597 2.887 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[S@](=O)C(C)(C)C)CC1 1507739609 CUIWRNGTZXOTFO-UMSFTDKQSA-N 485.654 2.679 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)COC)CC1 1507793369 DDLLZJGUSKQOLK-AUSIDOKSSA-N 453.587 2.966 30 10 JFEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507947982 MPJLOUKUDIVACG-ZWKOTPCHSA-N 467.636 2.982 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1508095649 ZACSPOFJCOAYBL-UHFFFAOYSA-N 471.949 2.888 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1508119686 WHLXSBSWWNNSOR-HXUWFJFHSA-N 450.547 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnc(C)s1 1508135523 JBWWWCRMSJBYRY-UHFFFAOYSA-N 452.993 2.996 30 10 JFEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CCOC1 1517947497 HAYFUWGLCAINTQ-DFBJGRDBSA-N 498.584 2.638 30 10 JFEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C[C@@H](C)O1 1518939291 CTQGNRXNVNCYIB-IIBYNOLFSA-N 452.490 2.551 30 10 JFEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C[C@H](C)O1 1518939292 CTQGNRXNVNCYIB-KKSFZXQISA-N 452.490 2.551 30 10 JFEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1530807853 BDJCRXBOETUSRD-UHFFFAOYSA-N 454.596 2.982 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1539015253 YAPIWDVJYOTCJI-UZUQRXQVSA-N 461.582 2.813 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2C[C@@H](C)C[C@@H](C)C2)c1 1539039039 YFFJBPNLXNXFBH-OYRHEFFESA-N 493.656 2.841 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1539059435 PGGRVSGKCGFBSX-PZJWPPBQSA-N 453.587 2.923 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1C 1539071965 HYXANVRZEJXVGL-PZJWPPBQSA-N 459.616 2.920 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2cccn2)CC1 1539101626 CZHDATGIIHLCMZ-UHFFFAOYSA-N 452.584 2.875 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1539224866 JFCRSBPFXDERQW-QGZVFWFLSA-N 491.589 2.781 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)cc1 1539365152 GIGKPESWJAVKAI-HXUWFJFHSA-N 466.586 2.999 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)c2ccco2)CC1 1539432042 YAZTWFWBZSINGR-QFIPXVFZSA-N 470.371 2.964 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1539436434 RSTVUAGVDPMLMB-ZJSXRUAMSA-N 483.613 2.548 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@](C)(O)CCC(C)C)CC1 1539446081 PWHPWLJVABFPNE-HHHXNRCGSA-N 491.640 2.617 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1539517268 LAMPLBBNQRXQGC-PZJWPPBQSA-N 492.642 2.636 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C(=O)OC(C)(C)C 1539548038 DOQTZCIUVMFZQO-XMMPIXPASA-N 477.573 2.780 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCNS(C)(=O)=O)CC1 1539874931 LUCMBQNBBCQMJV-UHFFFAOYSA-N 455.588 2.677 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1540004772 GBJOUXAQOKTTQC-HXUWFJFHSA-N 489.617 2.567 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1540120586 FGUCTHCJNADXJB-FQEVSTJZSA-N 465.583 2.568 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1540865882 VKANDPOVSXTOMO-UHFFFAOYSA-N 466.615 2.550 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1540866135 CXZSPZFWGALCPT-MRXNPFEDSA-N 484.992 2.729 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540874229 YZFFADVURATAPE-ICSRJNTNSA-N 468.602 2.715 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1540877888 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C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1589134521 MTENNFVZEJYBAS-VJANTYMQSA-N 479.647 2.718 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1589708831 WTLKRCRRFSPQJJ-GJZGRUSLSA-N 468.649 2.796 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1593689908 FHFWHWOCAAEPEK-LJQANCHMSA-N 476.622 2.943 30 10 JFEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1594553393 ZJBLZBZBNLDIHH-IRLDBZIGSA-N 466.586 2.941 30 10 JFEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1595026536 NUVLXEYOJYVWBO-INIZCTEOSA-N 464.563 2.652 30 10 JFEE COC(=O)[C@]1(c2ccccc2)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1595438553 HZOOUCCIOTWXMK-BXKMTCNYSA-N 451.910 2.908 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1595522689 IPILKLNQIUTEFP-UHFFFAOYSA-N 478.532 2.572 30 10 JFEE C#CCN1CCC(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)CC1 1596610719 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C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(-c2ccccc2)c1 1705601242 CTLMNMMCSDEBCS-UHFFFAOYSA-N 469.574 2.967 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1705624476 COOVOMAPXWJGGH-UHFFFAOYSA-N 492.580 2.873 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2c(CC)nn(C)c2OC)CC1 1705634926 MWAIMBFPGJGODQ-NRFANRHFSA-N 461.614 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)CC)CC1 1705647067 ZELLGOMNZSODOF-XIFFEERXSA-N 469.655 2.977 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2[C@H]2C[C@@H]2C)CC1 1705647388 CZZLFANKWKUVTK-PXNSSMCTSA-N 470.618 2.939 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1705674710 ORNNELZCBFJQJV-DQMJNTIXSA-N 459.591 2.740 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1705678170 QKFFUNJRZISBPZ-JOCHJYFZSA-N 458.584 2.683 30 10 JFEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705730872 OVXKOSOJJPFDHU-GOSISDBHSA-N 456.572 2.551 30 10 JFEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1705742733 DNGHDPPPKUCCBA-FQEVSTJZSA-N 454.600 2.880 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1705811903 MYRSKPOHEZCXRC-MRXNPFEDSA-N 478.022 2.706 30 10 JFEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1705888945 MZDRTKXQOCKWGC-PMACEKPBSA-N 452.603 2.766 30 10 JFEE C=CCSCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1705950165 TZOYZVQPRWFNLC-JOCHJYFZSA-N 462.595 2.710 30 10 JFEE CCN(C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1709924303 BOQOTIKCSPJOJV-JOCHJYFZSA-N 470.643 2.810 30 10 JFEE COCCN(C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC#N)CC1 1712418752 BDYPCEUYDSFWEW-QFIPXVFZSA-N 454.575 2.889 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1722282457 YVOQTHIFUSLJOK-QRWLVFNGSA-N 453.465 2.881 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1722284628 YYMPXJKGHXURCD-UONOGXRCSA-N 467.389 2.609 30 10 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C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870538217 ZYSKPARIQSAQSN-UHFFFAOYSA-N 492.576 2.653 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(Cl)c2)cn1CCNC(C)=O 1870714682 HUDIMSDOFDHFPA-UHFFFAOYSA-N 472.973 2.829 30 10 JFEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CCC(N(C)C)CC1 1870736748 PKFCKXFMKROHNO-UHFFFAOYSA-N 484.597 2.595 30 10 JFEE N#Cc1ccc(NC2=C(c3cc(F)c(F)cc3F)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873246448 YGBBJHIHKYUXNV-UHFFFAOYSA-N 470.451 2.890 30 10 JFEE CCCOc1ccccc1/C=N/Nc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873527272 RXSTZTYMLFBSBT-DGURAOSJSA-N 469.361 2.600 30 10 JFEE COC(=O)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874222023 GNIUQWPZVOAKRD-AFUMVMLFSA-N 498.561 2.999 30 10 JFEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(OC)c2)cc1 1874235666 URSAVDMDGLNMKQ-WYMPLXKRSA-N 471.539 2.733 30 10 JFEE COC(=O)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874293448 CXOYFVSWJIUOSO-SRZZPIQSSA-N 457.468 2.921 30 10 JFEE 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CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284033922 DKAIVGJMWQFVHL-FGTMMUONSA-N 462.327 2.698 30 10 JFEE Cc1nc2c(C)cccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 2296091409 NYPBFGDXBUMCEO-JOCHJYFZSA-N 478.524 2.844 30 10 JFEE COc1ccc(CNC(=O)[C@@H](CCF)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296181611 AYEVCHVMBYQLBS-QGZVFWFLSA-N 466.359 2.864 30 10 JFEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1C[C@H](N)C#Cc1cccc(Br)c1 2296216937 PAQHBDWMBUVYCJ-SJORKVTESA-N 457.390 2.552 30 10 JFEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCN3CCOCC3)CO4)C2=O)c1OC 2322153908 FSHHURTWYXYREM-UHFFFAOYSA-N 452.507 2.804 30 10 JFEE CCOc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1O 2325924628 JMJYZYVJWAXMGA-IBGZPJMESA-N 481.578 2.865 30 10 JFEE COc1ccc(CCc2nnc(SCCCO)n2N=Cc2ccc(O)cc2O)cc1OC 2326217106 ZEXFHJDBKPDJIL-UHFFFAOYSA-N 458.540 2.848 30 10 JFEE CCCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327841478 KWXLTPXSMGBFKE-INIZCTEOSA-N 458.588 2.641 30 10 JFEE CCOc1cc(C=Nn2c(SCCO)nnc2[C@H]2CCCO2)ccc1OCC(=O)N(CC)CC 2331004260 CSPRUXKRWKZMLM-LJQANCHMSA-N 491.614 2.742 30 10 JFEE CC(C)(C)OC(=O)N1CCOC[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345742577 ZLLWOYAATYEDHV-OAHLLOKOSA-N 452.332 2.782 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)n1C 2362564539 SFTLYCJIQMXVFE-HXUWFJFHSA-N 452.408 2.764 30 10 JFEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 9333404 LQZPROLVVUZMDU-UHFFFAOYSA-N 457.552 2.770 30 10 JFEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc(C)cc3C)n2N)cc1 20914067 UJGGYOKHVXUILV-ZMOGYAJESA-N 467.555 2.962 30 10 JFEE COc1ccc(NC(=O)[C@H]2CC(=O)N=C(/N=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)S2)cc1 58823888 KNFROTLUBJLZHE-YVEFUNNKSA-N 480.502 2.663 30 10 JFEE CCOC(=O)/C(=C/c1cc(Cl)c(O)c(OCC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 96792868 SKQZIMZTLPWSHK-OQLLNIDSSA-N 493.921 2.805 30 10 JFEE COc1cc(C=NNC(N)=S)cc(I)c1OC(=O)c1ccccc1 252641363 ZCVWERBJFDNDNE-UHFFFAOYSA-N 455.277 2.686 30 10 JFEE Cc1ncc(I)c(=O)n1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 304577415 RZDQIBNXHUWUID-UHFFFAOYSA-N 452.101 2.504 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(Br)cc4)CC3)cc2C1=O 506449768 BSJBWWTZFHEGPR-UHFFFAOYSA-N 482.334 2.829 30 10 JFEE CCc1cccc2c1OCC[C@H]2NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510352282 APLVOUWPIWYPTL-HXUWFJFHSA-N 454.552 2.660 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 519870702 SBSJTJIQLNRXQI-UHFFFAOYSA-N 460.512 2.836 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 520137281 ZJNMQHIIDKZQLV-UHFFFAOYSA-N 490.538 2.844 30 10 JFEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(C)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)n1 526696176 QFUYPYQIONHGTO-UHFFFAOYSA-N 458.547 2.566 30 10 JFEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl 585088882 FTZQWSDJFUIJMP-IBGZPJMESA-N 488.373 2.678 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 745058366 GXPADJDCSONGGX-UHFFFAOYSA-N 463.487 2.583 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](OCC)[C@H](C(=O)O)C1 757429347 YXSGMZQXAUUHRJ-NHTMILBNSA-N 476.529 2.865 30 10 JFEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 1083966878 KEAGNZUKRHRSIU-UHFFFAOYSA-N 477.506 2.756 30 10 JFEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccc(N)cc3)n2)c1OC 1084325543 WMIFUIWQHWVEFZ-UHFFFAOYSA-N 455.544 2.649 30 10 JFEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)ccc1O 1084390081 GUXRICFULXZIBG-UHFFFAOYSA-N 461.935 2.926 30 10 JFEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2N)c1 1084540891 IOZVGBPBAPUCSR-UHFFFAOYSA-N 461.935 2.845 30 10 JFEE C#C[C@@H]1COCCN1C(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1251824496 MHHCQIGRORCUEN-OAQYLSRUSA-N 456.587 2.590 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCC)c1 1286308932 FPUVZJNEBHCKIJ-UHFFFAOYSA-N 470.537 2.577 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1286390320 AGBWVYMFJHJRAB-GBXCKJPGSA-N 488.679 2.984 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286396451 PTRQCUGARROEKH-YADHBBJMSA-N 485.654 2.524 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1286401288 KETKJTRQHMUGAE-FQEVSTJZSA-N 467.639 2.932 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1nc(C)cc1C 1286425938 CZMQMYLVBZOHRY-UHFFFAOYSA-N 468.565 2.559 30 10 JFEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286457025 DBOKRENZVIMAJO-GLDPYIMESA-N 458.534 2.981 30 10 JFEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(OC)CCOC2)CC1 1286483366 IEQMKABKCJATRC-VWLOTQADSA-N 488.032 2.812 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1286523883 FNLCCILZFYXNIA-JOCHJYFZSA-N 494.086 2.893 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc(CCOC)no1 1286561544 ODNHIFMBOIZUHF-LAUBAEHRSA-N 453.547 2.838 30 10 JFEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1286683120 JPFMDMXFXNKHBY-KRWDZBQOSA-N 451.568 2.995 30 10 JFEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286707543 GSDRAPKZLSWBAZ-OAHLLOKOSA-N 479.354 2.653 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1286745009 AHYQDBZWMWMXNM-IBGZPJMESA-N 459.616 2.535 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286778639 CKQZZIPFWCJQRZ-MZYLBHOOSA-N 466.630 2.669 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CN2CCCCCC2)CC1 1286788698 CNVWUQGRZLLXKC-UHFFFAOYSA-N 451.619 2.659 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1286801232 APSRVLDHZFHDKZ-VQTJNVASSA-N 476.503 2.861 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1286816466 LMLRFKOIGLPFPR-UHFFFAOYSA-N 478.018 2.791 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286821933 AKSGWRNIIVQKJC-QGZVFWFLSA-N 452.588 2.647 30 10 JFEE CC(C)c1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cs1 1287169399 BQRJXHMUVQKWIX-UHFFFAOYSA-N 486.623 2.786 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)F)cc1C 1289732375 DMESSSGVVSNESU-UHFFFAOYSA-N 459.501 2.659 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(CCC(C)C)CC2)n1 1290645590 BKYURGTYOXCQMQ-JOCHJYFZSA-N 454.623 2.627 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1297934179 AFZQZYGJSYEIPC-IBGZPJMESA-N 488.614 2.697 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1300363623 FOQOALKIHPVVCF-SFHVURJKSA-N 487.582 2.940 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300485375 VQHKRFOKNOHYKF-GOSISDBHSA-N 460.600 2.680 30 10 JFEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300495068 CJAURVPIGFJLGZ-OALUTQOASA-N 491.658 2.819 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1300503144 ATRHIMMSUGFVBB-RTWAWAEBSA-N 472.611 2.527 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300504658 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1301178985 WNOWCTQSVJVWMJ-UHFFFAOYSA-N 454.575 2.884 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCCO1 1301349323 IZFLECNCAHUZTI-HRAATJIYSA-N 451.568 2.789 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1301383131 GBWHHDPEAKAJJP-SFHVURJKSA-N 450.543 2.659 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301491081 DCAFKWRSKYEBRG-UHFFFAOYSA-N 455.563 2.786 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301520862 RGEIALRKDXASID-WAOWUJCRSA-N 471.606 2.649 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C1 1301538147 FVAPIFGXCVIGBA-AEFFLSMTSA-N 465.645 2.748 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301576383 DADUFZAUZFZMDY-SFHVURJKSA-N 482.006 2.914 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC(C)C)C(C)C 1301586009 PIQVVHSTIJFVHD-UHFFFAOYSA-N 472.615 2.664 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(c3nc4cc(C)ccc4o3)CC2)nnc1C(C)(C)C 1301596188 KBQNPXVXYDBBEQ-UHFFFAOYSA-N 472.615 2.953 30 10 JFEE C#CCOCCN(C)C(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1306014835 KDXMPPYOQFSMKK-UHFFFAOYSA-N 457.483 2.602 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)C1 1314006210 IFKMYSWSOKZTAT-NQIIRXRSSA-N 460.629 2.620 30 10 JFEE Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)N3CCOC[C@@H]3C#N)cc2)cc1C 1353421742 HABYCPJCKNGGCR-ICSRJNTNSA-N 457.552 2.647 30 10 JFEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358923613 VDNRHVUDVRDKSC-CHWSQXEVSA-N 453.362 2.543 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964586 BSVGSRHSJFELTP-IFMALSPDSA-N 487.645 2.757 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358967603 NUXGBYHGUXCTMI-VQTJNVASSA-N 460.625 2.690 30 10 JFEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358996721 PCPVDLWFPFOEKM-JOCHJYFZSA-N 489.542 2.798 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)c1ccccc1 1358998891 WOAIUCCZTHZOHX-FGZHOGPDSA-N 483.638 2.638 30 10 JFEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1359026875 NIVZYKDYAAORSN-LJQANCHMSA-N 462.641 2.790 30 10 JFEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1359026956 QBKVHVCVRCBQEQ-JOCHJYFZSA-N 453.587 2.818 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1359054918 MNBLQPFWVKGQOZ-UHFFFAOYSA-N 452.584 2.657 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)(C)C)CC1 1359099620 QRGGOFKHWLZGPS-NSHGMRRFSA-N 466.648 2.945 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359141723 QBKUTLBRQKPGCK-DNVCBOLYSA-N 479.412 2.771 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1359325452 FWRKMRYWKIERBO-KSZLIROESA-N 459.513 2.564 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1359326692 HZAQJPJSDLSJDV-SFHVURJKSA-N 480.679 2.993 30 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475.684 2.678 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539232698 MPSJPFYVBIHJMI-ICSRJNTNSA-N 470.618 2.915 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(OC)CCOC1 1539392067 LAXMMGNSJDFPRE-XMMPIXPASA-N 452.534 2.724 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539416827 SWUIROKMLNFSTH-MZKRTTBSSA-N 483.613 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCC2(F)F)CC1 1539466875 IUPULCHRUMIBDA-GOSISDBHSA-N 478.588 2.988 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(Cl)cc2)CC1 1539469289 QXQSXZNPDINYNY-VWLOTQADSA-N 486.016 2.792 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cc(Br)ccc2F)CC1 1539490642 YAUWFCOXMXKYLG-UHFFFAOYSA-N 492.393 2.925 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)N1CCN(CC)CC1 1539569772 UQSOIDNJIOHCLZ-HFZDXXHNSA-N 466.630 2.884 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C 1539580158 HBWNTKUZJWFSEP-INIZCTEOSA-N 492.403 2.727 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCN(CC)S(C)(=O)=O)CC1 1539830328 SDUYWURQTCPHFV-UHFFFAOYSA-N 495.049 2.690 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C)c1ccccc1 1539949530 YWKATQFVLBMOQS-NRSPTQNISA-N 459.616 2.960 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540875088 BBRCJLCTVJWIBT-MOPGFXCFSA-N 496.395 2.850 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1540917088 NJJVFFOMRGREOR-FQEVSTJZSA-N 486.667 2.688 30 10 JFEE Cc1nnsc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1542117865 BKPVQBKYWFNRIT-MRXNPFEDSA-N 465.461 2.705 30 10 JFEE Cc1c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)nnn1-c1ccccc1Br 1544774294 ACSBHFKSFRXUQM-HNNXBMFYSA-N 453.300 2.898 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 1546261144 UHWSXQBGQPAWAC-HXUWFJFHSA-N 457.571 2.652 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1548325508 FPSMACWHROPFEU-LJQANCHMSA-N 454.959 2.712 30 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JFEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCSC1 1595292169 UOTQDGOGJOCLOX-MRXNPFEDSA-N 450.634 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1595805654 ROGCGLHRGMGWDW-FQEVSTJZSA-N 464.035 2.798 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(F)(F)CC1 1595823520 OTDBMXPWODBSCE-UHFFFAOYSA-N 456.515 2.702 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2)CC1 1595823568 PFYUWHSLSRHLQV-UHFFFAOYSA-N 498.653 2.784 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1596530557 CIJJELJVKNOWML-WHUARKNTSA-N 456.616 2.716 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)OC(C)(C)C 1611307265 ASULQYWYVSXSCP-QGZVFWFLSA-N 469.594 2.715 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCO[C@@H](C(C)C)C3)nnc12 1611342280 VJSOSQFCGSMWBR-QFBILLFUSA-N 455.584 2.890 30 10 JFEE COCCCn1c(O)c(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)c(C)c(C#N)c1=O 1614800390 CFFLLIXBTSTTEC-WOJGMQOQSA-N 483.571 2.855 30 10 JFEE 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455.559 2.736 30 10 JFEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690632834 SSUGEUAUJMIRFL-GOSISDBHSA-N 453.547 2.562 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](c2ccccc2)C1 1690662169 SZGUHXCYXZUNJI-IBGZPJMESA-N 485.386 2.926 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1690666892 JOBASYVNOZWALC-UHFFFAOYSA-N 466.517 2.687 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(C)COCCO2)C1 1690687711 HVYZBTOEKSAQES-MHECFPHRSA-N 474.558 2.558 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1690699943 LOQUNVUSOWIGOZ-UXHICEINSA-N 457.550 2.831 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C#N)CC1 1690723763 AKBYPOXWGSPQGW-UHFFFAOYSA-N 492.646 2.733 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1690736969 VDKQYWDEXOHUFQ-UHFFFAOYSA-N 477.656 2.572 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690752233 BNZVPBMRDQFPCH-HXUWFJFHSA-N 462.664 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C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@](C)(O)c1cc(C)oc1C 1748956940 OUISVAYRJMAGRP-XMMPIXPASA-N 452.511 2.877 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1749078962 VQVNKJVPACIKQF-JOCHJYFZSA-N 455.950 2.677 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1749364471 RUAWDEOIUAMLAP-UHFFFAOYSA-N 451.575 2.965 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1CC 1749667381 ZSMFTZIFFIRJAD-FXAWDEMLSA-N 463.586 2.992 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3cccs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749682547 VDPWYVZHZYEIEU-DEOSSOPVSA-N 487.626 2.782 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1749740153 RCOIAGIMTRBKEJ-NRFANRHFSA-N 472.567 2.937 30 10 JFEE CC(C)Oc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 1751030165 FJWZDMYKMNVBIT-OAQYLSRUSA-N 496.593 2.583 30 10 JFEE Cc1ncsc1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1751345040 DXNUSIIYYJHSES-HNNXBMFYSA-N 473.628 2.799 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760192271 SHOGSMBJJBDTHN-OALUTQOASA-N 462.641 2.852 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1760207136 YHFAPTCXCZGYNF-GHTZIAJQSA-N 465.602 2.858 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1760257150 PWSVBKBJIOJAAC-NOZRDPDXSA-N 463.674 2.601 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2OCCOC)CC1 1760264786 FKRNFRGQZSAYIT-UHFFFAOYSA-N 453.587 2.615 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOC2CCCCCC2)CC1 1760265306 WPCLYCPLRWFDLD-UHFFFAOYSA-N 493.612 2.631 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCc2ccco2)CC1 1760267086 CZPOTEFLEPYSET-UHFFFAOYSA-N 498.946 2.613 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1760279554 BRGXLMUPHXMWIO-JOCHJYFZSA-N 466.655 2.944 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1760416434 CWXYTQDPTSIDNY-SFTDATJTSA-N 471.627 2.887 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1760440225 DZMNBIFHLADZSY-RTBURBONSA-N 472.594 2.986 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760535314 ONALPKJNRZLFMU-SFHVURJKSA-N 465.533 2.960 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)C1 1760660753 FENCSOLUJJIZSI-WIYYLYMNSA-N 465.602 2.564 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)O 1763043519 FBQUFLQCWLYTOO-CQSZACIVSA-N 470.940 2.885 30 10 JFEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1765741192 GOBIXMQYDNYNPB-QHCPKHFHSA-N 462.602 2.959 30 10 JFEE CCOC1CC(O)(Cn2c(COc3ccccc3OC)nnc2N2CCC(CC#N)CC2)C1 1766159695 IBSZWLJXKJRVPM-UHFFFAOYSA-N 455.559 2.926 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C2CCCCC2)C1 1767897472 GLLYOKACTATRQD-LJQANCHMSA-N 450.543 2.607 30 10 JFEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1768970640 BOVBKDRSFWDNSW-HXUWFJFHSA-N 494.518 2.869 30 10 JFEE CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1769045367 BBYBSGIWGMUTHP-PZJWPPBQSA-N 452.559 2.636 30 10 JFEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1772543301 JMVZEXXQBHUUBF-UHFFFAOYSA-N 454.575 2.570 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1772567202 NRPUFCZPGUYLDW-VQTJNVASSA-N 490.649 2.946 30 10 JFEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1ccc(F)cc1F 1862415464 XXHPXKCSLYXAAX-FQEVSTJZSA-N 472.444 2.574 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc3c(c2)CCCN3C)cc1OC 1862578051 WDIYDHFYQVJFNO-JOCHJYFZSA-N 452.507 2.657 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 1862746899 KNZKSWNPAXJVHX-NRFANRHFSA-N 467.478 2.601 30 10 JFEE CSCC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(C#N)cc1 1866627087 IVOSJBRNCVVACN-OAQYLSRUSA-N 486.619 2.978 30 10 JFEE CCOC(=O)[C@@H]1CCCN(C(=O)C(C)(C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C1 1868774796 QZGDMNTWOLVSAX-MOPGFXCFSA-N 474.627 2.721 30 10 JFEE CC(C)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868784423 WRGFDWDUUCAPCZ-UNMCSNQZSA-N 459.660 2.718 30 10 JFEE CCN(CC)CCn1cc(OCC(N)=O)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870185255 QXSQFEPPUXDIJC-UHFFFAOYSA-N 457.600 2.538 30 10 JFEE C#CCOc1cn(CCOCCO)c(CSc2nc3ccc(OC(F)F)cc3[nH]2)cc1=O 1870300731 RVIUEITZDHEBMJ-UHFFFAOYSA-N 465.478 2.639 30 10 JFEE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1Cc1ccco1 1870324369 ILTVSTOXVSRCQZ-UHFFFAOYSA-N 496.589 2.743 30 10 JFEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870423350 SESYBTOTUPMXDW-UHFFFAOYSA-N 484.553 2.843 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1Cc1ccc(O)cc1 1870572804 VSYCUZKBPSAFFP-UHFFFAOYSA-N 481.578 2.954 30 10 JFEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870713687 MDXXKJCRNBUCHE-UHFFFAOYSA-N 494.983 2.817 30 10 JFEE O=c1c(Br)c(N/N=C/c2ccc(Br)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 1873527365 VXKZWNYMRFOXHX-CIPPFVMLSA-N 490.177 2.574 30 10 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30 10 JFEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2)[C@@H]2CS(=O)(=O)C[C@H]21 2174813050 RHAATNHUIVGMET-HZPDHXFCSA-N 456.362 2.543 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255637758 FROCBLMKGJODKL-CQSZACIVSA-N 451.398 2.819 30 10 JFEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255820979 XIUUIERQDSIJIR-INIZCTEOSA-N 488.781 2.514 30 10 JFEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255839610 XXCFXVSIDSSWHY-DZGCQCFKSA-N 451.398 2.818 30 10 JFEE COC(=O)[C@H]1C[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CN1C(=O)OCc1ccccc1 2265861587 ATRMILQFTHPPRU-VQTJNVASSA-N 482.342 2.712 30 10 JFEE C=CCCC1(C(=O)NCc2c(I)cnn2C)CN(C(=O)OC(C)(C)C)C1 2266315198 LKTOJECJPAJORE-UHFFFAOYSA-N 474.343 2.844 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(Cc3ccccc3)[C@@]3(CCOC3)C2)C1 2266527412 MGWAUIMBTZSLKB-MDNIAVDXSA-N 453.583 2.843 30 10 JFEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2267103866 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481.601 2.645 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCc2sccc2C1 1705590517 NHEPDHISINXZHY-VWLOTQADSA-N 467.639 2.901 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1N1CCOCC1 1705618324 BTOIHYUXCBRNIZ-GMAHTHKFSA-N 453.587 2.655 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1705679334 JVDSFHBDVDTNBL-HZPDHXFCSA-N 469.428 2.846 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccco2)CC1 1705696190 FKGJERZSCIJRGY-DYXWJJEUSA-N 473.574 2.539 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705703971 QCRJFRGRFDKDCT-PXNSSMCTSA-N 455.563 2.773 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705749557 AVDRXYKIWRWHKL-JOCHJYFZSA-N 470.021 2.800 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705792651 XKVXUDKFDQCORC-RTWAWAEBSA-N 458.651 2.907 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(N(C)C)CCOCC2)C1 1705921588 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C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(=O)NC 1286530532 AVTDUGDUAYKIKS-UHFFFAOYSA-N 460.174 2.527 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286548575 TXZGVIXNBVEQBM-QUCCMNQESA-N 496.616 2.537 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1286573281 IKFRIDNYOQCUMR-UHFFFAOYSA-N 453.616 2.643 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1286607855 WBCBWSVHVIKIEC-IBGZPJMESA-N 453.591 2.803 30 10 JFEE C=C(C)COCCn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1286614718 WVFFLQGGKGIGRW-NFBKMPQASA-N 459.595 2.573 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ncc(C)s2)CC1 1286662999 DDOVKHHHQPSXFT-YJBOKZPZSA-N 480.660 2.582 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286673138 VAIOTMHENFJWIP-ROUUACIJSA-N 497.662 2.512 30 10 JFEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286676327 JKNIMNWWLQWRDQ-SFHVURJKSA-N 468.627 2.628 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286711582 PZBXCYCTWXZVMD-UHFFFAOYSA-N 465.533 2.866 30 10 JFEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286769711 NBZVNRLMHLKIMC-UHFFFAOYSA-N 455.531 2.983 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCC[C@H]1C 1286772426 DEMHTSSWPGQOMW-DVECYGJZSA-N 455.607 2.642 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(CN(C)C)c1 1287474516 BOANTYUXFGXPMB-HXUWFJFHSA-N 473.629 2.963 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1300304440 OJCBYGJSDLVKLI-SFHVURJKSA-N 463.586 2.685 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300411477 KCICIOWNLQGDQU-QGZVFWFLSA-N 462.508 2.937 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1300479279 KTGSDPBAPXURIT-MRXNPFEDSA-N 452.527 2.852 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1300488809 GXIDJWHYGGEQOC-IBGZPJMESA-N 485.635 2.896 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nc(C(F)(F)F)cs1 1300527409 HPBVOROEAOBMQY-UHFFFAOYSA-N 483.479 2.788 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300583028 BBQQHKTWTVRPIW-JOCHJYFZSA-N 472.572 2.972 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(C(C)=O)CC1 1300597717 RFKUXBFGKCNCDL-UHFFFAOYSA-N 456.978 2.580 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccc(F)cn2)CC1 1300730572 AXXSBDMONICSAA-UHFFFAOYSA-N 492.555 2.804 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1300733061 RGAUFYZSWKDJRF-PWRODBHTSA-N 457.619 2.937 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300745123 FZKLTUPEARVSNS-UHFFFAOYSA-N 486.038 2.870 30 10 JFEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300751142 GZHFRIBZKUKWAC-GOSISDBHSA-N 455.609 2.873 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1300820708 FKXRBJLCRGFCDS-HIFRSBDPSA-N 483.411 2.772 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1300863827 UPTPBBHABARXHT-UFYCRDLUSA-N 488.633 2.941 30 10 JFEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1300881825 CEDOCACQNBWFTH-UGKGYDQZSA-N 466.586 2.707 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1300885058 NTKWKPLNYSNTAK-UFGBVDADSA-N 489.642 2.998 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1300952147 NUGINAXOSNXVPS-CTNGQTDRSA-N 491.614 2.546 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1300991969 YPGKHHBRJZVPAA-CVDCTZTESA-N 495.045 2.610 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCN2CCOCC2)CC1 1301087088 UJUGSXDWPPHMAS-NRFANRHFSA-N 490.649 2.855 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCN(CC)C2)C1 1301535405 KWJPIZLAKSCALU-TZIWHRDSSA-N 473.021 2.985 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)C1 1301659443 DGVCLGALHVFDPL-NXQMDHLFSA-N 466.586 2.584 30 10 JFEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)(C)C)C[C@H]2C)CC1 1301767791 RKMQHGNPLPUSJN-AUSIDOKSSA-N 479.629 2.621 30 10 JFEE CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1302014394 BKNALBSOZPIJHN-HXUWFJFHSA-N 475.601 2.877 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c2)C1 1303556374 FQGVYRYYTHJCKX-OAQYLSRUSA-N 455.580 2.886 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 1303627291 HRTNHSPMBZBSQD-QGZVFWFLSA-N 474.009 2.711 30 10 JFEE C[C@](O)(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1)C(F)(F)F 1303876249 DTAIWNOHOBNCQW-FQEVSTJZSA-N 497.543 2.924 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCNC(=O)Cc2cccc(F)c2)C1 1303939330 CZYADLHUAXRHRK-RUZDIDTESA-N 461.545 2.892 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1303939423 FDAQPUWJDLGZNP-GCJKJVERSA-N 477.034 2.934 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1358885266 GIGAVYGQRVNFFH-LEWJYISDSA-N 490.656 2.549 30 10 JFEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1358910297 KKGKDTUBOHIPIM-UHFFFAOYSA-N 490.612 2.579 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358956556 HRVHYOIUIFIHOK-QUCCMNQESA-N 499.593 2.788 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358967683 PZSSISCOQCCFOP-RTBURBONSA-N 458.559 2.979 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1CCC 1359002634 HNMSCQITSYWCSE-NRFANRHFSA-N 472.659 2.919 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1c(C)noc1C 1359018039 AXCSYSWSMZITOL-UHFFFAOYSA-N 456.934 2.601 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccccc2N2CCOCC2)n1 1359027688 SBLJKTHOJQCYPT-UHFFFAOYSA-N 491.640 2.943 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NC2CCCCC2)CC1 1359042902 YHBSFDWCZPHREB-UHFFFAOYSA-N 476.625 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2COCCO2)CC1 1359046966 MECPXGOKMMXGAL-QFIPXVFZSA-N 495.624 2.670 30 10 JFEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1359056754 KRZDMFNPOBNDEE-IBGZPJMESA-N 457.575 2.640 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(CCO)Cc1ccccc1 1359076369 ACNGXWKYSDBJOZ-UHFFFAOYSA-N 457.332 2.833 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1359107487 NQFRJRWDYJHGCY-KRWDZBQOSA-N 451.568 2.995 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359128884 ISRQCLCKACAVHW-KNQAVFIVSA-N 470.618 2.818 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359130736 UQUJPUSNIPFXBK-LJQANCHMSA-N 479.585 2.944 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359184672 WKWMKASSPFIFSH-UHFFFAOYSA-N 455.563 2.666 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1359221516 FBVQJFFHDNXZFV-GOSISDBHSA-N 458.538 2.689 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359293896 CRYXHHBQOXAESJ-IBGZPJMESA-N 490.612 2.769 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359294499 VHGZJVDNTVBIEE-BGYRXZFFSA-N 482.629 2.582 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nnc3nc[nH]n23)c1 1468617699 SCYUMKSTMOLGNZ-UHFFFAOYSA-N 457.903 2.739 30 10 JFEE N#Cc1cc(S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)ccc1C(F)(F)F 1474803932 HLHVXGZPAWDTMO-UHFFFAOYSA-N 452.502 2.673 30 10 JFEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1493168302 CRTBESZSWPZWPQ-FXAWDEMLSA-N 479.585 2.883 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CSCCS2)cc1OC 1502816003 CMBGXUXKFRDDCL-DLBZAZTESA-N 461.613 2.930 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCCN2CCOCC2)c1 1507549606 IZPBTOCYARECHS-UHFFFAOYSA-N 473.581 2.509 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507628240 HKFBBHNRKZBPGA-GOSISDBHSA-N 460.575 2.918 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C(C)C)N1CCOCC1 1507641487 ACBSJUZLFXZIKZ-UNMCSNQZSA-N 453.562 2.987 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1507658096 BLJNNSQLMOZPBP-AREMUKBSSA-N 458.566 2.621 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncccc1C 1507673668 YQBXSEWIRYPQNU-UHFFFAOYSA-N 467.621 2.857 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCO[C@H](C)C2)n1 1507715812 DAYIMQKZCSKORP-UXHICEINSA-N 451.575 2.581 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)N2CCOCC2)CC1 1507722002 WOLTWRWXEUSWEF-UHFFFAOYSA-N 496.656 2.607 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1507842089 CFSYBUUEQMNGBX-HXUWFJFHSA-N 468.537 2.811 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507858058 BENKLVQPCBYHNL-OAHLLOKOSA-N 457.387 2.750 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1507925149 ZVCCMKJZYVQNFF-AABGKKOBSA-N 457.600 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1c(C)noc1C 1508137016 XROMLJYVDSAWIZ-UHFFFAOYSA-N 460.516 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1508145189 KCIWRPSKONQSLN-LJQANCHMSA-N 476.006 2.556 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)CC)CC1 1514419884 BGWCJNIJSCWJRX-UHFFFAOYSA-N 465.602 2.770 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1CCN(C(=O)OC)CC1 1520682563 BIHMVSLKIBHIEM-UHFFFAOYSA-N 454.321 2.693 30 10 JFEE C=CC[C@@]1(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 1528591712 HKVOLORBAHVSDO-QFIPXVFZSA-N 452.573 2.931 30 10 JFEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)nnc1-c1ccco1 1536160208 JRRVQZXVTIYPSA-CYBMUJFWSA-N 457.478 2.876 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539203999 XIFOLYXXIVUPAM-CRAIPNDOSA-N 489.598 2.997 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539211804 KZKPCXXGBBKIOK-FQEVSTJZSA-N 472.611 2.787 30 10 JFEE 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C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507838024 ZAVSGQIAXQOJFO-ROUUACIJSA-N 458.538 2.706 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507945488 HHOQSYLGVSEHFV-IBGZPJMESA-N 463.586 2.946 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)F)CC1 1508074679 RLHGHYKKOJOEQW-UHFFFAOYSA-N 460.863 2.724 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCc2sccc2C1 1508074735 SUUFYYZVPZJELR-UHFFFAOYSA-N 469.567 2.897 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCn2cc(Br)cn2)C1 1508127665 YPYLIQITZYXXML-DLBZAZTESA-N 451.369 2.960 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(S(C)(=O)=O)CC2)C1 1508129873 FVDZOADXHLJRQR-LJQANCHMSA-N 460.600 2.832 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1508138977 BKXULJFBDGGWFI-INIZCTEOSA-N 456.572 2.677 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508139805 JNSSBLJVAKJKBW-GOSISDBHSA-N 484.626 2.770 30 10 JFEE 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2.566 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2ccncc2)c1 1539038912 WLWLUBIRIGRHIW-UHFFFAOYSA-N 480.532 2.619 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(F)cccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539203559 SAAUOZNBDQAGJA-SFHVURJKSA-N 473.618 2.990 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCOCC1 1539340815 SBKSTCWXBMGYJA-OAQYLSRUSA-N 473.021 2.678 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(-c2ccccc2)n1 1539344247 YPZCOVVCOWADMC-MRXNPFEDSA-N 458.613 2.714 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCO[C@@H](C)C1 1539371196 QGOVSZACTNCASW-SFTDATJTSA-N 490.649 2.547 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N1CCOCC1 1539400012 XPAFUKQFJXEYKL-KRWDZBQOSA-N 462.392 2.514 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1539481781 FGQYEWSKSXHCRJ-DHIUTWEWSA-N 492.668 2.642 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1539482980 QLPTVFQTBMEAEO-UHFFFAOYSA-N 456.978 2.797 30 10 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30 10 JFEE CCc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(N)=O)C2)cc1 1548367615 ZXICBDVAMYMYSQ-LJQANCHMSA-N 466.485 2.504 30 10 JFEE CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)cn1 1552836181 FGMOMQIZXYMQAE-UHFFFAOYSA-N 457.542 2.571 30 10 JFEE C=CCn1c(SCC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)nnc1-c1ccc(Cl)cc1 1557081266 BSFYEMTWWUOEJN-HOTGVXAUSA-N 450.008 2.790 30 10 JFEE COc1ccc(CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C(C)(C)C)c(OC)c1 1559637939 HFNGHABXICTEME-UHFFFAOYSA-N 455.559 2.821 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCN2CCOCC2(C)C)c1 1587684562 YZJPAFDRIAWTOE-IBGZPJMESA-N 452.603 2.959 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1587990438 XINIDEVYNQCFRF-DVECYGJZSA-N 473.574 2.773 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588012042 SZEYERMBSARMPH-UHFFFAOYSA-N 460.485 2.958 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588034232 BSUPTPKIWIFHAK-RBUKOAKNSA-N 491.411 2.679 30 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C 1589514958 KGDXUYYMHTYJRJ-AVRDEDQJSA-N 455.559 2.658 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(-c3ccccc3)c2)CC1 1594192120 DPKIKANWDMEUPL-QGZVFWFLSA-N 455.588 2.525 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccc(F)cc1 1594943830 YQJOIXAIFGGUHG-JOCHJYFZSA-N 458.563 2.907 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H](C)C1 1595142643 TXDSOQMLZQQOFS-IKGGRYGDSA-N 453.634 2.958 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1595307613 GJLPHPZJEGIEBW-KRWDZBQOSA-N 472.594 2.575 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1595501566 YBJSWHZVHOUKEE-ZDUSSCGKSA-N 497.419 2.786 30 10 JFEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)NCCCC)CC1 1595529904 LZULFIDANBOTNZ-UHFFFAOYSA-N 477.613 2.872 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1595759612 GQVFUDSXTZWHKU-OAQYLSRUSA-N 459.616 2.526 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1617249577 FTSVDZUIQURVPR-UHFFFAOYSA-N 469.571 2.545 30 10 JFEE C=CC1CCN(C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)CC1 1627942001 NEBWEPJAQJTKQN-OAHLLOKOSA-N 457.390 2.945 30 10 JFEE C=C(C)CN1CCC(NC(=O)NC[C@@H](CO)Cc2ccc(OC)c(Br)c2)CC1 1631213329 DTIZXNTYSSUMBT-KRWDZBQOSA-N 454.409 2.948 30 10 JFEE C#CC[C@@]1(C(=O)Nc2ccc3c(c2)nc(C)n3C(CO)CO)CCCN1C(=O)OC(C)(C)C 1640684892 DFSQXCCVAWYIOK-DEOSSOPVSA-N 456.543 2.602 30 10 JFEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 1642711510 CTJDCPDGGLKEQO-RQUSPXKASA-N 451.907 2.664 30 10 JFEE Cc1ccccc1CN1CCC(NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1654407324 HPEADUYRGDROPL-QFIPXVFZSA-N 455.603 2.521 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 1659533747 CJNCHSSCWSJVGT-UHFFFAOYSA-N 455.437 2.778 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1671874223 CKBLTEOMQGWFMB-CTWPCTMYSA-N 459.547 2.578 30 10 JFEE 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488.639 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705935736 CEAYJZYAZJHDKY-DLBZAZTESA-N 465.645 2.786 30 10 JFEE CC(C)C[C@@H](Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1706369247 COKQHIZRHKNKKI-QUCCMNQESA-N 451.623 2.584 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1710375027 BOWAKANLVUANHZ-OFNKIYASSA-N 494.644 2.558 30 10 JFEE CN(C)CCN1CCC(Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1711012698 DJDIUTNVLRBXEO-UHFFFAOYSA-N 459.602 2.517 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCc2sccc2C1 1722355232 RIQDNIQOQUBBNZ-IBGZPJMESA-N 486.642 2.776 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722362108 SEAXUEJZWWPVLX-QGZVFWFLSA-N 475.521 2.744 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1722371446 WOOILUMIMQKOSC-FGTMMUONSA-N 464.538 2.761 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1722376473 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1740626791 WIBZTAGIPAHVSN-IBGZPJMESA-N 460.575 2.594 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1740672038 VNBODULNRQKRHA-GOSISDBHSA-N 470.517 2.767 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccc(Br)n1 1740683560 AKEWHAWTVRLTIS-UHFFFAOYSA-N 494.353 2.886 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccsc2)CC1 1740707535 GGTRVVUBMAMHSG-UHFFFAOYSA-N 465.579 2.941 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740722800 KEAQWQKXLUAVGG-BRSBDYLESA-N 456.678 2.821 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1740773952 IBHLSQGQYQLWOB-HXUWFJFHSA-N 486.598 2.717 30 10 JFEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740780107 VOIYDHDRSLUOOC-AWEZNQCLSA-N 471.363 2.816 30 10 JFEE C=CCCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740866414 CWLUPPUETCKTMD-YADHBBJMSA-N 452.621 2.690 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1740868854 URDJWOVWWBTGFP-RDTXWAMCSA-N 455.531 2.711 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740870899 MANIQQMEFCHXHC-IAGOWNOFSA-N 482.676 2.771 30 10 JFEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740887981 NWFNSBUVFPTLFB-LPHOPBHVSA-N 495.502 2.888 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1740927534 VHONLSIRQPQKQA-JOCHJYFZSA-N 468.627 2.750 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740932089 GXPKZWNQODPEHD-PKTZIBPZSA-N 485.654 2.650 30 10 JFEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740945511 UDTWCLFDSVIPLB-WOJBJXKFSA-N 452.603 2.957 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1741006556 MDLXAYFQCCDGFT-HXUWFJFHSA-N 456.616 2.810 30 10 JFEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1748293146 AWMVFTCTJDVEQB-HXUWFJFHSA-N 499.685 2.847 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1748657583 FLGGTKVKSXVGKJ-OAHLLOKOSA-N 489.623 2.769 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2CCN(C(C)=O)CC2)c1 1748695196 ZQAULXCHWFKQJP-UHFFFAOYSA-N 485.592 2.579 30 10 JFEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1748760287 YWSALUFVOFQKFC-UHFFFAOYSA-N 485.548 2.684 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1748805295 PYAGDNXTTSIZDZ-XIRDDKMYSA-N 498.422 2.811 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1748812044 OZUYRPZZYRVZPH-NRFANRHFSA-N 453.543 2.657 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748824095 IUBJESANDXOMSA-AZUAARDMSA-N 458.559 2.979 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCC=C 1748892650 UNNAJLDGBBVVJD-IBGZPJMESA-N 459.616 2.969 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2ccnn2)CC1 1749006648 WJUIPDHQZCYRLA-UHFFFAOYSA-N 487.395 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1749008872 CRTSEIIOSXNJQR-AZUAARDMSA-N 469.561 2.745 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCc3sccc3C2)CC1 1749015628 ZNYWUSMKNOPBHD-UHFFFAOYSA-N 468.671 2.952 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1749125446 VFIIPOBCDBBKBU-MNEFBYGVSA-N 490.402 2.640 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1749133717 PFTRCAZJSAPBID-OZXSUGGESA-N 495.672 2.626 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1749140964 WBUAKIMRDBCHAU-BSRJHKFKSA-N 455.559 2.514 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1749159053 NXNIUTYYULVDRO-HXUWFJFHSA-N 465.595 2.785 30 10 JFEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749275448 BNHFKPPWLYQFDK-GCJKJVERSA-N 473.021 2.641 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1749409292 UDFIJAGOYMMAHU-UHFFFAOYSA-N 477.573 2.797 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1749532675 VKVBFWVFIGMWSN-MQFAKOPTSA-N 489.667 2.792 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(N)=O)c1 1749550863 KFQKBISIYHDEPR-LJQANCHMSA-N 450.568 2.825 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC 1749551404 ZHASPGNBFNWAGH-UHFFFAOYSA-N 463.567 2.582 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCS1(=O)=O 1749594802 TZNUTAWLBHKWAA-UHFFFAOYSA-N 498.447 2.690 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(CCCCC2)O1 1749600394 XNCTXASFWWBMBK-MOPGFXCFSA-N 452.621 2.701 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(N3CCCCC3)c2)C1 1749694689 VAEZTQZUAZWARF-FQEVSTJZSA-N 453.591 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749727357 SXVJJSUEOLPMHR-HXUWFJFHSA-N 491.017 2.610 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1749736870 QZXBIVLWFBDDBL-FCHUYYIVSA-N 486.686 2.956 30 10 JFEE Cc1ccc(SCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1751592587 HIQYFSHMGPWBDJ-FCHUYYIVSA-N 475.640 2.559 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1760111227 LBCJYPIMXNSTSN-QGZVFWFLSA-N 461.570 2.582 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760157382 NPTPZOUPIREBQE-HSZRJFAPSA-N 477.657 2.551 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760181431 VNWBXSHBPZJQLW-OALUTQOASA-N 490.601 2.879 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760188707 CCURAQCKZYBQSQ-UNMCSNQZSA-N 457.644 2.534 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760193059 SCHRZQMFUMETPA-DHIUTWEWSA-N 499.681 2.921 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1760196118 KXZFNYULUGZZGB-YADARESESA-N 459.591 2.552 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760206084 QQXWKRNDUSLYOA-YLJYHZDGSA-N 459.472 2.748 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760213397 APJPYZWYAFWVDW-UHFFFAOYSA-N 478.604 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1760218883 PEXCACKRHGOTIT-BJKOFHAPSA-N 479.650 2.789 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCC[C@@H]1C 1760238156 KSPMHZFRLHKNSP-BKMJKUGQSA-N 450.631 2.653 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760272473 LLTYTMGIJAWUGE-UHFFFAOYSA-N 476.488 2.527 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1760273070 HNABMUWVYJHQJQ-QGZVFWFLSA-N 459.978 2.901 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760282199 XNFZEBMXTBENPN-HUUCEWRRSA-N 487.072 2.839 30 10 JFEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760348285 FGHAABSROQJNJM-UHFFFAOYSA-N 494.640 2.936 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760422141 BBJGOPBKKWTQEJ-SIKLNZKXSA-N 473.643 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760551858 UGIACHSHKJRLNV-YJBOKZPZSA-N 499.431 2.549 30 10 JFEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1)N(C)C(=O)OC(C)(C)C 1761422303 CTMHJIHRYZAIQW-QGZVFWFLSA-N 456.547 2.821 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)C)CC1 1768259204 HJKBHZMHICIPKK-NRFANRHFSA-N 474.631 2.738 30 10 JFEE CS(=O)(=O)N1CCC(C(=O)NC(=Nc2ccc(Br)cn2)c2ccccc2)CC1 1858079575 QFCYUNMVNMRHHL-UHFFFAOYSA-N 465.373 2.710 30 10 JFEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862414729 HFTJLEYPIRYGHX-HXUWFJFHSA-N 472.444 2.574 30 10 JFEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1Cl 1862441104 ZJDCPYHGRVQPHD-GOSISDBHSA-N 460.826 2.590 30 10 JFEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862556826 AIGTUVCFWZJQKA-NRFANRHFSA-N 464.478 2.768 30 10 JFEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(OC)c(O)c(OC)c1 1862565425 XGXJBCPLGIDCCO-OAQYLSRUSA-N 469.538 2.912 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC 1862578118 HXBDDGNMGAVQCV-ZSEKCTLFSA-N 487.505 2.689 30 10 JFEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862630004 JXNAOQCJNXMOBI-FQEVSTJZSA-N 462.418 2.868 30 10 JFEE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(C#N)cc1 1866610026 JMMQHWCKVGNTLO-AREMUKBSSA-N 475.549 2.643 30 10 JFEE COC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866872139 JNZSANHQVBLBFQ-BEFAXECRSA-N 454.552 2.955 30 10 JFEE N#Cc1c(NC(=O)Cn2cnc3c(nnn3Cc3c(F)cccc3Cl)c2=O)sc2c1CCC2 1870104270 PCAXPOJYLZTLFB-UHFFFAOYSA-N 483.916 2.889 30 10 JFEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 1870140185 DAUNKECHHFXWMC-UHFFFAOYSA-N 472.292 2.773 30 10 JFEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)CCc2ccccc2)cc1 1870148586 URRQDYCXXXNIMM-UHFFFAOYSA-N 459.554 2.782 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(Br)cc2)c(=O)cc1CSc1nnnn1C 1870205090 GMVGWIWKXYAFEM-UHFFFAOYSA-N 491.371 2.630 30 10 JFEE CCOc1ccc(/C=N/n2c(SCC(=O)OC)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OCC 1874338051 RQYHVJHYHDFQRV-FQIOEHTJSA-N 489.598 2.947 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccc1Cl 1874436087 LLINRKZXMRTXQT-BRJLIKDPSA-N 456.959 2.858 30 10 JFEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@H](Oc3cccnn3)C2)[C@@H]1c1ccc(C#N)cc1 1891306495 VCMJKXNLZGJLFZ-VJBMBRPKSA-N 465.579 2.812 30 10 JFEE CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CC(COc4cccnc4C#N)C3)n2)cc1 1891477788 IMKNPDYVYRJNPT-QGZVFWFLSA-N 459.506 2.674 30 10 JFEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C1 1891921849 ZGPYRQVVKDMKOS-OAHLLOKOSA-N 480.999 2.606 30 10 JFEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)SC1=NS(=O)(=O)c1ccc(F)cc1 2040565439 XKVNMDZENLQXAD-KRWDZBQOSA-N 465.528 2.872 30 10 JFEE CN1CCC(C#N)(NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 2124728110 VJJRUPFIHMRIQP-UHFFFAOYSA-N 455.603 2.650 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)O1 2180959061 AFZBYLNJEURMQW-RBUKOAKNSA-N 460.380 2.674 30 10 JFEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)co1 2180991814 RUSJUJGHQBEMOF-GFCCVEGCSA-N 459.312 2.602 30 10 JFEE CN(C(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180991835 SAMMUYUPPLKVNV-QGZVFWFLSA-N 468.203 2.948 30 10 JFEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2247861651 NYFGPSZGLHHQMM-SSEXGKCCSA-N 458.411 2.810 30 10 JFEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCC1 2255534096 CDOSZIQUSAGADQ-UHFFFAOYSA-N 451.398 2.915 30 10 JFEE C[C@@H]1C[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255640697 VILMSBYEPHUILN-ZIAGYGMSSA-N 451.398 2.818 30 10 JFEE CON(CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2255932725 FAECZDOEGDYDHT-UHFFFAOYSA-N 496.844 2.778 30 10 JFEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)F)c1nscc1B1OC(C)(C)C(C)(C)O1 2256680187 SJDUUPNENRZMNW-DYEKYZERSA-N 457.377 2.871 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256727774 YQIDHHCUFXPZPJ-NRFANRHFSA-N 451.398 2.848 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2267128692 YYQAUCKZNUESJS-GASCZTMLSA-N 463.409 2.690 30 10 JFEE CC(C)(C)OC(=O)NC1CCS(=O)(=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2267162896 CWGTUECRSRLFPW-UHFFFAOYSA-N 485.437 2.738 30 10 JFEE Cc1cc(S(=O)(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267351575 AIAPNFOUPGPHMC-INIZCTEOSA-N 466.409 2.582 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCN1Cc1ccccc1 2267360540 VNCJEPFERGAFIQ-NRFANRHFSA-N 456.417 2.847 30 10 JFEE C[C@@H]1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267373624 GIJCJKCGDZHBAH-MRXNPFEDSA-N 466.409 2.616 30 10 JFEE CN(Cc1nc(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2267459117 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C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccc(OC)c(OC)c1 1539291553 SIZCBCKMLJEUQE-UHFFFAOYSA-N 451.571 2.874 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCN(C(C)C)C1 1539415352 CSAQYZKYUHRUJO-NFBKMPQASA-N 453.587 2.997 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC[S@@](=O)CC)CC1 1539436715 ZOXKRBNPKFXTIE-XIFFEERXSA-N 467.595 2.641 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CC)CCC2)CC1 1539468319 DKFCWUATKWOJKW-VWLOTQADSA-N 457.619 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1539489088 QEWDLIDSXDSLAU-ZWKOTPCHSA-N 480.535 2.660 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1539552574 VWMCIEBVBXPLLF-AREMUKBSSA-N 475.597 2.972 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1539744263 HBCAIWPUQACXRT-IRLDBZIGSA-N 452.603 2.923 30 10 JFEE C=CCn1c(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861211 HHLFWLHTCXAEJS-QHCPKHFHSA-N 478.041 2.776 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540864334 WRPNGCSEEOXNMO-UHFFFAOYSA-N 499.369 2.565 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1540870159 GFMPENBWTUKJRC-ZWKOTPCHSA-N 476.622 2.699 30 10 JFEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)C[C@H]2C)CC1 1540972230 DZSLJUTZODMPJR-OXQOHEQNSA-N 475.519 2.758 30 10 JFEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cn1 1541736591 CEMXLEMXPZMKMA-SFHVURJKSA-N 495.609 2.517 30 10 JFEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)CC2)c(F)c1 1542552408 BWNLAGBCJGSWCA-IAGOWNOFSA-N 452.452 2.783 30 10 JFEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)C1)S(C)(=O)=O 1554228814 GYJMVNAJTGQBTR-FQEVSTJZSA-N 486.642 2.620 30 10 JFEE COc1ccc(OC)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)c1 1554965340 BEUWLDXLLNTHNZ-MRXNPFEDSA-N 473.331 2.830 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1555419981 BDQMEFFFZYPQGV-XXBNENTESA-N 468.583 2.947 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)CC1=O 1555584138 AGRZKKCXPYVDNG-UHFFFAOYSA-N 489.580 2.732 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1587678078 OEMXLFPEGCLVNW-KRWDZBQOSA-N 461.035 2.846 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1587831956 XCOLPAWZMWTUCV-WIYYLYMNSA-N 470.021 2.786 30 10 JFEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1587847751 RFVWWOYCKNLXKU-UHFFFAOYSA-N 482.507 2.510 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588059537 PWJGVWCAVAPEDG-QFIPXVFZSA-N 478.622 2.701 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN/C(O)=C1\N=CC=CC1=O 1588089875 QFVWSLLMAKOETA-IMVLJIQESA-N 493.571 2.952 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1588400158 XGDBLSLAJSDOCN-OALUTQOASA-N 469.590 2.820 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1cc(F)ccc1N1CCOCC1 1588604788 PODHVFAEXKCAFX-UHFFFAOYSA-N 453.518 2.957 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2snnc2C)CC1 1588741857 JHDIKBIKJZVNBB-IBGZPJMESA-N 451.600 2.998 30 10 JFEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(N2CCCNC2=O)CC1 1589097803 YDTVGBXEJIHTFR-UHFFFAOYSA-N 468.627 2.650 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1589427271 GEDNALWRCSITNB-MRXNPFEDSA-N 454.394 2.576 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1589492577 CITHVISHCPTSMT-ZWOKBUDYSA-N 464.563 2.773 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589715756 UKNMPDOYAFCWIM-ROUUACIJSA-N 456.566 2.922 30 10 JFEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1594626806 PHCZPABVTYVRFW-UHFFFAOYSA-N 454.623 2.786 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1594760535 KXHGOXXZXNALGK-UHFFFAOYSA-N 482.677 2.923 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1595866964 ZZCDDYXGNDGPIX-UHFFFAOYSA-N 490.630 2.853 30 10 JFEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1)N(C)C 1603191232 GECHGRGPNFYPRR-LADGPHEKSA-N 465.646 2.952 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C1CCCCC1)N(C)C 1608563040 GPJWWPXNLUJYLQ-QFIPXVFZSA-N 493.660 2.520 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3Cc3ccc(C(C)(C)O)cc3)CC2)c1C#N 1612469639 CXVJHOUNYBTHOQ-UHFFFAOYSA-N 462.602 2.917 30 10 JFEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(O)(CC)CC)C2)CC1 1615875243 DZNRXAZJPDGEHO-JOCHJYFZSA-N 451.619 2.584 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1=O 1619938652 BYLHCLKLBVOMPC-RXFWQSSRSA-N 479.629 2.622 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 1639869391 FPXSPDPDNCZSRX-IZZNHLLZSA-N 473.598 2.996 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3Cc4ccccc4N(C(=O)C(F)(F)F)C3)cc2C1=O 1640038827 CXLJAEXOMVMOGI-HNNXBMFYSA-N 457.408 2.719 30 10 JFEE C#CC[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)c1ccccc1 1642509653 GOJUPMYBFVBYRL-SELNLUPBSA-N 455.580 2.777 30 10 JFEE CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1649575781 IAWCYBMPXUGCPP-HXUWFJFHSA-N 477.569 2.884 30 10 JFEE C#CCN(C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1CCS(=O)(=O)C1 1669089171 MKCHLJUUUWRYDN-ZDUSSCGKSA-N 455.359 2.622 30 10 JFEE C#CC1(O)CCN(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 1675935957 FYKPFBORTDSZOS-UHFFFAOYSA-N 452.521 2.777 30 10 JFEE C[C@@H]1C[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 1681226347 FOCGDMKPPCUPJM-VQHPVUNQSA-N 451.568 2.833 30 10 JFEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1686340987 AWGZAXBSMXUVNY-LJQANCHMSA-N 455.559 2.748 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(OC)cc1 1689846268 IFWMQEVJZDROST-KRWDZBQOSA-N 452.584 2.947 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1689854758 HJSLLOJVEFSTGB-DVECYGJZSA-N 455.628 2.543 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1689988148 KDKTVERLEFDWEN-QGZVFWFLSA-N 485.997 2.986 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1689991299 ZLIPQYUVGCOOPP-OALUTQOASA-N 477.656 2.587 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1690033068 PHTYBRDMIJYPHQ-AZUAARDMSA-N 490.029 2.958 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1690034557 LQAORILELGZGKV-HHHXNRCGSA-N 477.609 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCc1nnc2n1CCCCC2 1690055397 UHQPYDUGXQWGOO-UHFFFAOYSA-N 473.581 2.889 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1690065414 WLNYLCHXNQMFEX-HNNXBMFYSA-N 479.766 2.809 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2F)CC1 1690137859 KOBHSVGUUKLPQI-DEOSSOPVSA-N 489.979 2.737 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OCC)CC1 1690154176 JUGLRJFDMJHFCG-UHFFFAOYSA-N 456.616 2.508 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690154767 YUMKXMMDIXELGZ-GMAHTHKFSA-N 497.665 2.896 30 10 JFEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](OC)C1 1690500112 LMRXDIFIMDZWHI-SFHVURJKSA-N 462.620 2.755 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCC)C1 1690559452 FZAQLONZBGHXOA-XZOQPEGZSA-N 482.654 2.976 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cc(C)cs1 1690663364 UKXNGIOQNBDWTQ-UHFFFAOYSA-N 488.639 2.504 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1690665399 BUCKXGBSGUGMNA-LJQANCHMSA-N 475.597 2.928 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1c1nncn1C 1690675752 DMTVVIMWTRQJQR-MRXNPFEDSA-N 491.383 2.936 30 10 JFEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1693935481 BCOWTHSYUXOFML-NRFANRHFSA-N 466.586 2.993 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1)OC 1693956862 FHVPNDBORSHVEA-DENIHFKCSA-N 467.618 2.524 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 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C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1300488043 AFXZFLBCLKBFMW-PKOBYXMFSA-N 490.651 2.732 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCN1CCCO 1300516429 ONHUHBLPMMTVHE-MRXNPFEDSA-N 462.417 2.689 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(SC)CCOCC1 1300654936 LHMKMHMPBVTSIU-UHFFFAOYSA-N 458.584 2.715 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1300684083 XBGMQUAQOZLQCG-FGZHOGPDSA-N 490.574 2.838 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)CC1 1300725830 KOTUEZNYBYVCAO-HXUWFJFHSA-N 496.612 3.000 30 10 JFEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300745796 LOODBYYHXJLNLA-OALUTQOASA-N 469.611 2.822 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1300767457 YYZDGDRZVQXJFB-UHFFFAOYSA-N 454.629 2.507 30 10 JFEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300844825 SGJWBCWDUPQAMV-CXAGYDPISA-N 460.332 2.695 30 10 JFEE 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450.587 2.852 30 10 JFEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540856184 YDKXJMIIDPQICX-KNQAVFIVSA-N 482.629 2.916 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1540857881 UPCGARQMHXDICH-VQTJNVASSA-N 489.665 2.615 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H]2Cc2cccs2)nnc1[C@]1(OC(C)C)CCOC1 1540876124 IKIRHHOIKZICNG-MBSDFSHPSA-N 459.616 2.894 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1548333401 GBVCWBZBIIGLRG-OALUTQOASA-N 490.605 2.775 30 10 JFEE COCC(=O)N1C[C@@H](C(=O)N2CCCC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376035 GOPJLSOCZLAHLO-FQEVSTJZSA-N 478.515 2.891 30 10 JFEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)c(OC)c1OC 1554927051 DYMNPZSFJXQABR-HSZRJFAPSA-N 456.547 2.620 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1587783143 KXSUBUNBCWKMFT-UHFFFAOYSA-N 498.638 2.780 30 10 JFEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1587835136 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30 10 JFEE CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282536592 FHFPIMCBJDAZTI-UHFFFAOYSA-N 463.359 2.897 30 10 JFEE CC(C)(C)OC(=O)N1CC(N(CC2CCC2)C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282565081 DVNIDEBKJRXHQP-UHFFFAOYSA-N 460.384 2.571 30 10 JFEE Cc1ccnc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282567853 UCLWDOSJXXGVRO-YESZJQIVSA-N 457.380 2.674 30 10 JFEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 2282581506 IWXSSHQBZWNQBS-UHFFFAOYSA-N 462.400 2.547 30 10 JFEE CO[C@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2282683147 ZBZFDSLKVMUGLQ-OALUTQOASA-N 460.380 2.658 30 10 JFEE CO[C@H]1CN(C(=O)c2c(C)cccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282683659 GRCPIWDNYJETQZ-MSOLQXFVSA-N 460.380 2.658 30 10 JFEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2282846834 PONSJDVTVQPAHB-SJORKVTESA-N 482.383 2.507 30 10 JFEE C[C@H](NC(=O)C1CC(O)(CNC(=O)OC(C)(C)C)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2283977714 SSYWGKUDQKQCEN-IJQKHUKSSA-N 480.436 2.890 30 10 JFEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2284029994 FSMQRBZFNUGJSU-XMMPIXPASA-N 460.380 2.628 30 10 JFEE CC(C)(C)OC(=O)NC12COC(C(=O)Nc3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)(C1)C2 2284122410 NSNBRMIYKCJGNH-UHFFFAOYSA-N 462.327 2.890 30 10 JFEE COc1cc(CNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289461140 TWBVMLHNYMLNAS-KRWDZBQOSA-N 460.380 2.868 30 10 JFEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2295581709 UWLVSDYPCDMZMS-FQEVSTJZSA-N 487.378 2.951 30 10 JFEE CC(C)Oc1ccccc1C=NNc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659802 NEMJBRDFVVTQFN-AWEZNQCLSA-N 469.361 2.599 30 10 JFEE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323022691 VLWFUGQMFZQHEB-UHFFFAOYSA-N 471.381 2.808 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334263356 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COC(=O)CN1C(=O)C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)S/C1=N\c1ccccc1 58943367 YCFCAKURJTZFOT-FDHBPBSMSA-N 485.562 2.557 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N3CCc4ccccc4C3)cc21 526890310 XYXFFPLAUAVDDA-GTOJURISSA-N 466.559 2.503 30 10 JFEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 609072293 NFGCTRCRWBRXKX-UHFFFAOYSA-N 480.546 2.601 30 10 JFEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1Cc1ccccc1 613076367 UOYFLYNLIOEFEU-UHFFFAOYSA-N 485.487 2.638 30 10 JFEE COc1ccc(-n2c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668554 NCSABCITVJZRBI-UHFFFAOYSA-N 458.543 2.674 30 10 JFEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCN(C)C)C(=O)O 757201717 QDSKHXIFEJWAKG-BJKOFHAPSA-N 477.561 2.828 30 10 JFEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)c1 1084441025 YFMIBHWFBINAAK-UHFFFAOYSA-N 461.935 2.839 30 10 JFEE C=CCn1c(SCC(=O)NC[C@](C)(O)CN(C)C)nnc1-c1ccc(Cl)cc1Cl 1137732338 CJYUTVUZNIPGMY-IBGZPJMESA-N 458.415 2.959 30 10 JFEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1190741796 GRDRIDXYTJFZNP-SFHVURJKSA-N 453.973 2.884 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1286295618 JSFXXYGKZJUJIC-PXNSSMCTSA-N 465.558 2.740 30 10 JFEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1286318825 RFPDEHZZJKGHIG-UHFFFAOYSA-N 452.584 2.815 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286348265 VSVXSIRYZNZGPS-ICSRJNTNSA-N 485.633 2.846 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCCNc1ccc(C(F)(F)F)cn1)[C@H]1CCS(=O)(=O)C1 1286386432 ZSMOATOGXROGMO-KRWDZBQOSA-N 484.548 2.944 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286395171 ZGTYLDMSVQZJTC-LJQANCHMSA-N 456.593 2.614 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286398713 NAMSETLMNQTCQW-QGLKVJOYSA-N 478.659 2.639 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccc(C(N)=O)nc1 1286401968 UISIHLXKPUYXCO-UHFFFAOYSA-N 483.757 2.976 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCN1CCCC1 1286409098 IDNAAWMVFSOKPW-JOCHJYFZSA-N 484.645 2.925 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1286430697 PWUOMUMLOOYQJH-QTJGBDASSA-N 458.610 2.993 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(CC)(CC)OC)CC1 1286473609 UVDLCLXKUHKZGE-UHFFFAOYSA-N 487.674 2.507 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCOC(C)(C)C)CC1 1286478546 DBQBCHHKCBRITL-UHFFFAOYSA-N 477.613 2.635 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)CC1 1286478789 CLEZVXIAPQIHRI-GOSISDBHSA-N 467.517 2.841 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCCCC2=O)CC1 1286491016 AVLFBKBRFZNSGZ-UHFFFAOYSA-N 494.615 2.767 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1286538036 LJXPLRVVQIYJFE-KRWDZBQOSA-N 498.447 2.804 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCCC)CC1 1286557150 UHULASBOLQQIOJ-URVUXULASA-N 472.634 2.733 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286592824 WYUFRLZBUCPBIU-OTWHNJEPSA-N 463.579 2.547 30 10 JFEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccccc1 1286677891 LXOVVWCRJZLIPB-CJFMBICVSA-N 450.587 2.836 30 10 JFEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286684123 FMQGBJVJYNIJER-UHFFFAOYSA-N 456.572 2.941 30 10 JFEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286702473 NTKLVWKKDHBJRG-UHFFFAOYSA-N 458.557 2.858 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](SCC)C1 1286786368 COCQHPBKGHFPBC-QGZVFWFLSA-N 481.626 2.606 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286790214 KVPPQHPSINCVHY-LJQANCHMSA-N 468.583 2.545 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCCC2)C1 1286815239 PJNZDQVUMWKGTQ-UHFFFAOYSA-N 498.447 2.796 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1286818963 VCLOBYZQUCHKCW-UHFFFAOYSA-N 460.510 2.783 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1 1287474793 GXXGRZIFXPOAOK-ROUUACIJSA-N 491.566 2.738 30 10 JFEE C#CCN(CC(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1297741983 SYCDTHRUALGYTA-UHFFFAOYSA-N 453.580 2.637 30 10 JFEE C#CCCCn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1300425423 UPKDRHOVVQWWLT-LSTHTHJFSA-N 496.033 2.866 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300490090 ZGAQNERYOBSIFP-FCHUYYIVSA-N 480.638 2.564 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1300497347 AVGKONPHYZKSQO-KNQAVFIVSA-N 463.003 2.718 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(S(C)(=O)=O)CCCC1 1300513082 VMLLZIYAZTWRRR-GOSISDBHSA-N 458.559 2.987 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1300649387 LXITXDDMZKJUMW-JOCHJYFZSA-N 489.617 2.970 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCSC2)CC1 1300690117 CAIZRNGNVTUQJJ-HXUWFJFHSA-N 452.411 2.875 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCOCCOC)CC1 1300693373 XEIALTOUOHHKMP-UHFFFAOYSA-N 462.392 2.516 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1300718682 FAAMRNMSAIXECU-HSZRJFAPSA-N 473.625 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1300728856 HOCLEZKQQHQLHP-XMMPIXPASA-N 490.652 2.678 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@](C)(C#N)C1 1300754995 IXNGGRKFZCUVIA-NRFANRHFSA-N 457.629 2.735 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCOC(C)(C)C2)CC1 1301086652 MHGSMCYNMALOSH-HXUWFJFHSA-N 490.649 2.854 30 10 JFEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)CC1 1301147194 BULKDUYHMIDAAG-UHFFFAOYSA-N 452.607 2.723 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)ccc(F)c2C1 1301257903 GCUUCRPVDXXQIM-OAHLLOKOSA-N 452.527 2.614 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1301439424 GALHPWIISLFPBY-XMMPIXPASA-N 466.611 2.988 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301490242 NYWYIJPTYRMWMZ-AEFFLSMTSA-N 473.419 2.991 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301579142 OFRJWDALURVFLQ-SFHVURJKSA-N 492.646 2.720 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1301611743 GTSXNBXKVLPKCC-GOSISDBHSA-N 459.620 2.873 30 10 JFEE C#C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1 1312736316 XETILTBEFHCXBM-GOSISDBHSA-N 450.358 2.873 30 10 JFEE COCC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1315973494 HQFMEZDGFATPKT-RUZDIDTESA-N 496.015 2.903 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1358935004 SOESVWAQLZDMMM-OAQYLSRUSA-N 464.570 2.998 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1358960912 OBSCTYXHRSOVSS-IRXDYDNUSA-N 464.542 2.577 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358965674 ZCAPVQWEHRSPJT-FQEVSTJZSA-N 455.971 2.592 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCCO[C@H](C)C1 1358973817 GYSASPKCZPUYNP-HXUWFJFHSA-N 451.571 2.536 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCNC(=O)OC(C)(C)C 1358988818 DZXNVAFZOOCULU-UHFFFAOYSA-N 489.584 2.689 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN(CC)C1CC1 1358999493 SWCHYSPFHCBRTK-BGYRXZFFSA-N 454.619 2.996 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1359047785 TWROCTRFIBABKQ-AVRWGWEMSA-N 471.577 2.759 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCCN2CCOCC2)CC1 1359075840 HXXVNSTUSGUTGO-UHFFFAOYSA-N 483.455 2.654 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1359082257 DEESUAYJYQQWIP-INIZCTEOSA-N 467.412 2.613 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1359194830 CCIGFMKFHRFEJI-PKTZIBPZSA-N 466.630 2.789 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC1(O)CCOCC1 1359278875 KAJJOPYQBGPTOU-UHFFFAOYSA-N 454.369 2.606 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359283909 CONRTBFMVIZFLN-UHFFFAOYSA-N 456.348 2.590 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nnc1[C@]1(OCC)CCOC1 1359305413 CDFVKPHKEBIFFQ-XXBNENTESA-N 493.967 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 1359336468 QTTJXDXNSOERJE-SFHVURJKSA-N 495.646 2.568 30 10 JFEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 1359342236 SEYUQDSKMGRSQV-PMACEKPBSA-N 492.690 2.833 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1507536300 BKELPORBECSMMV-HIFRSBDPSA-N 456.490 2.714 30 10 JFEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)CN1CCOCC1 1507560721 NIQWESFYOHAVCN-UHFFFAOYSA-N 456.591 2.604 30 10 JFEE C#CCCCn1c(N2CCN(c3ccc(OC)c(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1507599566 QWFRHRCJZKVQJS-DEOSSOPVSA-N 457.550 2.818 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507629970 SATFVULOHAKJEG-GOSISDBHSA-N 470.624 2.755 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CN(C(=O)OC(C)(C)C)C1 1507646261 SCOLTVFPBXLEFA-UHFFFAOYSA-N 465.554 2.902 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1507667502 NINZULRIHLPRKP-UHFFFAOYSA-N 497.559 2.598 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1([S@](C)=O)CC1 1507706282 LCHXYVLSBPFKMM-SANMLTNESA-N 457.419 2.766 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2(O)CC2)CC1 1507734661 SSJQJBQBQPZJTM-UHFFFAOYSA-N 492.805 2.852 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CCOCC2)CC1 1507735311 RNKVSKAPWJLKPW-UHFFFAOYSA-N 483.638 2.832 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507745557 ZTQNOHJYOOVHQF-GOEBONIOSA-N 463.405 2.650 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1507750688 BXGRHCXFURTSMG-UHFFFAOYSA-N 457.648 2.613 30 10 JFEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507751848 SAGNRYWTLSDGHB-XLIONFOSSA-N 455.584 2.652 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1507762234 REDNLTMHQBPULJ-OAQYLSRUSA-N 474.974 2.698 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507781204 RCPKAEMKDRFVML-FQEVSTJZSA-N 462.348 2.587 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCNC(=O)C(C)C)CC1 1507896266 BQBJRIRVIFCZIY-UHFFFAOYSA-N 488.658 2.760 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCNC(=O)c1cc[nH]n1 1507999669 NIKXJTVOVODGAG-UHFFFAOYSA-N 455.526 2.501 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1508086395 KYFPPHLZDRVXGU-LJQANCHMSA-N 493.612 2.791 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1508114061 JITAPRMKEDILEF-NCXUSEDFSA-N 483.679 2.899 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)CC)C1 1508133220 FCWIQDOZFTWAMB-SFHVURJKSA-N 471.583 2.787 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1N1CCCCC1 1510148397 GYSKKVWOSHAEFP-MSOLQXFVSA-N 459.620 2.665 30 10 JFEE COc1ccc(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1518269294 ALTFBOOWZDKOKU-INIZCTEOSA-N 485.342 2.897 30 10 JFEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 1523711987 BJSSWJONMAHLJU-PPDQVPDSSA-N 457.552 2.878 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)C)CC1 1539052106 LVJXMZXDVUECFZ-UHFFFAOYSA-N 458.632 2.529 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539231244 QCAHFJGLKSVORC-LJQANCHMSA-N 474.652 2.811 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1539345421 UGVRBZQMTXJCHH-BWKNWUBXSA-N 454.571 2.914 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1539431533 VDSSIYWVKZZYJQ-ATIYNZHBSA-N 472.678 2.584 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Sc2ccccc2)CC1 1539482663 WEQGMFUGMDARDB-ICSRJNTNSA-N 453.612 2.929 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1539939478 HDYAZECSSJGRNV-KOUHRCEDSA-N 494.683 2.798 30 10 JFEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1539975612 XUOKWYPNYQUJQS-FQEVSTJZSA-N 489.665 2.965 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540866884 DKGWLYIPEOITBU-HKUYNNGSSA-N 454.575 2.905 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](COC)C1 1540899383 MBFMYQHNEKLYIP-OAHLLOKOSA-N 469.405 2.781 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1540902518 LGNWMBBCUXAFDO-LJQANCHMSA-N 460.600 2.653 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1540903157 ZPIATOOLGMCCOD-HNNXBMFYSA-N 454.980 2.681 30 10 JFEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1541686992 BSWKBOLORJAUEW-HXUWFJFHSA-N 466.586 2.753 30 10 JFEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)n(C)n1 1542998723 AXRYREZNBWICJM-UHFFFAOYSA-N 462.558 2.964 30 10 JFEE CCC[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1CCOC 1545898887 CYDYPMGLRICEBG-IBGZPJMESA-N 455.559 2.982 30 10 JFEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1555341810 GLAARICGTBGAJP-HXUWFJFHSA-N 475.553 2.524 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(F)cc1C(=O)OC 1561922833 ZATPMHLNQBUPMT-UHFFFAOYSA-N 454.520 2.636 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)cc1 1566997136 QBDJMDLOFMZWMW-IBGZPJMESA-N 451.552 2.956 30 10 JFEE C#C[C@@H]1COCCN1C(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1583612521 VYDLPSTZRGPRSD-VQTJNVASSA-N 456.564 2.756 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(CS(C)(=O)=O)c1 1587927253 ZSJGVCSGCBXXAX-UHFFFAOYSA-N 462.373 2.698 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588045039 FYJPUUBLVKHAKD-VXKWHMMOSA-N 465.579 2.745 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588060092 ZFYNGSQUKJHERJ-GOSISDBHSA-N 487.626 2.896 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1Oc1cccc(F)c1 1588074766 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CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c1)C2 2282495172 IRWUPFZSOPPHQH-RCDICMHDSA-N 498.838 2.927 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282495421 MCBIDLVLXVSHOR-VQIMIIECSA-N 480.436 2.661 30 10 JFEE Cn1nc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282554299 BHUASRLNRCOXGJ-KGLIPLIRSA-N 482.818 2.796 30 10 JFEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(CNC(=O)OC(C)(C)C)C1 2282613558 BUAOKJQHODKQLV-UHFFFAOYSA-N 460.380 2.981 30 10 JFEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C1 2282683471 DOHMJEMVUGCMDX-XJKSGUPXSA-N 454.298 2.823 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](F)C1 2282857043 BSYWNCBGUXQVJF-MSOLQXFVSA-N 484.399 2.612 30 10 JFEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2283055443 GXQDJYCQLOTNFT-LJQANCHMSA-N 450.392 2.901 30 10 JFEE 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Cc1scc(C(=O)N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2369543926 SLDWQBSGDJVKKL-USXIJHARSA-N 478.420 2.720 30 10 JFEE C=CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 6577914 SJIKPFVMJWCALW-UHFFFAOYSA-N 454.552 2.543 30 10 JFEE COc1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1S(=O)(=O)N1CCOCC1 14497451 QBBIEEKQJJOAOX-UHFFFAOYSA-N 498.586 2.892 30 10 JFEE COCCSc1nnc(NC(=O)CSc2nc(N/N=C/c3ccc(OC)cc3)n[nH]2)s1 21039543 JSJOTCKCCDCHKI-GIJQJNRQSA-N 480.601 2.580 30 10 JFEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3cccc(OC)c3)n2N)cc1 21325986 ZLVVDCUXEQXZMD-ZVHZXABRSA-N 455.544 2.966 30 10 JFEE COc1ccc(CNc2c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)cc1 39851559 ZXFZQCOCFBHRHX-VCHYOVAHSA-N 498.586 2.862 30 10 JFEE COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(N/N=C2\C(=O)NC(=O)N=C2O)cc1OC 39931613 ARUVHCZWXQKQOP-UHFFFAOYSA-N 493.476 2.834 30 10 JFEE CCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)s1 58994347 ACWLTHICTZENAM-REZTVBANSA-N 466.574 2.746 30 10 JFEE 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C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3c(C)nn(Cc4ccccc4)c3C)cc2C1=O 800717635 YGTFDFWEBOGMAC-UHFFFAOYSA-N 486.528 2.803 30 10 JFEE COC(=O)c1ccc(C=NNc2nc(SCCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cc1 1084491684 NVQOZGNSYPXEDP-UHFFFAOYSA-N 468.495 2.887 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCc2cccc(OCC#N)c2)cc1 1126121780 GKQTZAIVGGEDEX-JOCHJYFZSA-N 455.536 2.651 30 10 JFEE Cn1cc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc21 1279658593 DBQYDMMPKZTYOH-UHFFFAOYSA-N 450.564 2.810 30 10 JFEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286379883 DFCKRCGXZQCPEV-LJQANCHMSA-N 490.029 2.678 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1286386799 HQZQDMJSHAYFFG-QHCPKHFHSA-N 492.649 2.857 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286387731 USVLHLXNNRTAIR-VSKRKVRLSA-N 486.686 2.668 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286392917 DBEKBYCEXNMCEG-FCHUYYIVSA-N 485.654 2.667 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)N1CCOCC1 1286437930 PCNJDVDSZCJBMF-INIZCTEOSA-N 462.392 2.896 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286446781 IYYWDHNTDYTHDX-RTWAWAEBSA-N 471.627 2.541 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)C1CCCCC1 1286466547 JFZSMCHIPZMHLD-RUZDIDTESA-N 450.587 2.934 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2sccc2Br)CC1 1286485519 ORYVAYAUDVXXCJ-YJBOKZPZSA-N 480.432 2.630 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1286633522 XQRNHNRNFDLXEV-SJLPKXTDSA-N 490.992 2.767 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286752789 HURMECXZFMXSJW-IBGZPJMESA-N 499.559 2.790 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCC[C@@H]1C 1286773190 JNTJFOCYFZOKMC-JXQFQVJHSA-N 479.622 2.776 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCn2nc(C)nc2C1 1286780996 UIVZLGAVIBTHSV-MRXNPFEDSA-N 484.992 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473.581 2.556 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1539300682 WUUOKKQWHZTKLP-NTKDMRAZSA-N 459.591 2.696 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nc2cccc(Cl)c2n1C 1539420436 DTRFBAURUOOWHM-UHFFFAOYSA-N 466.977 2.814 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1539431536 VDSSIYWVKZZYJQ-NVQXNPDNSA-N 472.678 2.584 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1539432180 YOKWBPRFRSAVEG-MOPGFXCFSA-N 456.566 2.617 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1539469654 SXKWFJMHKWIGEI-OXQOHEQNSA-N 491.514 2.947 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539514800 VFDQLUNPBBDCDE-SFHVURJKSA-N 457.560 2.516 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C1CC1)N(C)C 1539540077 FWRIUEQJJAZOSH-ZJSXRUAMSA-N 470.643 2.528 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539613048 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JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC(F)(F)F)CC1 1588890627 CLHDOSLTPUKWGS-OAQYLSRUSA-N 471.524 2.627 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCC[C@@H]2C)CC1 1588947353 PDJAFTDMNOSGCW-IBGZPJMESA-N 469.033 2.972 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)CCCO2)CC1 1588947759 VZJQKPNRPFLOFC-DEOSSOPVSA-N 457.525 2.682 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccc(C#N)o2)CC1 1588969298 ZQUBCJMOKZDXAE-UHFFFAOYSA-N 488.548 2.735 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589060839 ZOMXJRLCCWSLSC-GBESFXJTSA-N 479.647 2.609 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1589403711 CEWRNSKEUKNESH-CYBMUJFWSA-N 452.313 2.637 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1589495376 QLZLGRGIVQXDKM-KYJSFNMBSA-N 461.364 2.756 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)COC)CC1 1589559493 RXDJLRUXRKCRAN-XMSQKQJNSA-N 459.616 2.643 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C(C)C)C(C)C)CC1 1594240871 BVPAUZRNSGGKMF-NRFANRHFSA-N 482.695 2.522 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1595561859 DXVBGPQLCZAXGP-UHFFFAOYSA-N 465.627 2.567 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@@]1(OC(C)C)CCOC1 1595595409 UHFZNFKMFRZCAB-HXUWFJFHSA-N 482.379 2.613 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCS(C)(=O)=O)C1 1595680795 NABVCOPESWUSDG-CRAIPNDOSA-N 454.980 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1595797415 FYIOSDQHMUNOOO-YADHBBJMSA-N 469.611 2.714 30 10 JFEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)CCN1CCOC 1614222372 AWHGUYXRNTWAPO-NRFANRHFSA-N 493.637 2.855 30 10 JFEE CCO[C@@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1616084255 AFDYJMAOWPVWLZ-ICSRJNTNSA-N 461.588 2.529 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)CC1 1636479623 CKIANGDILCCZLN-QEGJZFQBSA-N 470.422 2.804 30 10 JFEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1OC 1640391649 RCKGAAVGBMVTQY-GXVATQTDSA-N 452.555 2.987 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)s1 1645684442 HXKWYMZOJUEXAH-JKSUJKDBSA-N 457.618 2.659 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)N[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)C1 1669659858 LRZVCSXFXSEAHM-OFNKIYASSA-N 455.580 2.585 30 10 JFEE CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CCN(C(=O)c2ccccc2)CC1 1679943903 DIQITELMHMFNBE-ICSRJNTNSA-N 455.559 2.692 30 10 JFEE C=C(C)[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(F)c(F)c1 1681551391 FHYHPBTVSHOBBS-JOCHJYFZSA-N 458.513 2.740 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)CC[C@H]2C1 1681883967 GNOBXWYCTJLOPT-OTWHNJEPSA-N 454.575 2.820 30 10 JFEE COc1ccc([C@@H](NC(=O)NCC2(C#N)CCOCC2)c2cccc(S(C)(=O)=O)c2)cc1 1685740859 HIBBFQFRCJRDDM-OAQYLSRUSA-N 457.552 2.808 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(-n2cncn2)c1 1689853694 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ILISKXUTJNDGAT-GOSISDBHSA-N 458.950 2.664 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1690309694 HSTYDTSOQRLJNK-HZPDHXFCSA-N 467.496 2.879 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 1690313103 LFDVKVNZHRTAIT-SFHVURJKSA-N 465.595 2.794 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1690432889 NPAHALRAARCYAJ-PZJWPPBQSA-N 494.706 2.524 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690500032 JSGODRRQUXUAHQ-KRWDZBQOSA-N 479.423 2.787 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1COCCO1 1690558531 TXFNMJZUPZOPHO-RCZVLFRGSA-N 467.570 2.798 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690660204 BJVFNHXJWXTFBB-QGZVFWFLSA-N 498.584 2.883 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1690667687 DIJXSULGPIJDHK-UHFFFAOYSA-N 460.441 2.542 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(F)(F)F)CC1 1690671420 VQHIAJMGLSFFQB-UHFFFAOYSA-N 478.523 2.533 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690719025 FYKZZRIZUFGZPH-KRWDZBQOSA-N 496.033 2.513 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1690719879 UQSKOIXANUQUDM-UHFFFAOYSA-N 459.616 2.555 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1690737693 TYJPZIKOURFCCE-UHFFFAOYSA-N 467.599 2.998 30 10 JFEE CC(C)N(C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1692464494 BVMCKGPXRHHGSJ-QHCPKHFHSA-N 468.602 2.701 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1695567898 FFLCDCDBUUIBLX-SFHVURJKSA-N 486.623 2.864 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)c1 1705507863 LQGLOLLPFHPMKX-RLSLOFABSA-N 451.571 2.812 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1705557980 GBTDMIDWOGBPDP-CYFREDJKSA-N 490.674 2.627 30 10 JFEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 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C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1722724277 SFCOBMXFCORWLM-RUZDIDTESA-N 496.637 2.655 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(Cl)cccc2C1 1722729950 CGFMLXGRRFILTI-UHFFFAOYSA-N 475.018 2.957 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)cc1 1722892132 HVFYSWSFVRUGNV-OAQYLSRUSA-N 466.586 2.942 30 10 JFEE CCN(C)C(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1728255235 CQFIJWUFNIDWHG-KRWDZBQOSA-N 451.556 2.584 30 10 JFEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)C)CC2)CCOC1 1729951564 ASASRLTWHQIEFZ-DEOSSOPVSA-N 454.575 2.501 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1740620875 YOUGHYZXOHXEKG-IBGZPJMESA-N 477.612 2.869 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](OC)C(F)(F)F)CC1 1740693286 WJRGNQXAZRXEMY-OAHLLOKOSA-N 475.313 2.758 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740696704 CGTGJBLUKOPYGD-OAQYLSRUSA-N 455.006 2.536 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1740698177 QDUZOSHPYZPQDL-UHFFFAOYSA-N 457.626 2.909 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1740736210 GVBIJPUMYCCKNF-CQSZACIVSA-N 464.368 2.969 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 1740754499 TZZIURXWHKDLGW-KEYYUXOJSA-N 463.380 2.719 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1740770052 DUCZTHNMPUGTFT-HXUWFJFHSA-N 454.980 2.559 30 10 JFEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1740828408 JCESIZYDLLLZHO-UHFFFAOYSA-N 450.465 2.941 30 10 JFEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740879123 AQOUVDQPUQYLSE-UHFFFAOYSA-N 484.601 2.796 30 10 JFEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)NC)CC1 1740884702 JWNZFBXQHKZQED-UHFFFAOYSA-N 451.531 2.654 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1740914608 VVQQUAJGQXEMIN-UXHICEINSA-N 460.600 2.808 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1740949138 JAHCKDSOGMGGPV-UHFFFAOYSA-N 455.378 2.819 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)C(C)C)CC1 1740989314 ITFHRRRDQDBHEN-UHFFFAOYSA-N 480.034 2.894 30 10 JFEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740997487 UORHOHCSPBHDGW-QGZVFWFLSA-N 458.613 2.878 30 10 JFEE CCN1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1746409897 GNHZELZVGIHKIN-IBGZPJMESA-N 453.639 2.591 30 10 JFEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCCCC2)CC1 1747412799 HHFXUUWCOXVCTD-UHFFFAOYSA-N 470.643 2.954 30 10 JFEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1747771060 FYJKSNDUUAKYSN-JGCGQSQUSA-N 455.588 2.646 30 10 JFEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1748242624 IAZPNYOMJRCSGI-UHFFFAOYSA-N 452.588 2.976 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2F)CC1 1748724081 JEYIORJEBQHPQZ-UHFFFAOYSA-N 467.574 2.934 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 1748751981 PHLHGYUYVZVUHU-MRXNPFEDSA-N 468.526 2.840 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1ccc(C)c(F)c1 1748773695 BVWPIECCPXMHNZ-UHFFFAOYSA-N 473.350 2.993 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1748807930 DLJIBZIZYWBBKK-SFHVURJKSA-N 488.610 2.788 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748820469 CFAKOEGPKDSBQA-LADGPHEKSA-N 483.682 2.955 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748821193 NEGFNSUSSZAGJH-NRFANRHFSA-N 486.638 2.897 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCn1ccnc1C 1748886837 NAWNUXVYBWTALZ-UHFFFAOYSA-N 468.565 2.640 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)s1 1748959375 RBFCNUZDCMAKAJ-UHFFFAOYSA-N 458.613 2.742 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1748994963 UTMOJGLUYVNGSL-PSWAGMNNSA-N 480.657 2.728 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](SC)C(C)(C)C)CC1 1749020318 PFSXYWVWVBHLQM-ZCNNSNEGSA-N 477.675 2.746 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCC1 1749056875 WMDASJGJVHPBPY-XMMPIXPASA-N 470.643 2.673 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749105546 KDOJTNKELLKOFI-QGZVFWFLSA-N 473.375 2.559 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1749118083 CJISWIODPCYGJY-LQWHRVPQSA-N 493.605 2.620 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749232993 ZZUWLPMBLXWFNW-UHFFFAOYSA-N 453.616 2.944 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1749264644 BDVUYWKSHWZGHR-INIZCTEOSA-N 458.950 2.840 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1749329899 VLHUFWXMOZXGIJ-JENIJYKNSA-N 496.678 2.936 30 10 JFEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749459556 MYTMBGMIMFREEV-UHFFFAOYSA-N 454.604 2.652 30 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2.657 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760210992 YFMRENSRFMUFDL-SFTDATJTSA-N 495.990 2.929 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCS1(=O)=O 1760330216 VLRUHFGUZJUMLW-SFHVURJKSA-N 494.687 2.916 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1C 1760357990 QDGUWTZQUFYMPY-FQEVSTJZSA-N 489.621 2.858 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760390036 ZXXOUKNIKYGIQA-RBUKOAKNSA-N 495.646 2.710 30 10 JFEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCS(=O)(=O)CC)CC1 1760401055 YNUNJGUNZBBQIS-UHFFFAOYSA-N 484.626 2.902 30 10 JFEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760433141 ZKGIZJSWQQAPFW-MRXNPFEDSA-N 450.561 2.560 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1760441002 VTZMVAXIFVRLKF-HKUYNNGSSA-N 451.637 2.524 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)Cc1ccccc1 1760514681 DNBLDDOXJQRMSX-UHFFFAOYSA-N 481.626 2.875 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760526247 IRSNJQXXSDYPMS-NVXWUHKLSA-N 478.391 2.926 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1760533886 OMJWPZBVHBJGGT-UHFFFAOYSA-N 452.603 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cnn(C)c1 1760550519 AFKBYBKUWXCXRS-UHFFFAOYSA-N 497.394 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1760553995 OAXLHADFGUJLAM-SFHVURJKSA-N 484.626 2.758 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760557721 UQLQBKPJGQVIRL-WIYYLYMNSA-N 462.616 2.936 30 10 JFEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760569200 GWPZEYZDIFSCGM-UHFFFAOYSA-N 457.600 2.891 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 1768201180 FGHAQWMQSQKIRP-UHFFFAOYSA-N 484.626 2.623 30 10 JFEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1768997501 HTUPWPOZUIFGKJ-UXHICEINSA-N 486.642 2.809 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc2NC1=O 1772792976 IZWRXDZNQDPZLJ-GOSISDBHSA-N 465.462 2.833 30 10 JFEE COc1ccc(Cl)c(CC(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)c1 1860845347 ATWQOVVVKXBCAD-UHFFFAOYSA-N 466.885 2.863 30 10 JFEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1861792454 BGOJUQZYDIEIIP-APWZRJJASA-N 450.492 2.864 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1cc(OC)ccc1OC 1864341486 ROBXCWDLDURFPI-FQEVSTJZSA-N 461.522 2.844 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(OC)cc1OC 1864823903 WIFTYDCKDKENEN-HXUWFJFHSA-N 461.522 2.844 30 10 JFEE CCc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1[N+](=O)[O-] 1866867507 PKXMHDVVOKHAGF-UYAOXDASSA-N 485.566 2.611 30 10 JFEE CN1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868783268 QAQMCDGPJQKWGW-DHIUTWEWSA-N 497.640 2.665 30 10 JFEE CC[C@@H](C)[C@H](C(=O)Nc1c(C#N)nnn1Cc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 1870111805 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C=CCn1nc(C)c(-c2cc(C(=O)N(CCO)Cc3cnn(Cc4ccccc4)c3)n[nH]2)c1C 1151292003 MPXUKOVREIZBEB-UHFFFAOYSA-N 459.554 2.956 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1 1169929175 TYGYOBQHFMBOBK-UHFFFAOYSA-N 456.502 2.634 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(CN3CCOCC3)CCCCC2)c1 1286309030 NPBKRKILSPXHFS-UHFFFAOYSA-N 464.614 2.925 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H]2CC[C@]3(CCOC3)O2)c1 1286312289 WCDJUMDFBHWHOF-SQJMNOBHSA-N 451.571 2.871 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CCC)OC 1286423741 VYXYNPUGZWEJJU-IBGZPJMESA-N 456.616 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286429158 SCJQHLNMHHEXFN-ACIOBRDBSA-N 490.608 2.751 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(CS(C)(=O)=O)CC1 1286434225 VCPVOAXTTZJZOJ-UHFFFAOYSA-N 454.596 2.762 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCO[C@H](C)C1 1286454121 GGTDRRQGBFZFHS-QYZOEREBSA-N 477.606 2.872 30 10 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482.495 2.607 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286770276 FVTZRAAFSHOWER-UHFFFAOYSA-N 484.420 2.762 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286782087 JZTNTNPDZKTPJE-UONOGXRCSA-N 467.437 2.990 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCNC(=O)C2)cc1 1286795820 DTEYMRGGPRXHDE-FQEVSTJZSA-N 482.585 2.899 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(N(C)C)CCCC2)C1 1286813123 RVUBWKXGFFCHGV-SFHVURJKSA-N 458.632 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1286815954 CXQDEYANLGHTKB-LJQANCHMSA-N 453.568 2.943 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1 1293045244 FJYLDBCTXCMHND-UHFFFAOYSA-N 459.999 2.990 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1300308514 CJWVQUHLLOFVIV-HUUCEWRRSA-N 465.505 2.684 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300421451 HDSFUFXXBNOFAR-OAQYLSRUSA-N 471.627 2.892 30 10 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C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301588429 ZEKCXDXZEQUEHQ-IBGZPJMESA-N 488.589 2.759 30 10 JFEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@](C)(O)C(C)C)C[C@H]2C)CC1 1301707849 GGMVMIZZFZRYJD-ZJSFPPFMSA-N 493.656 2.603 30 10 JFEE C#CCN(C(=O)NCc1ncc(Br)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1313383960 YCJSSYFMJXIDDK-UHFFFAOYSA-N 452.353 2.783 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1noc2c1CCCC2 1313825029 CAHSJAWVTIZGSO-UHFFFAOYSA-N 454.556 2.603 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1314393170 ABGLAFCXQFZXCY-ACRUOGEOSA-N 495.676 2.948 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)C1 1315087607 HLXQFKRHPQGVDW-FQEVSTJZSA-N 450.543 2.609 30 10 JFEE COCCn1cc(N2C[C@@H](C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)CC2=O)cn1 1354195206 HNBZEDFUNWRLCT-FQEVSTJZSA-N 459.506 2.972 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358875408 OWWVJDVIUPYSHB-CZUORRHYSA-N 489.340 2.767 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1358925355 BQGVVQVNNVVLLV-QGZVFWFLSA-N 485.430 2.910 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1358930423 VJRWFYVFTPFYRZ-IAGOWNOFSA-N 477.656 2.926 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358957196 QXESGVAXVZIOMA-MSOLQXFVSA-N 464.563 2.609 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1358976925 XIHMJLDZBBDIAZ-WOJBJXKFSA-N 458.566 2.860 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1CCN(CCN(C)C)CC1 1358995650 ZZVBCAOUZUVENK-UHFFFAOYSA-N 468.596 2.884 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1359099159 KQBAPEULRWCUNN-BQFCYCMXSA-N 451.618 2.563 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1359099809 TVWMTMCTGGCRLS-VABKMULXSA-N 499.637 2.686 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359130784 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471.602 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@](=O)C(C)(C)C 1539290645 IYBMKPMRSLYWDM-YTTGMZPUSA-N 474.030 2.872 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1C[C@H](F)C1 1539305031 MUNPATOHJFLZAF-KESTWPANSA-N 457.575 2.797 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCS(=O)(=O)C1 1539402816 JOWXLTYBQYDZFO-INIZCTEOSA-N 481.416 2.537 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(OC)c(O)c2)CC1 1539462883 OFAPAUALUBTHTN-FQEVSTJZSA-N 496.612 2.868 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOCC(C)C)CC1 1539477511 PBOJIOBPRSZNDG-UHFFFAOYSA-N 491.596 2.622 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Sc2ccccc2)CC1 1539482666 WEQGMFUGMDARDB-QUCCMNQESA-N 453.612 2.929 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1539968299 YGJYMAFPXBATEX-UUOWRZLLSA-N 476.622 2.905 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)COCCO1 1540181930 CLHJNAWFQKJRTC-QHCPKHFHSA-N 452.515 2.559 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCc1ccc(Br)cc1 1540870779 WVTAXHFGNXIHSX-QGZVFWFLSA-N 462.392 2.916 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540874926 WFEZEMOCEBHSBW-FQEVSTJZSA-N 469.586 2.550 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)Cc2ccccc2)C1 1540888262 MOYTVIAUHSPCMP-FQEVSTJZSA-N 453.568 2.736 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 1542697329 ZOALBYTXJDFGEO-IBGZPJMESA-N 455.559 2.683 30 10 JFEE C#CCCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)CC1 1544543349 UOADTLBTKBZQNZ-QGZVFWFLSA-N 452.020 2.978 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC(=O)N(C)C 1545932000 CHDWCJOHXRAEML-OAQYLSRUSA-N 481.601 2.514 30 10 JFEE C=CCN(CC=C)[C@H](CNC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C)C(C)C 1565608174 VUXSRZUYDWIIEC-FVVUREQNSA-N 455.521 2.787 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1587766398 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454.980 2.823 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705793225 QAZBSYGZMZKRPH-UHFFFAOYSA-N 485.614 2.506 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705819997 YLZLLBVZRRMYGT-HXUWFJFHSA-N 461.607 2.998 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705875663 BPKGTSDMPYKFIU-PZJWPPBQSA-N 485.610 2.524 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705908393 BAEWQLMRTDXKDM-ZHALLVOQSA-N 474.631 2.842 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(O)CCOC2)C1 1705921544 URCGCBHXEQBBDS-IERDGZPVSA-N 479.375 2.649 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1 1705926209 ZRJNQMFVXMEGHC-QRVBRYPASA-N 497.662 2.607 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 1705931423 PGUNSYDFPCKKQB-UHFFFAOYSA-N 481.420 2.777 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCSCC2)C1 1706158019 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2283970692 VJYUEMMHQSQLSR-INIZCTEOSA-N 484.424 2.785 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2283980464 ANRGVBGNOSDYHN-LJQANCHMSA-N 460.380 2.580 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H]2CCOC2)s1 2284061550 XSPOQAKITJKWCA-MAUKXSAKSA-N 480.436 2.902 30 10 JFEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCc3sccc3B3OC(C)(C)C(C)(C)O3)c21 2284068254 BDKFCUSDLIZZBX-UHFFFAOYSA-N 474.392 2.929 30 10 JFEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2315683300 FXADLENNEPAKEB-UHFFFAOYSA-N 451.398 2.962 30 10 JFEE CC(C)(C)OC(=O)N1CC(O)(CCNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2317215149 UUPFXPHPRSXLTE-UHFFFAOYSA-N 453.776 2.818 30 10 JFEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2317414678 BKKRCYYEMWEGJR-NRFANRHFSA-N 465.660 2.818 30 10 JFEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2317604450 AQUUZOHBHBCCQJ-CQSZACIVSA-N 454.398 2.625 30 10 JFEE N#C[C@](N)(Cn1cnc(I)c1I)C1CC2(CC2)C1 2321612595 CKBYWUVMJPSSLG-LBPRGKRZSA-N 468.080 2.504 30 10 JFEE COc1ccc(C=CC(=O)[C@H]2CNCC[C@H]2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 2328198249 NQJANGKMBVUCNM-RBUKOAKNSA-N 484.465 2.511 30 10 JFEE C[C@@H]1CN(Cc2ccccc2)C[C@]1(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362462907 XREAQASZKQUQQK-CJAUYULYSA-N 452.408 2.607 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC[C@H]1CO 2364942228 PUJUNXWXZLJWSU-LPHOPBHVSA-N 457.380 2.569 30 10 JFEE COc1nc(O[C@H]2[C@@H](NC(=O)OC(C)(C)C)COC2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365378952 DOBOKRLMMNMHDW-RDJZCZTQSA-N 464.368 2.839 30 10 JFEE Cc1scc(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2369500926 WIPDCVBUARYCIJ-HXUWFJFHSA-N 469.460 2.902 30 10 JFEE Cc1scc(C(=O)NC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2369541042 ZYUCRGJYLHEJPF-XIRDDKMYSA-N 480.436 2.750 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3O)CC[C@H]1C2 2369669644 MHAFPPAWCSGVJL-UPCLLVRISA-N 458.364 2.963 30 10 JFEE C#CCn1/c(=N\C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2cc(OC)ccc21 9327107 ORRWGKADDYQLHO-QURGRASLSA-N 475.617 2.934 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)OCc3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)cc2C1=O 9701598 FBMACXLMTYNYCM-UHFFFAOYSA-N 479.445 2.901 30 10 JFEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2Cl)n1N)c1ccc2c(c1)OCO2 21318084 DBJBXPUKGHOYMO-FOKLQQMPSA-N 459.919 2.941 30 10 JFEE CCOc1cc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)ccc1OC(=O)c1ccc(OC)cc1 33431013 QPRGVAXITRGLQU-OMMIQNFISA-N 471.491 2.709 30 10 JFEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC 102507476 DEIZTHAXQLDCNU-UGUGFTGJSA-N 482.533 2.848 30 10 JFEE COc1c(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c(C=NNC(N)=S)c2c(c1OC)OCO2 254871459 VZSDZIQHJHBZLJ-CYBMUJFWSA-N 476.942 2.989 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 642709353 NATUPFPWGRXSLN-UHFFFAOYSA-N 458.584 2.647 30 10 JFEE CN(CCC#N)C(=O)c1cc(I)cc(I)c1O 701293055 QFHMICGBDSSAAS-UHFFFAOYSA-N 456.021 2.587 30 10 JFEE C#CCN(C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)[C@H]1CCS(=O)(=O)C1 729334301 LMYZVPZRHYKRPV-INIZCTEOSA-N 454.379 2.987 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2C1=O 853260721 FWNOEESVBZOYSS-GJZGRUSLSA-N 464.474 2.663 30 10 JFEE Cc1ccc(N=c2nc(NN=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)[nH]c(N3CCOCC3)n2)c(C)c1 1081123545 KBVPRFRYQHATBY-UHFFFAOYSA-N 491.556 2.911 30 10 JFEE CC(C)C1=C(/C=C/[C@H](O)CC(=O)CC(=O)O)C(C2=C=C=C(F)C#C2)=N[C-](N(C)S(C)(O)O)N1 1083078375 HFNVCQOUOGQYRN-SCOAYWHSSA-N 478.522 2.517 30 10 JFEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCC(=O)Nc2ccccn2)n[nH]1 1084336480 FFZWQPQDCOBLFR-UHFFFAOYSA-N 476.570 2.937 30 10 JFEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)cc1OC 1084336605 LVQKBMBWTMZYDJ-UHFFFAOYSA-N 471.499 2.585 30 10 JFEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n[nH]2)cn1 1084539458 MNCNZCOFYBBETG-UHFFFAOYSA-N 484.464 2.723 30 10 JFEE CC1(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 1127688067 GMAAORHERFUOII-UHFFFAOYSA-N 453.008 2.606 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)N(CCC(N)=O)[C@@H]1CCOc2ccccc21 1128941064 DZDONCVLWSCNSG-QGZVFWFLSA-N 458.312 2.927 30 10 JFEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 1186548379 HMXBMGKWXXYWQL-UHFFFAOYSA-N 452.374 2.839 30 10 JFEE C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1194615532 GXQFPWMQRGGLEJ-WOIUINJBSA-N 457.594 2.502 30 10 JFEE CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccc(F)cc21 1265435991 APSZDWCVTIBKOU-UHFFFAOYSA-N 456.543 2.971 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCSCCCO 1286289624 MFXKWZHXJMUPQT-KRWDZBQOSA-N 454.600 2.809 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1286432690 UFXOWWFZLLYROU-ZJSXRUAMSA-N 451.596 2.938 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(C)COCCO2)CC1 1286487023 CHNQARVUEBPEES-NVQXNPDNSA-N 465.598 2.591 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286499386 GXUNYGJBSQFASR-FOIQADDNSA-N 480.432 2.797 30 10 JFEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286507048 UQTVBUYPXFZDAV-JAXLGGSGSA-N 471.675 2.791 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286546270 HYAKNWUIQKXZTB-RTWAWAEBSA-N 455.607 2.819 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286547953 QSNKKTLTCIUHKF-NCYKPQTJSA-N 491.662 2.524 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1286549228 WPTOQWGJEPUIQT-NRSPTQNISA-N 450.543 2.857 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286589049 RWAIHKKSBGWDRE-UHFFFAOYSA-N 453.547 2.942 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286607506 QNKNZCOGJDLPJJ-RBUKOAKNSA-N 475.663 2.750 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)OC)CC1 1286685997 ZRNSGDMAEWPGGP-UHFFFAOYSA-N 475.615 2.941 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1286758161 FSASNAUIPRASON-IBGZPJMESA-N 478.663 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286821309 HANABZOKHOHEEP-FPOVZHCZSA-N 460.600 2.626 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286827363 LRMPGPZSUOSYPT-LSDHHAIUSA-N 452.602 2.851 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCSC1 1286976743 GJXCSSQEEDNDLB-YVHKJVDXSA-N 476.672 2.512 30 10 JFEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1287085645 FMDKLMMHCGXTCQ-GSTQUKTASA-N 470.643 2.523 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCSC(F)(F)F 1288154378 GPBDSZQDAQMYSZ-UHFFFAOYSA-N 467.521 2.868 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc([C@@H](C)OC)n1 1300305449 VQDPHPRMRHJKTA-HUUCEWRRSA-N 463.567 2.862 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300482694 GYSOHDYDVBKTDN-REWPJTCUSA-N 499.681 2.590 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1300483760 LVGSFQZZIRSBNX-UYAOXDASSA-N 491.633 2.772 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1300684084 XBGMQUAQOZLQCG-VXKWHMMOSA-N 490.574 2.838 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1300760834 HSQSWZSBBAJLJZ-JOCHJYFZSA-N 467.639 2.738 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCOCC1 1300788546 CZXDBHYDQRBOJG-IIBYNOLFSA-N 461.408 2.759 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1300935696 YDBXYXNNZLCVNB-LJQANCHMSA-N 469.615 2.889 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301019500 UXQWLKCVCYMOLH-BLLLJJGKSA-N 455.788 2.945 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1301040448 FVFDVJBNIINYQM-CABCVRRESA-N 499.424 2.836 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301146231 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C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359287426 CLTZJSYPNVRSJH-KRWDZBQOSA-N 491.662 2.776 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCCC3)C2)cc1 1359306920 VDJGYSDMCTZNFB-SFHVURJKSA-N 475.615 2.651 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359336252 JPRQKMXVMMZCRT-KRWDZBQOSA-N 473.599 2.504 30 10 JFEE Cc1ccsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1360956058 HXYFQOSPLFULMQ-VQIMIIECSA-N 486.623 2.756 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 1445326730 RBISRCRMNZHYQT-LJQANCHMSA-N 453.564 2.907 30 10 JFEE C[C@H](c1ccccc1)N(C)C(=O)CN(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1460003817 HLIBDBZSQWIYCM-TZIWHRDSSA-N 453.612 2.608 30 10 JFEE COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1463628341 HKHZBYOAYJCYSH-GOSISDBHSA-N 451.907 2.837 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](C)C2)C1 1502482297 HLNLSQSNJYXPGX-FBBABVLZSA-N 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C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540915872 OVRFYCQNYZUGIN-ROUUACIJSA-N 491.662 2.526 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCCC2)nc1 1541118693 FWASKSHFRKXDHW-LJQANCHMSA-N 450.591 2.820 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1=O 1541558240 BFANPYFTKCFXQQ-YTTGMZPUSA-N 456.616 2.669 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccnc(OC2CCOCC2)c1 1541664335 DERJUSHYLPYUBL-DEOSSOPVSA-N 467.574 2.547 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCCc2ccc(Br)cc2F)c1 1543375336 SETVRWBKNXSOKI-UHFFFAOYSA-N 453.333 2.862 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1548307436 BPUNTBCYQCPZCN-UHFFFAOYSA-N 490.593 2.625 30 10 JFEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccc(F)cc1 1548371032 CSBDEJJVWXPLSR-FQEVSTJZSA-N 478.446 2.810 30 10 JFEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCCC2)C1 1554428647 HITGSMYRVSGKFZ-NRFANRHFSA-N 479.629 2.956 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C)cc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588029457 IGAMFAHDUCOTBK-RBBKRZOGSA-N 485.654 2.612 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1588550050 GVCDGEDLXAXVQE-LJQANCHMSA-N 453.543 2.597 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCOC[C@@H]1C 1588594201 GXLRSVYNJGIKMX-MOPGFXCFSA-N 457.644 2.938 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1588696056 KRNXRLVJSDAODX-RCZVLFRGSA-N 465.554 2.543 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1588812152 PUJPUPFTVZVOHO-QFIPXVFZSA-N 464.614 2.960 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)c2ccsc2)CC1 1588837575 YPLFGRMVWCBZDS-QHCPKHFHSA-N 457.550 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1588947097 LEYDIVMWPSYTJH-XIFFEERXSA-N 473.618 2.521 30 10 JFEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1589027393 NOTILJGTCSAAQO-HSZRJFAPSA-N 457.600 2.809 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589559941 VPZYENKHEIQKIJ-GGPKGHCWSA-N 450.630 2.925 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1589568334 JIEGDKPDGSSCDP-IECBHUPTSA-N 469.586 2.939 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1589571182 XZDMPGRLTVTGKB-WSUBETFTSA-N 469.586 2.809 30 10 JFEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1593757798 OHTIYCRAFHBGBJ-LJQANCHMSA-N 457.600 2.956 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OCCOC)C1 1593872793 LLBSREPCZSUPET-MRXNPFEDSA-N 458.950 2.576 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1594193286 QCBPJDGFEHQHJM-AEFFLSMTSA-N 482.651 2.690 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(OC)OC)c2)CC1 1594236719 GZFQFRWEKWTEBH-HXUWFJFHSA-N 460.600 2.922 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccc(OC)n2)CC1 1594521233 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481.424 2.588 30 10 JFEE C[C@H](NC(=O)CCN(CCO)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2368588170 FTMOKVJWQQMNPW-KRWDZBQOSA-N 462.396 2.783 30 10 JFEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCc3c(C)noc3C)cc2)c2ccccc21 33272768 VJQBCGSYYCBHIT-UHFFFAOYSA-N 458.518 2.975 30 10 JFEE CO/N=C(\C(=O)NN1C(=O)/C(=C\c2ccccn2)N=C1c1ccccc1)c1csc(NC(C)=O)c1 33421863 YGVOKKCQCPIFOS-FDKTUKQMSA-N 488.529 2.813 30 10 JFEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])cc1O 59040045 BFCAQXVPAQXJHA-LSFURLLWSA-N 491.917 2.935 30 10 JFEE Cc1ccsc1[C@@H]1C2=C(O)N=C(NCc3ccc4c(c3)OCCCO4)NC2=NC(=O)[C@H]1C#N 72461197 NFLVVIPAJOJPQH-YOEHRIQHSA-N 463.519 2.899 30 10 JFEE COc1ccccc1[C@@H]1/C(=C(/O)c2ccc3c(c2)OCCO3)C(=O)C(=O)N1CCCN(C)C 103228609 CTQHKNLSBBTAQP-RKKARLDVSA-N 452.507 2.840 30 10 JFEE CC[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)n1nnc(-c2ccc(Cl)cc2)n1 108860097 XGCXXRJOIQMUSI-IBGZPJMESA-N 450.934 2.950 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1cccc(OC)c1OC 169950279 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C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358973301 NICLDAMVBBTLME-UHFFFAOYSA-N 458.566 2.835 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1358991806 PGMAMYSLAYNTQI-HHHXNRCGSA-N 484.560 2.772 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(N2CCOCC2)c1 1358996097 RONODYWEQOJYAB-UHFFFAOYSA-N 460.607 2.982 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC=CO1 1358996664 NMBQJTOXHISINW-RUZDIDTESA-N 458.610 2.798 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1359004579 BXKCRLFVLWWMTB-IBGZPJMESA-N 450.543 2.822 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC=CCO2)CC1 1359041037 LTWGMTXFGNRRLB-AZUAARDMSA-N 467.545 2.868 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C2CC2)N(C)C)CC1 1359041926 MKRREGDHFVQFFW-OAQYLSRUSA-N 486.567 2.853 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCOc2ccc(F)cc2)CC1 1359043902 NGYJKGAYTPEEIW-UHFFFAOYSA-N 479.560 2.643 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1359046389 PWVYBUSJRDCZLT-UHFFFAOYSA-N 492.649 2.875 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359050219 JYDLRECIBOYYPC-KGLIPLIRSA-N 452.334 2.516 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359052758 ORRPMGLUIFTGMW-SFHVURJKSA-N 455.584 2.783 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)OC(C)(C)C 1359063395 QXNTYXZXGFKYNO-HSZRJFAPSA-N 453.547 2.832 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1359113543 KXIPTDGQPGEVIS-FQEVSTJZSA-N 478.638 2.711 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1359122170 BDKRVNNQTVUZNP-MSOLQXFVSA-N 458.567 2.596 30 10 JFEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 1359137504 RRWZFVPYRBLALP-OAQYLSRUSA-N 450.587 2.969 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1359151978 IKLXESPEVQDFIE-LJQANCHMSA-N 497.040 2.640 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359152511 ZDLZYIOMZXEXOS-ULQDDVLXSA-N 480.997 2.586 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359165087 GJDLIAARAFZTDY-IRXDYDNUSA-N 453.609 2.592 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1359189956 ZEPCVACSRYQCJO-VQTJNVASSA-N 481.663 2.609 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1359264802 QEGKNNCYGOMHER-LJQANCHMSA-N 489.671 2.818 30 10 JFEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359286322 IXNQLTDJAQQQHL-QGZVFWFLSA-N 463.586 2.992 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359287313 WORNSGUENRGYGO-QGZVFWFLSA-N 467.636 2.982 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 1359310732 FDFHUHJQEVUTGC-ZDUSSCGKSA-N 487.914 2.749 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359334748 PMQBYQDZSBADII-SQJMNOBHSA-N 488.654 2.829 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1359335057 YRLQPMDGJDOBTH-UHFFFAOYSA-N 471.627 2.539 30 10 JFEE C=CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1455922886 ASPWSBRPCRGXMP-UHFFFAOYSA-N 454.898 2.957 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 1469727736 BHORCLKGPVGDFC-KBMXLJTQSA-N 453.337 2.541 30 10 JFEE CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1OC 1477872606 ATLJRSAJFKYBTN-PXDATVDWSA-N 452.555 2.812 30 10 JFEE CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)s1 1498238732 CIFUUMCETPQBTO-OAHLLOKOSA-N 473.628 2.891 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)c1ncc(C)s1 1507606201 DHVIVXQTZXONIW-HNNXBMFYSA-N 458.613 2.833 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1507632931 BOZSWICUROTQAD-QFIPXVFZSA-N 473.618 2.509 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507634290 JJNYCELOHXXAMN-GMAHTHKFSA-N 499.681 2.625 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N1CCN(CC)CC1 1507707169 TZXWEZSJCCXGLR-IBGZPJMESA-N 489.462 2.820 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2SCCc3ccccc32)CC1 1507740895 HCLPIRFDBMRTSF-OAQYLSRUSA-N 453.612 2.811 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(OC)nc2)CC1 1507741128 VCEVYYCRPDWSAU-UHFFFAOYSA-N 472.593 2.871 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)COc2ccccc2OC)CC1 1507741148 MSMPFJZLFPGKCU-AUSIDOKSSA-N 481.597 2.819 30 10 JFEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507757729 XVYVZZKZWYSEIH-UHFFFAOYSA-N 484.651 2.766 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1507764935 XANDJZNLLMQAKI-JOCHJYFZSA-N 474.583 2.540 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1507810768 YDEWBMUHGMHDMZ-OFNKIYASSA-N 480.569 2.988 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1507916559 RSMATGVBMLPMPX-FQEVSTJZSA-N 489.690 2.580 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@](C)(C#N)C1 1508088549 GRPHXJMUJQNSRL-XMMPIXPASA-N 471.606 2.825 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(C)(=O)=O)C1 1508118295 RHPKHDINQGLDJE-NVXWUHKLSA-N 450.630 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@H]21 1508142254 RPLHYEICXBKVNV-IPMKNSEASA-N 479.647 2.982 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC(F)F)c2c(C)cc(Br)cc2C)C1=O 1520463536 LHCUAELTCMNHOR-UHFFFAOYSA-N 458.259 2.641 30 10 JFEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539115396 AAMAQTQAJRNJFF-LJQANCHMSA-N 475.597 2.829 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccn(CC)c1=O 1539176924 WAYIETQODJZDLN-UHFFFAOYSA-N 454.575 2.692 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539224489 HLSIUZDEBDODNU-WOJBJXKFSA-N 463.673 2.533 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCCC1 1539325347 HNEUXRVXYJQRDM-QFIPXVFZSA-N 484.645 2.925 30 10 JFEE C#CCSCCn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539530682 LULFTKLAUOUUHL-JOCHJYFZSA-N 476.672 2.777 30 10 JFEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539579809 QDRVLTUYDQMEDZ-SQWLQELKSA-N 483.338 2.826 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539758046 BCFQFNSDNRKTLO-SANMLTNESA-N 496.612 2.881 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539758553 OLIRFFAZNQIBRZ-HSZRJFAPSA-N 496.612 2.833 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539848159 LVTZKZPHFOVRRD-VSKRKVRLSA-N 494.706 2.526 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccc(C)cc2)CC1 1539890207 JYXYBOZRDUDGOP-JOCHJYFZSA-N 489.642 2.791 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1540146884 LAOIUVOGPNVEJH-MOPGFXCFSA-N 497.687 2.926 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1540872997 JHXADVPBGUBIFM-GOSISDBHSA-N 452.946 2.877 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540875726 WGFXEMMTIRDRHO-LJQANCHMSA-N 458.994 2.877 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1540878564 AUOFECHIGOWUKL-VWLOTQADSA-N 463.586 2.715 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1540880905 TUPRELPAEFADNF-FQEVSTJZSA-N 490.626 2.629 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1540902134 BHCALNODQSULTB-ROUUACIJSA-N 465.645 2.922 30 10 JFEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540919371 PAJWNEGLAKLQFE-GOSISDBHSA-N 467.686 2.854 30 10 JFEE CC(C)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCCC1 1541242335 CJHMYYGTAPUQHS-JOCHJYFZSA-N 459.595 2.976 30 10 JFEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)c(=O)n1C 1542382976 FCCDVJZIYBXYIC-UHFFFAOYSA-N 471.487 2.557 30 10 JFEE C#CCN(C(=O)CNC(=O)COc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1543686325 YCWVMVKUZANGRL-IBGZPJMESA-N 457.324 2.930 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1545245916 AHYFJNYQNXNYMZ-ITEAAPOESA-N 477.610 2.786 30 10 JFEE CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1545945868 GCKXGQWTLMTGJR-JOCHJYFZSA-N 465.602 2.523 30 10 JFEE C=CCC[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1556585876 HHMFNENPHWEVKF-MOPGFXCFSA-N 458.584 2.556 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 1557535656 XRSXMOGBHYTPKS-AEFFLSMTSA-N 451.589 2.916 30 10 JFEE COCCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(Br)c1C#N 1561261444 HZWZAADJYOSGMP-UHFFFAOYSA-N 453.314 2.887 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccco1)N(C)C 1587615796 YLHLWYTUZANEKO-AEFFLSMTSA-N 455.588 2.592 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1588064622 LNCMTPRAISIXCW-OAQYLSRUSA-N 499.662 2.902 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCCS1(=O)=O 1588581644 ZFHBTQRUSYGHSY-UHFFFAOYSA-N 494.042 2.935 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1588638042 NOVWUSMPXYTWJA-FUHWJXTLSA-N 453.440 2.936 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(S(C)(=O)=O)cc1 1588697680 UZDBZVOEMKBUKH-NHCUHLMSSA-N 474.627 2.735 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OC(F)F)CC1 1588864951 NAKTYVRBQKIRMH-UHFFFAOYSA-N 486.548 2.675 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)CC)CC1 1588871386 BORLCGYCOXEDEQ-YTTGMZPUSA-N 457.644 2.678 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2cnn(C)c2)CC1 1588962122 VHPBRKAEIKUDAP-UHFFFAOYSA-N 489.624 2.806 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1589381759 HNZGRYVLFUIVMT-UHFFFAOYSA-N 464.265 2.666 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1589404002 FIGBXJMKZCWJRX-QRQLOZEOSA-N 495.466 2.508 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1589731779 WVHUZIXKXQSKII-FQEVSTJZSA-N 456.572 2.719 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593932725 OICCFSOIXQUTQA-LRAJWGHMSA-N 450.971 2.660 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1594454096 BPIYWFXCEYRVRC-XLIONFOSSA-N 472.615 2.940 30 10 JFEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1594646049 SMCSZGMZNIHKIE-UHFFFAOYSA-N 451.619 2.755 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F)C1CC1 1595054111 AURBYWUBOAVCLU-OAHLLOKOSA-N 471.505 2.719 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1595405103 CGRIFNQQHXXXHW-LJQANCHMSA-N 496.568 2.505 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2nccnc2C)CC1 1595477598 WKMDSPWDKJNUQZ-GOSISDBHSA-N 497.003 2.799 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1595490514 UQIFJGIPOZBZSO-INIZCTEOSA-N 473.379 2.684 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCSC)C1 1595715304 VCAXXKHFVCOZPM-INIZCTEOSA-N 450.634 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595773098 QGQYRDFYRVKLGK-HXUWFJFHSA-N 494.683 2.857 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@](C)(CC)C1 1595823532 OXWUPFZXBRSGNY-QHCPKHFHSA-N 457.600 2.887 30 10 JFEE CC(=O)N(C)c1ccc(S(=O)(=O)Oc2ccc(C#N)cc2I)cc1 1622081587 LQJQHPQDIJLPGL-UHFFFAOYSA-N 456.261 2.913 30 10 JFEE C#C[C@@H](NC(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1)c1ccc(Br)cc1 1636562522 MMRFSBBTLZORPY-JWIGPWBQSA-N 455.374 2.609 30 10 JFEE C=CCOc1ccc(CC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cc1 1643334458 BVOGOJCNIADWHI-NRSPTQNISA-N 471.554 2.835 30 10 JFEE C#C[C@H](NC(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1)c1ccc(Br)cc1 1658217195 ZWSZXGWXDGQGAZ-SFHVURJKSA-N 458.312 2.777 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)cc1 1667322071 MRAPXTUOWPAWJA-FQEVSTJZSA-N 458.584 2.898 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1689960972 GEIGEZRFQYDTLX-UHFFFAOYSA-N 450.934 2.855 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1689984842 WWWGDLBJBPGRNG-PMACEKPBSA-N 459.616 2.738 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1csc(CC)n1 1690003727 VWLJINKIYHJLBA-UHFFFAOYSA-N 481.651 2.881 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)OCCc2sccc21 1690034630 NPYRZSAXTGXPPS-ZEQRLZLVSA-N 454.596 2.943 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@H]2CC(F)(F)CO2)n1 1690109339 OGSREDBCCMQCOM-GOSISDBHSA-N 460.485 2.753 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1690142253 KNFYKOQASZZDIX-LJQANCHMSA-N 473.581 2.588 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2=CCCOC2)CC1 1690148270 AVOBFBLJMRCIPG-UHFFFAOYSA-N 453.974 2.835 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(=O)N(C)C)CC1 1690161480 HDMFCQSDFSYVSC-SFHVURJKSA-N 486.711 2.708 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ncnn1CC(F)F 1690250249 FHBJNPIVOVBWSE-DYESRHJHSA-N 458.517 2.738 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1690280104 XKGJCIHNRQGGTK-ZWKOTPCHSA-N 457.575 2.906 30 10 JFEE C=CCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690496825 ZPSWADURZBRFER-DEOSSOPVSA-N 451.575 2.878 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1690675945 KNEWNFSRYVWZLU-UHFFFAOYSA-N 482.629 2.761 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC([C@H]2CCOC2)CC1 1690675952 KWKWPJVMCHLEHE-NRFANRHFSA-N 453.587 2.975 30 10 JFEE C/C(=C/c1ccccc1)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1690755160 MQSQAKQLFMCIQD-IUHZTQFLSA-N 472.553 2.745 30 10 JFEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1693145571 GTDNLTOPWFWBGF-MJGOQNOKSA-N 464.492 2.779 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1694791802 HVMHZUPKWKRRDI-HXUWFJFHSA-N 452.559 2.529 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1705550031 QZTJXGSLALCFPU-QGZVFWFLSA-N 479.585 3.000 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1705562659 HJQDMLNGZYRTEQ-IBGZPJMESA-N 478.578 2.777 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1705591677 VAKTZSHZMYTGSB-FQEVSTJZSA-N 478.666 2.758 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1705642845 JLIVHHHIFGVWEP-HSZRJFAPSA-N 455.946 2.766 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1705648113 NYNMQEDFOIDNGB-GOSISDBHSA-N 465.598 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1705651142 LRJZFPRYTXLLDI-PMACEKPBSA-N 490.608 2.898 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1705651949 LSQBHMJYTMKTEH-IRFCIJBXSA-N 458.676 2.874 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1705674221 CBYXUHALWURGGB-LHSJRXKWSA-N 468.501 2.961 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1C 1705700671 XEKAJZDGZVWOME-SJBKTWHCSA-N 474.627 2.985 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705722509 PVLJTUSOLYIIKJ-AWEZNQCLSA-N 461.364 2.848 30 10 JFEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1705732817 JBYWRCLPIVMKGF-UHFFFAOYSA-N 470.599 2.558 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(ccnc2O)C1 1705739980 YDFVUDPMLOXDKQ-UHFFFAOYSA-N 454.556 2.526 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C 1705826879 MDNFUGDMXKEDAK-HNNXBMFYSA-N 478.391 2.976 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1705861631 KORLRNUXJQHIKZ-IBGZPJMESA-N 475.615 2.898 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1 1705863120 IKDLVSWUJJCSFM-CVEARBPZSA-N 453.609 2.973 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705897573 OYWRRKQZBJFVFG-OALUTQOASA-N 486.592 2.549 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1705906337 ARLSTWFTAGHYQY-LJQANCHMSA-N 453.305 2.908 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1705926899 NHCZIESQCYBDOY-MSOLQXFVSA-N 471.549 2.975 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705941172 AXLPBFMZYVJLQK-QGZVFWFLSA-N 463.007 2.740 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1722298494 CZEDEHMCTHXAPO-PBHICJAKSA-N 460.376 2.992 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722326036 QILBAVBGWAEZNW-NRFANRHFSA-N 458.360 2.846 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1722367933 YFXJAQAVJDVDMB-ICSRJNTNSA-N 483.569 2.822 30 10 JFEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1722371734 XVSXYCMFKUTMNM-FQEVSTJZSA-N 474.627 2.818 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1N(C)CCCC1(C)C 1722376599 VBJXINZTJGIUHI-HXUWFJFHSA-N 481.670 2.740 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2N(C)CCCC2(C)C)n1 1722428615 YXPYCLFCAKUFNP-QHCPKHFHSA-N 478.645 2.887 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(OC)C2CC2)CC1 1722447225 JOEIFIYYAVFAEB-RUZDIDTESA-N 471.552 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1722447478 IJNNUIITJFIZLX-OAQYLSRUSA-N 481.597 2.594 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722587266 IUBGDSZMDPOGAM-IBGZPJMESA-N 457.575 2.906 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722620085 IRPALFVWBGTGQD-UHFFFAOYSA-N 472.565 2.581 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1722714263 JLMJPGZSOUQKOD-DENIHFKCSA-N 469.590 2.661 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)C1 1722720222 IOWFXAPNGNBKIR-NJDAHSKKSA-N 458.651 2.938 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722735083 JRZWAMPJJIFOJX-OAHLLOKOSA-N 452.602 2.505 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCC[C@@H]1C 1723952065 IBAOECUDEAZSES-JENIJYKNSA-N 489.621 2.662 30 10 JFEE CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)SC 1727147028 ALQQXSGFJJUMGS-GOSISDBHSA-N 484.692 2.663 30 10 JFEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1728586356 HFTROFOZKZUDIB-NFBKMPQASA-N 451.619 2.848 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCCCC2=O)c1 1730993764 BOVQLESQOXLCFT-UHFFFAOYSA-N 484.626 2.881 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC(C)C 1740541050 QTQPCYRAROPQCE-HNNXBMFYSA-N 468.421 2.802 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(C(=O)NCC)CCC2)c1 1740564590 RPDPACPOIQIWIP-UHFFFAOYSA-N 485.592 2.627 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1740567765 VUBORPZJJQOWGM-NHCUHLMSSA-N 472.659 2.793 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1740627299 PDGTXIMPSSWWPW-LSDHHAIUSA-N 499.456 2.671 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(F)cc(OC)c1 1740652844 OWDGXUHLHWYKNA-UHFFFAOYSA-N 480.569 2.897 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740675496 DNOMVNOCROXLOC-HJOGWXRNSA-N 467.614 2.753 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740676431 CNBLWVZUNSABHM-TZIWHRDSSA-N 475.590 2.580 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC1(C(N)=O)CCOCC1 1740679213 PZYHWWDZKAVGAB-UHFFFAOYSA-N 467.570 2.991 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740710488 YECUEAQWXQKMRH-IBGZPJMESA-N 458.636 2.613 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740752372 VXGQLMUXTVFZLN-HDKOVMQUSA-N 475.634 2.952 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740761567 OGQHVTMAHHVIQH-NZQKXSOJSA-N 469.634 2.838 30 10 JFEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1740783248 ZLZPXNCKCCFMFJ-KRWDZBQOSA-N 483.585 2.600 30 10 JFEE C=Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1740829472 CETPKIHQDRLLHV-UHFFFAOYSA-N 457.538 2.837 30 10 JFEE C=CCCCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1740857983 ZMXAZAZWYBOOMU-CPJSRVTESA-N 492.665 2.836 30 10 JFEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740879127 AXCILAXLUSSVGL-IBGZPJMESA-N 475.615 2.836 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740894047 HHQBWKAOZNKHFN-GFCCVEGCSA-N 460.423 2.673 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](C)C1 1740991103 OOBQUMBZHXPPNG-MRXNPFEDSA-N 456.572 2.821 30 10 JFEE CC(C)C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N)N(C)C 1741419596 DVJUKSJAABWZEA-QZTJIDSGSA-N 460.652 2.953 30 10 JFEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1C 1742273045 HQIQVBHHJZPKQU-RUZDIDTESA-N 469.609 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2.953 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCc2ccccc2C1 1539291538 SEDUJIBXVCEPDR-UHFFFAOYSA-N 467.577 2.837 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC[C@H]1CCOC1 1539326718 YSQYWHQTQBEJAP-OFNKIYASSA-N 450.539 2.697 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)OC(C)(C)O2 1539400838 MECLTVKVAMWGTL-RUZDIDTESA-N 470.570 2.960 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539624386 SLPWMNVMAYBBJG-NRSPTQNISA-N 459.616 2.692 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539717559 HBWJNBGHRIJNDB-QFIPXVFZSA-N 484.645 2.673 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 1539848974 SFXPQYACHBZRTM-FQEVSTJZSA-N 484.601 2.798 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540140513 XLDBVEYJAFLHPM-QGZVFWFLSA-N 486.564 2.934 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1540884198 LVHTVHRILOWCED-RDPSFJRHSA-N 470.574 2.639 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540899951 FXYVPHNEZURLQY-KRWDZBQOSA-N 476.006 2.712 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1540905558 XFSDYETTZKPTSY-OAQYLSRUSA-N 499.641 2.528 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](CC)C1 1540907352 TULRHIDXWPOTJZ-QGZVFWFLSA-N 499.431 2.836 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1541117219 AZVJQGAPFVSZKT-YYWHXJBOSA-N 468.556 2.950 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2COC(=O)NCCCC)ccc1F 1544484098 AYRLJBSIMQCIBK-KRWDZBQOSA-N 455.552 2.811 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc2cccc(Cl)c2n1C 1545928637 FXSDPLZHBYSIAZ-OAHLLOKOSA-N 470.965 2.514 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1548327802 BLPBNLDTCPSXHP-UHFFFAOYSA-N 462.595 2.810 30 10 JFEE CCn1cc(S(=O)(=O)N2CC[C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@]3(COC)C2)cn1 1548366067 ZLYPTISIAJBYLD-DYESRHJHSA-N 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464.518 2.913 30 10 JFEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)N3CCc4ccccc4C3)n[nH]2)c1C 1084411588 ZXPYMSURQAJYHJ-UHFFFAOYSA-N 450.572 2.927 30 10 JFEE COc1ccc(C=NNc2nc(SCC(=O)n3nc(C)cc3C)n[nH]2)cc1OCn1cccn1 1084470188 YMBZCBQZUSMWCE-UHFFFAOYSA-N 481.542 2.738 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1138055461 ZAYIXLBJSRPPOU-GJZGRUSLSA-N 456.923 2.724 30 10 JFEE C#CCN(CC(=O)Nc1nc2ccc(I)cc2[nH]1)C(=O)OC(C)(C)C 1167696136 LTYOPWSEKNYAIZ-UHFFFAOYSA-N 454.268 2.976 30 10 JFEE N#CCCN1CCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)CC1 1171874453 FUZHHPPKEDMKLW-UHFFFAOYSA-N 457.254 2.720 30 10 JFEE C#Cc1cccc(CNC(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1230084542 BRFGDRXDSZXLDI-NRFANRHFSA-N 454.571 2.669 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1286324339 ONQKBGRNKDMZIF-NRFANRHFSA-N 475.659 2.603 30 10 JFEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286340309 ZJBRXRNDRBZXAG-SZPZYZBQSA-N 473.625 2.857 30 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C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1286484181 JSKJEMWFBOVNSK-QFIPXVFZSA-N 454.594 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(SC)CC2)CC1 1286486779 BCSCRIKBQYDLIQ-UHFFFAOYSA-N 491.459 2.908 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286612755 XUWDNLSYQQJFJS-FQEVSTJZSA-N 453.543 2.845 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 1286630484 SRZSXKYBLDINSO-QGZVFWFLSA-N 463.970 2.808 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286668480 RNLHBQOUDGTQSC-OAQYLSRUSA-N 497.669 2.974 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286710765 CWOBSBPKHNFKJV-GBXCKJPGSA-N 481.645 2.620 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1286757417 NHEHIWBEDPLNQI-INIZCTEOSA-N 471.505 2.743 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286771755 NUPZMYOIECXAFK-ZDUSSCGKSA-N 472.384 2.798 30 10 JFEE C=CCn1c(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1286777569 GSNUNLRZPJRJQA-DEOSSOPVSA-N 457.550 2.537 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1286789130 AZYHBRNEWIKIHY-UHFFFAOYSA-N 496.637 2.967 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(SC)CCOCC2)C1 1286799367 VIDSATOMHSIMHV-KRWDZBQOSA-N 458.588 2.619 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C(N)=O)CCOCC2)C1 1286801693 FZRSLMFYALFYTN-AWEZNQCLSA-N 496.431 2.833 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cnnn2C)C1 1286804048 IGCSCQVEHZXDNX-HNNXBMFYSA-N 462.327 2.805 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)N(C)C)C1 1286810539 SNOBWXQDNJXFPB-NJDAHSKKSA-N 490.649 2.708 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2c(F)cccc2F)N(C)C)C1 1286810551 SQYWTMUGQRSDSW-MBOZVWFJSA-N 495.596 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1286824397 CFKNYCQPLNUMMH-LAUBAEHRSA-N 495.596 2.892 30 10 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487.486 2.864 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(F)c(F)c2)CC1 1300719611 ISVMEPKZSDKOJI-UHFFFAOYSA-N 468.508 2.607 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)c2nc(C)cs2)CC1 1300729282 UCIMYSXOSHQXRB-INIZCTEOSA-N 480.642 2.674 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1300768542 TTXZXQXEWBPYSO-NTKDMRAZSA-N 456.612 2.823 30 10 JFEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300829814 LCONJYFDJBWPPZ-OAHLLOKOSA-N 479.766 2.980 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1300870589 UUDXIOWIQBGWQC-RXVVDRJESA-N 460.600 2.948 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300872642 GJXFZRLMUIAPJZ-GMAHTHKFSA-N 458.651 2.907 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1300989833 RISYWYFOVQLMLB-LJQANCHMSA-N 456.547 3.000 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300992297 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C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1593695776 HZCXJICNLKZJLN-UXHICEINSA-N 487.004 2.702 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1593763229 DYWGNZAUBUJRHX-HSZRJFAPSA-N 475.615 2.637 30 10 JFEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@@H]1CC 1594572598 HGMXJEVWXATYAK-KRWDZBQOSA-N 459.620 2.618 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nccc(C(F)F)n1 1594866189 AUYUHKQKRGJEMX-UHFFFAOYSA-N 462.530 2.945 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1595261218 PASZTQPXHZLFNA-LJQANCHMSA-N 477.612 2.549 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595501011 JCMPOQUORXZEJQ-IBGZPJMESA-N 452.603 2.849 30 10 JFEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1596377627 GIYPYMNJKXRTSQ-UHFFFAOYSA-N 465.602 2.863 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\Nc3ccc(C(N)=O)cc3)C(=O)C[C@H]1C)C2=O 1615246875 IOQABIFNXMKDMH-SKASEMDNSA-N 484.892 2.944 30 10 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C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1690154517 QJIYWVJTAGPHPW-UHFFFAOYSA-N 493.536 2.847 30 10 JFEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690167502 KFFAOHODUHOJHC-UHFFFAOYSA-N 464.599 2.530 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)C)C1 1690174331 BLTBLZCATMFFCO-MOPGFXCFSA-N 479.647 2.814 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1690231572 HAWOEYAESMQNSE-UHFFFAOYSA-N 490.402 2.932 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690306754 DSVZKPWBWFMBDO-QGZVFWFLSA-N 458.588 2.721 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cccn3)c2)CC1 1690396470 CPOLXYIPYPQSIO-SFHVURJKSA-N 469.615 2.584 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 1690441545 AIUFSMIEXFURKF-NIYFSFCBSA-N 493.612 2.591 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690495486 BOPZYKPLMVZXRA-UHFFFAOYSA-N 455.607 2.837 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1690574335 WWBBSVXREPGAGG-UHFFFAOYSA-N 490.630 2.964 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1690672819 FFLSSOTUBVWSPZ-JOCHJYFZSA-N 451.619 2.659 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C 1690678051 JHOIHTNQJJEUJR-IKGGRYGDSA-N 464.636 2.983 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2n[nH]c(C)n2)C1 1690699401 DWGAFKQOESTDJC-LJQANCHMSA-N 486.621 2.843 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)CCc1cnccn1 1690720407 HYPRHTNPIFKLGR-UHFFFAOYSA-N 463.567 2.563 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1 1690725439 PSKPXZMFIKGOJH-QHCPKHFHSA-N 462.616 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690729184 IJRYDKUKIVYKQS-CTNGQTDRSA-N 460.600 2.772 30 10 JFEE C=CCSCCn1c(C(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1690734146 WSLHSNLYCLXIOT-UHFFFAOYSA-N 459.645 2.712 30 10 JFEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1692666781 FPXXCDNECAPFQS-RUZDIDTESA-N 495.672 2.721 30 10 JFEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1693507221 HOMTZXKCJADUNS-SFHVURJKSA-N 453.591 2.941 30 10 JFEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN(C)C(=O)OC(C)(C)C)CCOC1 1696025682 AVZRPYRBDNVXLT-JTSKRJEESA-N 450.584 2.926 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)C1 1697061623 HNPHXWFQNHVXAV-GAJHUEQPSA-N 467.551 2.697 30 10 JFEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(N3CCOCC3)CCSC2)cc1 1697397958 CODLBRZLENNJPY-NBGIEHNGSA-N 484.670 2.876 30 10 JFEE COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1697443478 HSBVZOGMUVAYPI-INIZCTEOSA-N 473.331 2.830 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccnc1OC 1705500452 NKBPNKDBQLILCD-NRFANRHFSA-N 459.598 2.553 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705560102 DETZQVQVNCQDAP-XJUOHMSHSA-N 499.681 2.948 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705562594 GDXQIJLZTPHLRK-UGKGYDQZSA-N 457.644 2.865 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562884 LYEOBIRUBISDHZ-TZIWHRDSSA-N 499.662 2.945 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705565162 SVMIOGPSLBQPEX-OAQYLSRUSA-N 479.606 2.917 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705569830 KKTXXXGFBWWLBN-CTNGQTDRSA-N 475.684 2.822 30 10 JFEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nnc2n1CCC2 1705585203 NWWDFUIZZOSEEA-UHFFFAOYSA-N 463.973 2.910 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCNC(=O)C1CCC1 1705592301 UDIMIPRPSJTKTE-UHFFFAOYSA-N 471.403 2.815 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(=O)N1CCOCC1 1705601427 IQEZFEZNQDLLHZ-UHFFFAOYSA-N 463.582 2.611 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCNS(=O)(=O)CC 1705607768 PTIHZGNYGAVTGZ-UHFFFAOYSA-N 460.423 2.558 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1705640205 ISFHNMZXLGRASM-UHFFFAOYSA-N 477.531 2.594 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccnc2OCC(F)F)CC1 1705642929 MQXGKMMXEFGWEC-UHFFFAOYSA-N 486.498 2.839 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCCCCC2=O)CC1 1705650467 RENVKYOPTDFFAW-UHFFFAOYSA-N 482.654 2.689 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705656918 NFDGNCSGLVHQDG-HXUWFJFHSA-N 468.627 2.950 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705662843 MZAYMAGLTAUQRL-NRFANRHFSA-N 482.654 2.826 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCNC(=O)CC1 1705709800 SCEMFCXCBYENAJ-MBSDFSHPSA-N 455.559 2.563 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705723064 XUXPHIFIIBDFQP-OAHLLOKOSA-N 455.531 2.888 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1705763029 NPCOCTBBZAOTOE-OFNKIYASSA-N 455.603 2.773 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1705780289 DCEPMLNRXBNGFE-KRWDZBQOSA-N 479.507 2.591 30 10 JFEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705816660 NYUOTLGIQQRUER-UHFFFAOYSA-N 462.602 2.744 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1705830576 SKAGRHOBQOEGNL-VQTJNVASSA-N 478.638 2.710 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1705879810 MEGJKWIYALKCSM-UHFFFAOYSA-N 470.574 2.707 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705888546 FGBWOEBGBBTKCU-SFHVURJKSA-N 465.558 2.936 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@](C)(C(=O)NC)C1 1705896418 MCTMEMRKSNQQOU-FQEVSTJZSA-N 495.809 2.626 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1705896877 ARKONVXRYHMLDN-HXUWFJFHSA-N 480.613 2.786 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1705905835 IPIARQAVNWJIAE-FQEVSTJZSA-N 452.946 2.797 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705939397 WRWCCIKDQKIETG-UHFFFAOYSA-N 459.601 2.780 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Cl)cn2)CC1 1706156305 HZFCNDMMHSBBFA-GOSISDBHSA-N 490.996 2.671 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@H](C)C2)c1 1722305744 LNSZTTJQYPXCJZ-UYAOXDASSA-N 487.564 2.797 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722332459 LJLQHQIMRWRRST-ZCNNSNEGSA-N 458.607 2.673 30 10 JFEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1722339330 SSJCPRLFLHQAKD-KRWDZBQOSA-N 469.977 2.717 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722359711 PRCQVNYDMPXZGY-SFHVURJKSA-N 458.515 2.691 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](CC)N2CCCC2)CC1 1722450525 LKZMOJJYGBKIML-OAQYLSRUSA-N 482.604 2.836 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@H](C)CC 1722473304 CMZVXKYIKUJTIM-KBMIEXCESA-N 464.618 2.749 30 10 JFEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722532160 DHXKTZXTGIIVSO-QGZVFWFLSA-N 486.598 2.590 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCCS2(=O)=O)C1 1722713557 FKCQPTUMLSQYAY-DLBZAZTESA-N 498.447 2.795 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)c1 1724256909 CTHDAWLDBOJTJP-SFTDATJTSA-N 468.602 2.738 30 10 JFEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCNC(=O)C(C)(C)C 1729029353 CMNIOJKZDSCHDJ-UHFFFAOYSA-N 454.575 2.896 30 10 JFEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1730776278 IEMGWDPNTKNAOX-IBVKSMDESA-N 493.612 2.772 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCCc2cnn(C)n2)c1 1740564226 FNRRDJPJIHJHIJ-UHFFFAOYSA-N 474.594 2.748 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCCS(C)(=O)=O)c1 1740564518 PNLGWSHSILLJEE-UHFFFAOYSA-N 457.600 2.502 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740565496 BDCIGLQDISIMDY-QFIPXVFZSA-N 482.610 2.946 30 10 JFEE 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C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1359334208 XBVCNXUZWGQFKV-UHFFFAOYSA-N 499.597 2.724 30 10 JFEE CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1360830238 ICRGQWZRQOSYQH-UHFFFAOYSA-N 452.603 2.916 30 10 JFEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)Cc1ccccc1 1460071949 ONWVPRLZTOFPAJ-BGYRXZFFSA-N 455.580 2.558 30 10 JFEE CCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CC(=O)Nc1ccccc1 1467375221 CLVCNPKWYPOHNT-ROUUACIJSA-N 456.568 2.881 30 10 JFEE C#CCN(C(=O)NC1CCN(CCOC(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1469243699 SWIJZFHBLNGHES-UHFFFAOYSA-N 450.624 2.920 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(F)(F)F)cc3)C2=O)c1 1472980097 YXPOHNIUWRAGMX-NRFANRHFSA-N 458.396 2.802 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507564816 XHYFBUXQZBKITH-UXHICEINSA-N 470.618 2.911 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507630353 XHZDBKRTBZKMRH-OALUTQOASA-N 493.029 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C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1539432183 YOKWBPRFRSAVEG-RBUKOAKNSA-N 456.566 2.617 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccccc2C)CC1 1539468642 HANBPHPACHZRLZ-HHHXNRCGSA-N 495.624 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2nnc(C)s2)CC1 1539483288 VPGQXBOTWQUVNJ-UHFFFAOYSA-N 484.029 2.891 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539635938 INCCJJGGNWAFLO-UTKZUKDTSA-N 494.687 2.523 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1540908930 SAJLZWBVVJDWPK-MRXNPFEDSA-N 483.660 2.747 30 10 JFEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)CC1 1540912756 BYQPKDDNJRSHMG-UHFFFAOYSA-N 477.704 2.935 30 10 JFEE CCCC(O)(CCC)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1546923726 HQYFWKUPTDLKGW-UHFFFAOYSA-N 461.574 2.660 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC)CCOCC2)C1 1547780271 HRRFVUCVFUYSQT-FQEVSTJZSA-N 472.615 2.542 30 10 JFEE C=CCN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)[C@@H](Cc1ccccc1)C(=O)OCC 1556204889 HIONVEQSCHHFLJ-CEWLAPEOSA-N 454.548 2.880 30 10 JFEE C=C(C)CN1CCC(NC(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 1565627684 WMOYZMCBWOVLOV-UHFFFAOYSA-N 451.308 2.903 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CSCCS1 1587639039 JDPYHAPLYJNMFT-YESZJQIVSA-N 467.661 2.893 30 10 JFEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1587856386 KOADEHXRTDJFOA-NRFANRHFSA-N 450.587 2.573 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)c3c(F)cccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1587893253 AGYYEVCEFNUYGM-DEOSSOPVSA-N 473.524 2.584 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588034526 IDGFXNZGWRWKCD-GOSISDBHSA-N 488.411 2.721 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1588054227 MCSZNHRKBOWMEL-BJKOFHAPSA-N 499.681 2.689 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588069864 UJTGHLPAEUZBIB-QFIPXVFZSA-N 481.622 2.928 30 10 JFEE 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C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1286673464 CHUOWGYXWSPYPN-JOCHJYFZSA-N 479.673 2.912 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1286701163 WCGIMCKBIDXQGW-GOSISDBHSA-N 490.626 2.777 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1286741593 PFCGCEGEPRYDJL-UHFFFAOYSA-N 484.601 2.903 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F 1286788621 ZVVNGQNFOIGXRF-OAHLLOKOSA-N 456.538 2.786 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(C(=O)OC)CC2)C1 1286813630 YOOWNROGZRXHRH-GOSISDBHSA-N 488.614 2.529 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1286813688 ZWHFWABPZPGHTI-IFMALSPDSA-N 489.642 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1286825514 RRKSNXVEWZACRF-QGZVFWFLSA-N 464.613 2.891 30 10 JFEE CC(C)(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 1287073368 FGCVFRVAYMCYAQ-UHFFFAOYSA-N 495.609 2.519 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HQABIOIMVLFLII-APWZRJJASA-N 472.590 2.964 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300843379 AOVSVZKOGXGNFY-OAHLLOKOSA-N 454.394 2.961 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1301390875 OZCXSPQKOGHBDV-GFCCVEGCSA-N 478.928 2.813 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301434355 LHFKUUOULMTGDF-UHFFFAOYSA-N 459.396 2.678 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1301436117 OFKBODOGOHFHHC-KRWDZBQOSA-N 485.614 2.924 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1301593639 RRJQMGIOOUGCRM-IYBDPMFKSA-N 454.980 2.725 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 1302946759 FVPQHXJJKPKTLV-UHFFFAOYSA-N 493.637 2.663 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)c1cccc(OC)c1 1305521971 GAVRZTUYZLUYGM-LJQANCHMSA-N 488.596 2.823 30 10 JFEE COc1ccc([C@H](C)CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1315369984 FDQYPUXCBBHAQP-ZOCZFRKYSA-N 464.567 2.533 30 10 JFEE C=CCc1cc(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc(OC)c1OC 1351766737 XMRDWKSICZRAOB-UHFFFAOYSA-N 453.451 2.924 30 10 JFEE C#CCN(C(=O)Cc1c(C)[nH]c2ccnn2c1=O)[C@@H]1CCOc2ccc(Br)cc21 1353634706 NBENQLYSHVWVOB-QGZVFWFLSA-N 455.312 2.622 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)c(O)c1 1358889897 ILLKQHIBWNLKCP-WMZOPIPTSA-N 471.558 2.807 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1358906964 YYIMRLFUKBZTKK-QFIPXVFZSA-N 450.543 2.868 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1358986374 VOHRFEQFEMOPDG-NAKRPHOHSA-N 491.636 2.855 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1359016003 LWXMDLVXTATEMA-GJZUVCINSA-N 483.588 2.968 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cnnn1C 1359020552 HPNNLSHNHDMBJY-UHFFFAOYSA-N 464.755 2.624 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2C)n1 1359027813 WYAVERKRKUXESO-NFBKMPQASA-N 473.581 2.972 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSC(C)C)CC1 1359046159 GXOZVMBNFOLRPQ-UHFFFAOYSA-N 465.627 2.624 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359088212 DWSMNZDPCMTPKD-APWZRJJASA-N 466.384 2.660 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359097249 MQDHXIMHETZLQR-PZJWPPBQSA-N 474.631 2.572 30 10 JFEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359124727 ALSTVOTZXBLFAB-AQNXPRMDSA-N 489.665 2.662 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1359264220 YQJJGJRBQQRKPE-UHFFFAOYSA-N 466.615 2.794 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1359272206 NKLJUEBCTLDSGU-UXHICEINSA-N 479.647 2.671 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359292233 KVAPDLGSVMSMKQ-XVUKRAOGSA-N 469.586 2.716 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCNC(=O)C(C)C)C1 1359322546 YDLZVDVMAPEYPI-RXVVDRJESA-N 455.559 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1Cc1ccccc1 1359326850 LEFNIIFZZPJJEO-FQEVSTJZSA-N 480.594 2.738 30 10 JFEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1359841178 FOIUDUCNRSRHAW-HSZRJFAPSA-N 484.670 2.885 30 10 JFEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1nccs1 1360540046 DBPCKXGFJKPVFO-SJLPKXTDSA-N 485.639 2.843 30 10 JFEE C#CC[C@@]1(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1441208162 YXXCOSVFUZPELF-VWLOTQADSA-N 458.578 2.857 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)c2ccc(Br)cc2)cc1 1453884375 WIFZWJZTVREILB-UHFFFAOYSA-N 457.296 2.882 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C 1460781075 LMNRSFCCGPURJF-MOPGFXCFSA-N 463.332 2.675 30 10 JFEE CCCc1c(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)cnn1-c1cccc(C#N)c1 1467252056 FWYNAGROUGLJEF-UHFFFAOYSA-N 459.478 2.892 30 10 JFEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 1493696148 IABBWGIWYBXEST-WOJBJXKFSA-N 499.685 2.797 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCN(C2CCC2)C1 1494477374 GMADZPRNKBTARH-FQEVSTJZSA-N 479.629 2.908 30 10 JFEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1505123160 DBHSVUCNYGHXOZ-IBGZPJMESA-N 498.634 2.712 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507520511 DEOIBSOEZYHMNN-XKGZKEIXSA-N 472.571 2.515 30 10 JFEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507591554 QEYQJBVFXAYHJC-UHFFFAOYSA-N 465.583 2.998 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCc1cnc2c(Cl)cnn2c1 1507658207 HAMHEFWRPCZOOD-UHFFFAOYSA-N 466.977 2.598 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)COc2ccccc2OC)CC1 1507737674 BUDVBRBTTHXWET-UNMCSNQZSA-N 495.624 2.862 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1507803310 GLONWDFWFYTBQS-DPLHUUCSSA-N 453.587 2.964 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507844239 FUCGSMJWNWWDMK-QGZVFWFLSA-N 461.592 2.819 30 10 JFEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507864152 RPHHTOWPDNZZDX-CYBMUJFWSA-N 450.927 2.862 30 10 JFEE C=CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507954667 XAVPKJGZRYFPNU-ZCNNSNEGSA-N 488.633 2.843 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1508038051 OCTWGMSGNLTOAQ-RTBURBONSA-N 463.604 2.690 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508071993 AKFWNYIYOREQMF-MRXNPFEDSA-N 474.993 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1508136961 JMRZYBJCUTVCGY-UHFFFAOYSA-N 466.611 2.884 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCN(CCC)CC1 1508144161 CEPGTDKBLAPEID-JOCHJYFZSA-N 489.642 2.702 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508149605 CEVRFAPMKUOZFW-UHFFFAOYSA-N 496.618 2.803 30 10 JFEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1512549748 ACNMUDYUDXAIIZ-PZJWPPBQSA-N 495.628 2.888 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)n1 1525225376 PSZQQTMBZYYGFC-UHFFFAOYSA-N 458.584 2.752 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC2CC(OCC)C2)c1 1539038295 NUAJXXWIGBPURQ-UHFFFAOYSA-N 478.597 2.776 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(OCCO)c(OC)c1 1539177208 ZTXZPHHJEKSABY-HXUWFJFHSA-N 499.612 2.890 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539211315 HHGCIIPUOGXUIJ-SFHVURJKSA-N 470.551 2.539 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1539213142 WLRDOOWWCAMXMP-KRWDZBQOSA-N 476.574 2.871 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccnc(OC2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 1539230625 JJPWIHIKQSFAOL-FQEVSTJZSA-N 487.626 2.596 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCCCC2)CC1 1539428315 QDJBUBCIFXSBHJ-UHFFFAOYSA-N 463.630 2.778 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539518790 AKMBUZPSBREFTG-UHFFFAOYSA-N 474.581 2.851 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccnc1C 1539655652 OFNDCNSRHLUSOH-UHFFFAOYSA-N 469.615 2.939 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2cc(Br)cn2)CC1 1539870946 DSQGBFQBRWEYND-UHFFFAOYSA-N 450.385 2.868 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1540119032 DARGQVWMQAUHKF-IBGZPJMESA-N 454.575 2.593 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1540858342 RTCLTNGPDQTTRQ-RTBURBONSA-N 474.606 2.515 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540874954 XANUDLVNKDEWDE-NBGIEHNGSA-N 469.586 2.550 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2COCCO2)C1 1540886421 CPPVBBKSIGTVIN-UXHICEINSA-N 458.559 2.938 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccn2)C1 1541201179 BIZQGYANZVSJCW-AZUAARDMSA-N 467.574 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C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722505821 CMEGCNCEBMHYMB-NZQKXSOJSA-N 460.667 2.838 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1722536448 DTLWHOAZIYNSHQ-FQEVSTJZSA-N 487.626 2.628 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 1722538010 SNXJQSPJGAGEOM-NHCUHLMSSA-N 490.649 2.506 30 10 JFEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722568769 ZIAHUCYVHAXDLQ-HXUWFJFHSA-N 459.616 2.912 30 10 JFEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722627914 STNKPSVOTBJHEP-DVECYGJZSA-N 453.543 2.706 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722665983 DJJLJOFLHYKOMY-GBESFXJTSA-N 474.606 2.619 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](COC(C)C)C1 1722693962 GTXSKCWBXYUMQI-SFHVURJKSA-N 492.418 2.948 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1722694204 OGQXHWNBYYCWEW-HNNXBMFYSA-N 497.463 2.618 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1722696967 VRIWEBGILJYWED-UYAOXDASSA-N 481.601 2.772 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1722705485 DGHFBWBLAUZYHL-UHFFFAOYSA-N 464.570 2.670 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1722710721 NUNHDLJBNJKWHX-JQVVWYNYSA-N 487.567 2.984 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722730148 JYWBXFFBXGKCHT-UHFFFAOYSA-N 485.654 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(OC)c(Br)c1 1722736875 LGTVZTKMLUMLRC-UHFFFAOYSA-N 481.376 2.794 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1724255763 FRHRVTSXJYAYRD-XMMPIXPASA-N 470.549 2.590 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740597630 RBKKGIWGQDYGRD-FQEVSTJZSA-N 452.515 2.939 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740619462 OUMYRXJAUKGEFO-CABCVRRESA-N 499.456 2.821 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(N2CCOCC2)CC1 1740655215 BKTJHUVUARGJKZ-UHFFFAOYSA-N 496.656 2.720 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC2CC(OCC)C2)CC1 1740704397 NOPVGIDQVADVTL-UHFFFAOYSA-N 450.587 2.820 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)NCC)CC1 1740711781 VJXGRAJRSRTWHA-UHFFFAOYSA-N 477.432 2.926 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740719087 HSBUWYUOCMCSOA-IBGZPJMESA-N 455.628 2.937 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 1740722462 FKBFFYQULITYAO-KRWDZBQOSA-N 464.636 2.679 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1740724961 LASUONCXBGSOPF-NTKDMRAZSA-N 481.626 2.731 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cnnn1 1740728201 QPPSDDPZZMWFBW-HXUWFJFHSA-N 471.363 2.785 30 10 JFEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740779718 XAUCZSRVCOEZNE-GOSISDBHSA-N 467.574 2.999 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(=O)(=O)NC)CC1 1740834744 BGIDQDFUFWBLQH-UHFFFAOYSA-N 468.421 2.968 30 10 JFEE C=CC[C@H](Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1740853925 BSCUTJJVLSXADQ-DZRGJMJISA-N 453.587 2.957 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740944083 OLTTUVPRWKCOSS-UHFFFAOYSA-N 487.406 2.612 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740949113 GWWZFKPJVHVKAB-VQIMIIECSA-N 462.392 2.963 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1740953355 COPAPARGVJZDLC-GOSISDBHSA-N 486.642 2.514 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 1740969781 BDOODBKCVBABMC-LEWJYISDSA-N 456.566 2.737 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)N(C)CC)C1 1740980121 ICJPLRKNYJKUSM-LJQANCHMSA-N 476.622 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)Cc1c(F)cccc1F 1740990207 MIYNZDQTNJCHSD-UHFFFAOYSA-N 450.515 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740992660 KWOKFDXBPQWKOU-UZLBHIALSA-N 466.554 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1740993245 UYKMCJBTVALUOE-GMAHTHKFSA-N 486.686 2.956 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1745196531 GJRSJJMEGITDKV-OXJNMPFZSA-N 478.557 2.639 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748668655 NRSKZUOSPSEDTA-WPVAHCMFSA-N 459.591 2.654 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748808531 DZFOTVIXLLBVSY-NRFANRHFSA-N 455.628 2.756 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1748817610 NBTGCZKAIRJWSZ-UFYCRDLUSA-N 493.674 2.777 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1748824370 OSESCOBDGITGDE-YESZJQIVSA-N 464.588 2.736 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccc(C(F)(F)F)cn1 1748891614 BGIPRHDSXMUKME-KRWDZBQOSA-N 494.543 2.559 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1CC 1748914098 GFPDGYOHEFBDSN-UHFFFAOYSA-N 454.600 2.715 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCOCC2(C)C)CC1 1748980032 WSUYHKWLDJMQKV-UHFFFAOYSA-N 487.446 2.574 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1748991077 PTGFLWVPINCYRB-VQTJNVASSA-N 460.623 2.778 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2F)CC1 1749175518 HSXDUVBGULQQIS-UHFFFAOYSA-N 456.547 2.785 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1749253669 VNGIVTILOZJFLP-HNNXBMFYSA-N 466.771 2.901 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1749271172 PHUCHACOVWCZQU-KRWDZBQOSA-N 483.013 2.644 30 10 JFEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749275438 BJHNGOJNKIGHGW-FDDCHVKYSA-N 487.048 2.813 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCOCC2)CC1 1749303182 FEMLENQOHFIOAR-IBGZPJMESA-N 477.606 2.675 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1OC 1749532083 QAXCCEBKZCBZKM-FQEVSTJZSA-N 473.537 2.754 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/CC 1749546758 DPHIMKBRWXDFCL-AQDCRGGLSA-N 463.579 2.909 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1749600141 QWYAXYLADNUKPP-JTYJAPAGSA-N 499.678 2.773 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749617877 WUPBAZYYQVFWHV-OXQOHEQNSA-N 458.994 2.782 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1 1749732241 TZUKHWBHCDDJTP-KRWDZBQOSA-N 453.609 2.594 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1760186427 NGYRGQRFBACQLX-KRWDZBQOSA-N 480.581 2.837 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCO[C@H](C)C1 1760203459 FSPVVWLMXIKEIT-HKBOAZHASA-N 471.602 2.865 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CCC1 1760204013 ZDIBEOFPXZEVSE-HXUWFJFHSA-N 471.602 2.866 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(Cc2ccccc2)CC1 1760207880 AQTLZAFRCJVXQQ-DQEYMECFSA-N 461.610 2.987 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CN1CCN(CC)CC1 1760215080 NXBGCZJMHWRTND-HXUWFJFHSA-N 454.022 2.730 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccccc2)CC1 1760223289 CKHHXMUTMIJWBB-UHFFFAOYSA-N 484.652 2.815 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCCC1 1760242011 QRDJZRDDSLWPPN-IRLDBZIGSA-N 473.618 2.834 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCCC1 1760242012 QRDJZRDDSLWPPN-RBBKRZOGSA-N 473.618 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1760267871 DHUXAABTFCGCFT-RBBKRZOGSA-N 452.603 2.701 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760273734 CZDOOCYBRKJFRX-KUHUBIRLSA-N 466.405 2.786 30 10 JFEE 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30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1507992994 MNKPAJCALJRHOE-MSOLQXFVSA-N 479.647 2.982 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C2CCCC2)CC1 1508072429 IBPCMULCDMPSDI-UHFFFAOYSA-N 476.423 2.793 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508073827 MPWKQZVDNFHOSF-INIZCTEOSA-N 479.412 2.713 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1508105429 RNNSMWNUXPKVLY-NRFANRHFSA-N 454.575 2.984 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCSCC2)C1 1508110047 RJSKJCHLOBFDFD-OAQYLSRUSA-N 470.643 2.977 30 10 JFEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C)C1 1508152367 LLNZDKSUZJOLGA-OAHLLOKOSA-N 450.634 2.691 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CCO1 1509839331 CVBLGZSLSWXJAI-FQEVSTJZSA-N 470.574 2.972 30 10 JFEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1510011752 HIXJWTNPJZGITJ-INIZCTEOSA-N 468.562 2.921 30 10 JFEE 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C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690717387 DSPNOCCYUVETNB-FQEVSTJZSA-N 499.641 2.679 30 10 JFEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)C[C@@H]2C)CC1 1690828145 COHRLMPPYZBQPT-RDPSFJRHSA-N 479.629 2.621 30 10 JFEE CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1691030208 CIFRAMONPHFNAJ-LJQANCHMSA-N 498.653 2.773 30 10 JFEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)no1 1692996195 DIOSHFOLUQRENF-UHFFFAOYSA-N 478.557 2.704 30 10 JFEE CCC(CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1694299717 DQCVYQMMXSCWHM-XMSQKQJNSA-N 465.650 2.974 30 10 JFEE COC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697096161 CFSFFPULDLVQKE-IBGZPJMESA-N 476.585 2.967 30 10 JFEE COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1698064244 AKMDGKJUGLWJEY-IRXDYDNUSA-N 466.521 2.580 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705561139 QJPHVIIBTZWVJQ-QZTJIDSGSA-N 460.600 2.678 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1705570162 KODVXQDZRIYVBA-LJQANCHMSA-N 473.961 2.731 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1705572233 UYAUEWCORANTDT-RDTXWAMCSA-N 484.500 2.545 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)cc1OC 1705583035 PEFDSTTWSLIORT-OAQYLSRUSA-N 495.580 2.725 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1705587434 VGEYUUHSQMLSHB-RTWAWAEBSA-N 468.602 2.681 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705640999 MPPZYTMRVWIYNE-XMMPIXPASA-N 450.612 2.687 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705646406 DZNVMALBHFDRIF-MZNJEOGPSA-N 468.558 2.616 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2c(C)nn(C)c2C)CC1 1705651421 WJXJAVJEVWIMQV-UHFFFAOYSA-N 489.624 2.784 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705656264 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CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361639557 FOHPOSFEVMQSAT-KDOFPFPSSA-N 480.436 2.860 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2362349689 ITDVRGLWHSYULD-UXHICEINSA-N 450.392 2.598 30 10 JFEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H](C)[C@H](C)N1Cc1ccccc1 2362353073 IOTFTHXFUYUKDX-GBESFXJTSA-N 452.408 2.843 30 10 JFEE CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2364758804 YRLDDDPTGQVPKV-IBGZPJMESA-N 456.396 2.503 30 10 JFEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)O1 2372001149 SJKONTCEGIARJG-HOTGVXAUSA-N 465.375 2.768 30 10 JFEE COc1ccccc1OCC(=O)N1C[C@H](C)S/C1=N/c1cccc(S(=O)(=O)N(C)C)c1 13039491 QGTLUFKYZVMETP-SKAIHHOBSA-N 463.581 2.976 30 10 JFEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 20292037 GUYJAUAFIICVOL-NUGSKGIGSA-N 496.431 2.976 30 10 JFEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3Cl)n2)cc1 21077592 AIAINTYQPZYSRP-SRZZPIQSSA-N 494.002 2.933 30 10 JFEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)o1 21321074 LJPBUNVUFJKJQI-UFWORHAWSA-N 450.322 2.833 30 10 JFEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1N)c1ccccn1 21324876 JKURWTLWWWVNOV-OPEKNORGSA-N 466.449 2.852 30 10 JFEE C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)NCc1ccc3c(c1)OCO3)C2=O 34792204 RDGXIXDRBXZDCD-HSZRJFAPSA-N 494.935 2.734 30 10 JFEE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cc1OC 59879306 XKECQBKFPDVSPJ-FSJBWODESA-N 474.547 2.573 30 10 JFEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3cccc(Br)c3)n[nH]2)cn1 59887181 COLMPBYFAUJNGI-KEBDBYFISA-N 493.391 2.977 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)CN3C(=O)[C@H](CC)Oc4ccc([N+](=O)[O-])cc43)cc21 71505297 NZVPKQGWBKQSPW-IBGZPJMESA-N 451.435 2.893 30 10 JFEE Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1C(=O)CS/C1=C/C(=O)C(C)(C)C 96514092 LZAZYTZNHWAZAC-YRIIZNAFSA-N 467.613 2.604 30 10 JFEE COc1ccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1OCc1ccc(C)cc1 169883488 NFUGDNIQGRPDCX-FMCGGJTJSA-N 454.508 2.722 30 10 JFEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1O 526744155 QJYWCDBAPJRLTJ-IBGZPJMESA-N 486.527 2.893 30 10 JFEE COC(=O)c1ccccc1NC(=O)C[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CCCC2 586274434 MVNBBZMVJFVHBQ-WJOKGBTCSA-N 459.549 2.611 30 10 JFEE CC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)nc1C 586298499 FLQKFLDOOGBQKS-SSEXGKCCSA-N 464.594 2.792 30 10 JFEE COc1ccccc1OCC(=O)NC1CCC(OS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 586506321 UOGIXVLNNNHHON-UHFFFAOYSA-N 476.551 2.865 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)cc2C1=O 673625202 ZQZSYCZJXFBXNA-UHFFFAOYSA-N 479.558 2.846 30 10 JFEE CN(C)C[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757428036 PUSCBQZDQLWLFX-DHIUTWEWSA-N 478.549 2.719 30 10 JFEE CC(C)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)s1 1083971195 UXSBUYRHJDNJQA-UHFFFAOYSA-N 480.601 2.992 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2Cl)ccc1F 1129384639 LGGYJZYOVYCUIM-UHFFFAOYSA-N 456.923 2.933 30 10 JFEE CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1200821136 GLGBYZVYINNOGU-FQEVSTJZSA-N 455.540 2.633 30 10 JFEE C#CCOc1cccc(Cl)c1CNc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1202321249 FIKYGOUSVYOJBT-UHFFFAOYSA-N 450.944 2.994 30 10 JFEE N#C[C@@H]1CN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCN1Cc1ccccc1 1222732006 HKXWKRFAYFJLIG-RUZDIDTESA-N 459.594 2.887 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccccc1OC 1286400359 DHVQRSUDQDKNDE-UHFFFAOYSA-N 476.606 2.871 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cscc2C)CC1 1286472629 ADWFGJKICDUFPC-UHFFFAOYSA-N 455.609 2.522 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)N(C)C2CC2)CC1 1286480008 JOLSALIDJFNBBS-NHCUHLMSSA-N 485.677 2.631 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1286507469 AACPHTCBDHFDRZ-INIZCTEOSA-N 470.567 2.784 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1286687636 LETYRNQDEMYWFH-CTNGQTDRSA-N 460.600 2.821 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286710778 CWOBSBPKHNFKJV-YKSBVNFPSA-N 481.645 2.620 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC2(CCC2)C[C@H]1CC 1286814395 RHCXTAJMGBFONH-QGZVFWFLSA-N 458.588 2.685 30 10 JFEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1288918117 GMWGDNOVXGLETR-VFNWGFHPSA-N 465.526 2.824 30 10 JFEE CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)CCn2cc(C#N)c(O)nc2=O)c1 1290586953 GGRQZDQGSSPNNB-QGZVFWFLSA-N 459.506 2.959 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1297270480 DMMWELQYLAZUHD-DENIHFKCSA-N 484.649 2.896 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccnc(OC(F)F)c1 1300458748 MNGGTVKINATJFU-UHFFFAOYSA-N 454.485 2.566 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1cccc(C)n1 1300664316 QOTXAMAZNTXFPV-UHFFFAOYSA-N 471.565 2.707 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C 1300734229 UHNOTDQDYDWDPX-SFHVURJKSA-N 485.017 2.698 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300872226 AELUXCFFWNIKON-KNKQGSTJSA-N 490.626 2.957 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1300950541 DXALAKZTPUKIAG-OAHLLOKOSA-N 481.981 2.511 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC(F)(F)F)C1 1301565098 DBZVZQMLUAIRKI-QGZVFWFLSA-N 467.492 2.934 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(S(C)(=O)=O)CC2)C1 1301566314 OTCIGTNFTYYJOB-IBGZPJMESA-N 460.600 2.832 30 10 JFEE CC(C)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 1303303994 BTLMNUFVZOKTHY-FPOVZHCZSA-N 465.602 2.516 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 1303760943 DGBRPDRZMXYJBW-LJQANCHMSA-N 450.543 2.926 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](OC)C2)CC1 1313949074 HLAJMNAIPOOIPX-NFBKMPQASA-N 451.619 2.706 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC1(F)F 1314873475 DTYKMLPRZHKLFA-QGZVFWFLSA-N 452.531 2.628 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)c(F)c1 1358870787 UBNOCIOIYSXWGI-QGZVFWFLSA-N 456.566 2.678 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)N2CCCCC2)c1 1358900883 UWAMJCDYBXHUGP-OAQYLSRUSA-N 491.640 2.835 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1358906768 SELIDJJBGLMZLX-AXHZCLLHSA-N 472.611 2.925 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358919737 JFRTYWAGPFEDGZ-AZUAARDMSA-N 475.590 2.975 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1358935003 SOESVWAQLZDMMM-NRFANRHFSA-N 464.570 2.998 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358956547 HGVWLGMHULPFEL-HXUWFJFHSA-N 482.610 2.777 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1358963586 KQBJMMVVVVPVOY-IRFCIJBXSA-N 450.649 2.945 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358965853 CESPGIQICRSJPH-MRXNPFEDSA-N 456.490 2.663 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)c1c(C)noc1C 1358976955 YJIRUCHJLFZJAO-MRXNPFEDSA-N 455.522 2.673 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1359012116 ZPPMICWVOZWJRT-PCCBWWKXSA-N 466.586 2.748 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1([S@](C)=O)CC1 1359021678 XETZCMYSQCFMCS-NDEPHWFRSA-N 469.380 2.844 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2OCC(F)(F)F)CC1 1359028070 GKGOEZCYFNEZBM-UHFFFAOYSA-N 492.546 2.941 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(F)c2)CC1 1359031382 ZTMMEBLLHCHNLU-UHFFFAOYSA-N 457.351 2.989 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1359040523 YSQJJNTWNODLGZ-CJFMBICVSA-N 472.634 2.510 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1359059934 FNDYVZBGNPVEAD-UHFFFAOYSA-N 482.654 2.822 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359137254 KGUYFMGPKGXURE-WOJBJXKFSA-N 467.636 2.553 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359141281 BGUUXGQUTOAKEI-QFIPXVFZSA-N 479.412 2.915 30 10 JFEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359253312 AHFDDWPRPZAOEQ-XMMPIXPASA-N 474.627 2.859 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1359263603 GKFBTLXJNPHGJQ-GOSISDBHSA-N 479.672 2.545 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)C1CCCCC1 1359298244 RXYIKTSXRRJYND-KRWDZBQOSA-N 473.647 2.945 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC(OC(C)(C)C)C2)C1 1359321908 NKEUSVPVDVJREQ-FUFFSDJGSA-N 466.648 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc2[C@H]1C 1359326553 COEQDODFKXOUTD-QGZVFWFLSA-N 466.567 2.650 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1359332132 QAPABMAGLUQVHX-FXAWDEMLSA-N 482.553 2.629 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1360787711 AVLHTMXSGMMDGM-NRFANRHFSA-N 477.491 2.915 30 10 JFEE COC(=O)[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccccc1 1460908470 DZVNYYKDCYBMSS-MBSDFSHPSA-N 450.539 2.860 30 10 JFEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(C(F)(F)F)cc1 1466282083 ZVZQSMBUGKLCDL-NXHRZFHOSA-N 458.502 2.865 30 10 JFEE CCc1nc(C)c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@@H](C)CC#N)o1 1498267694 GDCFCIFOJLECRR-HNNXBMFYSA-N 471.587 2.841 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccccc1)N(C)C 1507527732 IYSJDTOSHUYXBM-NQIIRXRSSA-N 465.627 2.999 30 10 JFEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507559003 NLFTYNLAEKLYHE-UHFFFAOYSA-N 456.978 2.976 30 10 JFEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507571150 RFULSIPWXOLUPT-UHFFFAOYSA-N 463.579 2.660 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507594405 FMOHCFMLDOVXAR-LADGPHEKSA-N 478.641 2.876 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)C(=O)OC(C)(C)C 1507610176 DBPJIMLRARTCPV-UHFFFAOYSA-N 465.558 2.518 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507630248 VOHCQZLOCHZIPC-SJLPKXTDSA-N 455.609 2.872 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507641739 CSPBVQRPVWHVEM-ROUUACIJSA-N 460.987 2.969 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507675532 BSOXXPDPUDJKDW-AHWVRZQESA-N 491.636 2.722 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1507676554 OSYGDJUGBOTRJZ-CYFREDJKSA-N 457.575 2.619 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1507687661 RIBLVCWWYIQYKE-UHFFFAOYSA-N 477.569 2.518 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccccc1 1507691519 IYZMIGJCXJWGDW-NBGIEHNGSA-N 469.586 2.954 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507703191 RPSVXJGYURWMTC-UHFFFAOYSA-N 482.585 2.995 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCS(C)(=O)=O 1507706578 OALZBBNBGZQFRF-INIZCTEOSA-N 450.630 2.652 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OC)c(Br)c2)CC1 1507742145 BHLUXINWHYGBNW-UHFFFAOYSA-N 460.376 2.626 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507837537 SIUOMDFFJRJGBM-IRXDYDNUSA-N 452.552 2.773 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 1507921288 SCRKTFNZLZSZSY-WWNPGLIZSA-N 466.630 2.933 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1507972091 FXQRCEHDVJKABT-HSZRJFAPSA-N 473.599 2.935 30 10 JFEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508066642 VBYKTGRUPWVDPF-UHFFFAOYSA-N 463.007 2.984 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1508132713 ZJSSLBBBYNYBIC-FQEVSTJZSA-N 452.559 2.672 30 10 JFEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)cc1C 1510954237 AYBXECPQLVQTCW-RBUKOAKNSA-N 460.604 2.636 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNc2nccc(C(F)(F)F)n2)C1 1517472331 BMDPBVLBRRNPLT-JOCHJYFZSA-N 499.501 2.700 30 10 JFEE C=CCN(C(=O)c1cc(C)c(C(N)=O)cn1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1523769357 HACWOYKRVSVEAS-UHFFFAOYSA-N 456.549 2.849 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(Cl)nc(N3CCCC3)c2)c1 1526853314 GWKWXZHWTPASRN-UHFFFAOYSA-N 452.942 2.822 30 10 JFEE N#C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCN1Cc1ccccc1 1529236432 HBJRSDOIZXWLLI-LJQANCHMSA-N 458.609 2.773 30 10 JFEE C=CCOc1cccnc1C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1530099331 IAQFSAQZUZCPLS-MRXNPFEDSA-N 458.481 2.860 30 10 JFEE N#Cc1cccc(-c2cc(C(=O)NCc3cccc(NC(=O)CCN4CCOCC4)c3)on2)c1 1534397047 DGXWWNHHKMNTDB-UHFFFAOYSA-N 459.506 2.804 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(SC)CCN(C)CC1 1539025981 PEVISRODUABLHZ-HSZRJFAPSA-N 495.741 2.928 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCn2cc([C@H]3CCOC3)cn2)c1 1539038050 KTORGWQEIBJODI-FQEVSTJZSA-N 461.570 2.858 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)NC2CCCCC2)c1 1539039760 HGGWULBDQPIGIW-UHFFFAOYSA-N 471.565 2.845 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539133151 FEVLCISDKCRFJS-OAQYLSRUSA-N 458.360 2.749 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1539205742 KCXIMGWPOPZWRQ-SFHVURJKSA-N 458.584 2.779 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1539226268 WNQMVQJYNFFEFU-OAQYLSRUSA-N 469.636 2.871 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1cccs1 1539304609 CBDNUZXUQVTHID-DEOSSOPVSA-N 497.646 2.628 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCCC2)c1 1539343517 LNMVKFVUBYNWKJ-QGZVFWFLSA-N 460.604 2.503 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1539444852 WGMJGJZAHGHJPO-FQEVSTJZSA-N 457.582 2.672 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1539447083 NHJMCRJBNFPLDF-SFHVURJKSA-N 464.492 2.659 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2oc(CC)nc2C)CC1 1539473786 BDHGQWCGFJRSHP-UHFFFAOYSA-N 492.580 2.835 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1539599539 HDEQGKTWBDBXSB-SFHVURJKSA-N 495.443 2.965 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539636514 KZXVOCXCGUAMKS-HBFSDRIKSA-N 450.630 2.925 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC(C)C)CC1 1539646308 SUVPDGFKFCEUKQ-UPVQGACJSA-N 471.650 2.668 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)CCCCc2ccc(I)cc2)CC1 1539702309 AAOSUYPKQPKILZ-UHFFFAOYSA-N 452.336 2.992 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1539729532 JQYRXQFPTRULNL-QGZVFWFLSA-N 465.396 2.744 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1539742688 JQUNYHNTGBUPCS-UHFFFAOYSA-N 467.574 2.880 30 10 JFEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539759005 WFKPOHGTFPFXRX-DEOSSOPVSA-N 474.627 2.680 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1539981604 HHWZZDXMUXWYDW-MRXNPFEDSA-N 468.023 2.996 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O 1540127332 QYGZVTRYLVXXFI-LOSJGSFVSA-N 453.587 2.990 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1540872086 CBCXCKLEVHIDNH-GOSISDBHSA-N 456.547 2.653 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CCC(N)=O)CC1 1540899222 HMILWILEDGQBID-UHFFFAOYSA-N 483.997 2.820 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(C)Cc2ccccc2C1 1541925394 BRHSSDVKWKTCGD-QGZVFWFLSA-N 456.616 2.823 30 10 JFEE CC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1543837081 DBIVURIEUXFYBC-UHFFFAOYSA-N 483.598 2.939 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3csc(-c4ccco4)n3)CC2)cc1 1545452753 ANFRXIMOZZQZDU-UHFFFAOYSA-N 456.549 2.992 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1Br 1545928500 BSFKVXULGLAWPG-MRXNPFEDSA-N 461.364 2.736 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1546818661 CMWDVCULHSGFBP-UHFFFAOYSA-N 484.626 2.527 30 10 JFEE Cc1cnc(C(=O)N2C[C@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)cn1 1548375577 RCUGSTBFZLWSNF-GOSISDBHSA-N 472.471 2.520 30 10 JFEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)c1ccccc1 1564117010 GSKSIDQJKFQXCM-HXUWFJFHSA-N 457.552 2.531 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1587765123 AXGHOHDMBQPEHU-FCHUYYIVSA-N 471.627 2.626 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1587766757 YVVSTNOHQIAPED-LEWJYISDSA-N 488.633 2.695 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1587783418 QOTPLHZQNOPARB-GOSISDBHSA-N 456.616 2.814 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588046051 WDXSMLAWYJKFTM-WOJBJXKFSA-N 488.610 2.752 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588069500 PIRAPALKPALRLF-LJQANCHMSA-N 460.600 2.607 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588074145 KJXWLQRBZOKJRY-IBGZPJMESA-N 474.652 2.811 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)cc1 1588134275 VSMYXTSQNVASLD-OAQYLSRUSA-N 476.581 2.613 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1588270959 BDZCQYMISBEJNM-DEOSSOPVSA-N 457.550 2.656 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1588899150 LHVCASBMVFMHOF-UHFFFAOYSA-N 490.608 2.801 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCC[C@@H]2C)CC1 1588961661 HMSZWRLSKZEEGH-QFIPXVFZSA-N 462.642 2.904 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N2CCCC2=O)CC1 1589036969 SBNKZGWMYBPEDU-UHFFFAOYSA-N 469.611 2.920 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1589078701 WSZFVWMQWNOVGH-QGZVFWFLSA-N 499.591 2.911 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1589580300 NMGCKPJCYYEMIH-JUXOCIIHSA-N 487.626 2.511 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1593689639 BIRZXTVYNNVWOQ-UHFFFAOYSA-N 454.575 2.799 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1594497591 JNUZPBMMXPUYKY-RBUKOAKNSA-N 466.648 2.804 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1594543644 DBFCZGUFXBOGMA-WOJBJXKFSA-N 492.667 2.554 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1594923960 YAJOJSZDAGFRPV-QHCPKHFHSA-N 459.616 2.792 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1595218803 OHDGSBVURMWNPJ-HKUYNNGSSA-N 475.640 2.679 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595386790 GKXLFNDJNVNTNU-UHFFFAOYSA-N 475.619 2.918 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)C1 1595664852 LHKBZLGVDODWFA-UGKGYDQZSA-N 480.613 2.872 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(=O)NC)c2)C1 1595738727 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CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1555140401 AZIAYLREKIKUKS-FUPPJEDESA-N 466.586 2.848 30 10 JFEE CC(=O)N[C@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)c1cccc(Br)c1 1558466187 WNBTZDWLIQHOLH-ICSRJNTNSA-N 456.344 2.996 30 10 JFEE C#CCOCCN(C)C(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1558867023 YYSAMUKTDWLTJQ-RVDMUPIBSA-N 453.383 2.759 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2nccs2)c1 1587683861 PBLBHUOVAWEGBQ-KRWDZBQOSA-N 477.594 2.831 30 10 JFEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1587766160 PPWRDVXDCBVULN-GOSISDBHSA-N 452.559 2.517 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(N(C)C)CCSC1 1587984814 LYEPONFIEWRRAT-FDDCHVKYSA-N 462.664 2.899 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1588045253 IAIKIHCFEYXDLI-MOPGFXCFSA-N 495.571 2.764 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccccc1OC 1588647916 ZMSPBOCPEJENPR-UHFFFAOYSA-N 461.570 2.595 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCOC2)CC1 1588961778 LPJRZLQHDYHGMB-HXUWFJFHSA-N 465.598 2.812 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1589304394 GSKAIWCPXHDVAG-AWEZNQCLSA-N 480.363 2.594 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1589482156 GQJIUMMSOHQNDM-AIYYMTJKSA-N 474.606 2.501 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)c1 1594580959 MBGHQWASEHJNCE-UHFFFAOYSA-N 459.589 2.871 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1594997964 UUWKFTVGUDPPOG-CTNGQTDRSA-N 470.599 2.555 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595084813 MZEVZXZCSDMMMT-QHCPKHFHSA-N 488.635 2.681 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)=C(Br)C1 1595496740 FTHKOBGUNRMXLQ-UHFFFAOYSA-N 494.415 2.530 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1595523317 SYDOSEVTNALSDE-KRWDZBQOSA-N 471.606 2.715 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1595577498 UTQYQBRVDMAIOL-LJQANCHMSA-N 484.601 2.961 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCN(C)C2)C1 1595688341 GQEYYWFPLTUXCR-NQIIRXRSSA-N 462.392 2.556 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1 1595714167 LCJAEAIUMIUZEZ-KURKYZTESA-N 462.595 2.560 30 10 JFEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1611792689 GYSMLICLNZCKQY-GOSISDBHSA-N 464.492 2.695 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1614348907 DXZIIOMTYALCBC-UNMCSNQZSA-N 479.629 2.528 30 10 JFEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CCN1CCOC 1614440980 DHHOUVWHEDIASG-HXUWFJFHSA-N 466.615 2.962 30 10 JFEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1614499861 FUISPONCTPNZSM-XMMPIXPASA-N 464.662 2.765 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(C)n2)CC1 1615413312 BBGQDWLJXJMJLG-UHFFFAOYSA-N 492.653 2.815 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)s1 1618382816 JLBIJPMVWMOWQK-NRFANRHFSA-N 452.573 2.866 30 10 JFEE CNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1618618464 GVDFZZTYGWZQNR-UHFFFAOYSA-N 472.597 2.868 30 10 JFEE N#C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCCN2CCCCC2=O)CCO1 1620354276 AYPNKJMJTRNMAN-MRXNPFEDSA-N 491.365 2.978 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)c2cccc(Br)c2)ccc1F 1631386583 VDOHOANNOCWBSN-MRXNPFEDSA-N 457.321 2.516 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC 1635606297 FRRUYWJSHHNRIG-CYBMUJFWSA-N 457.763 2.852 30 10 JFEE CC(C)(C)O[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H]1n1cccn1 1662023677 HHQBYUBFLZECRN-ZACQAIPSSA-N 453.362 2.993 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)c1 1662917493 QTHYSFJSDUZDRE-FCHUYYIVSA-N 453.568 2.849 30 10 JFEE C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)OCC 1665796911 GWGQXIHLBNCTLR-PMACEKPBSA-N 452.573 2.995 30 10 JFEE Cc1cc(NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1S(=O)(=O)N(C)C 1673497409 FWUITFCERYNOET-UHFFFAOYSA-N 452.540 2.839 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1689824444 PYRMJUJQMIMEDH-HKUYNNGSSA-N 478.519 2.868 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1689865336 RVFXPTIBJXHRKE-MOPGFXCFSA-N 450.543 2.724 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1689901889 RNQNAFVEYBGZJO-UHFFFAOYSA-N 466.561 2.696 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1689944615 WRJBZSLUFBSHSB-IRXDYDNUSA-N 453.547 2.640 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689982073 HIRJDPJPBJGBTE-RXVVDRJESA-N 495.443 2.741 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689982700 SFKCMDZUCMMSSE-QGZVFWFLSA-N 480.432 2.863 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1689994512 ZSQRGYIQKDXLQN-OAQYLSRUSA-N 469.636 2.698 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(C(N)=O)c1 1690075435 KXEBNYBJLJIILY-HXUWFJFHSA-N 466.586 2.999 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1690077799 WYIIYPMNJNPMFZ-HKUYNNGSSA-N 460.600 2.536 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1690113869 WUCBCHNDAWDZRY-UGKGYDQZSA-N 451.562 2.901 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCC[C@@H](C)C2)CC1 1690133891 YCMLAWUQAIYMCN-JOCHJYFZSA-N 466.630 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cnn(C)c2)CC1 1690138357 ZRWBVWSXIWYUIR-FQEVSTJZSA-N 475.597 2.783 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1690143918 GMZAQSDGUIDINB-UHFFFAOYSA-N 481.597 2.976 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 1690163885 UWOBSOKJDAULIM-UHFFFAOYSA-N 471.627 2.630 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1690216174 MEWUTDNVIBORKZ-KKPNIWNPSA-N 486.661 2.888 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C)C(=O)C1 1690241042 NTTSLVXKKLDHQR-JXFKEZNVSA-N 490.402 2.976 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(=O)(=O)CC 1690266060 ZOQJGWLGQCBRLO-UHFFFAOYSA-N 484.667 2.734 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)CC1 1690343677 AOACIYWNFKKOIF-GOSISDBHSA-N 469.030 2.914 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690354691 XUBFFLGCTZNIMA-JTSKRJEESA-N 489.020 2.607 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690666919 KVZBIDYAUPXSCI-UHFFFAOYSA-N 492.580 2.865 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C(=O)NC 1690718803 AJOIKYILHNZELG-ZDUSSCGKSA-N 474.414 2.671 30 10 JFEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1)NC(=O)OC(C)(C)C 1691582384 BMXHUOIAMHMBBB-LJQANCHMSA-N 467.574 2.692 30 10 JFEE Cc1cnn(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1693302215 IFZJLXHDULTAOB-QHCPKHFHSA-N 482.614 2.531 30 10 JFEE CNS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1697026686 GDBCNSNTTRWSRY-UHFFFAOYSA-N 455.009 2.513 30 10 JFEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)CC1 1697714612 BROYVVANFIGJBV-HSZRJFAPSA-N 454.600 2.834 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705543334 CLKNMZOSOBMFPO-SFHVURJKSA-N 496.431 2.551 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1705562244 ZHLSQIPYXRQXCJ-HXUWFJFHSA-N 455.971 2.977 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705567068 SYNBXXGALVAHQA-SFTDATJTSA-N 456.612 2.772 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(C)COCCO2)CC1 1705632841 COFDDEOQQZFFHP-FDDCHVKYSA-N 459.978 2.632 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nnc(C(C)(C)C)s2)CC1 1705648469 SZFFTLPOMAUIMS-KRWDZBQOSA-N 471.631 2.683 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705652337 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C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705940630 KURIPDFDFBFDIE-KRWDZBQOSA-N 460.991 2.990 30 10 JFEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CCO1 1706054362 ACDJRSRRJWAAKC-WUMKDDEVSA-N 496.612 2.665 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCC2)C1 1706157904 GOIHRDSTIRHELL-RTBURBONSA-N 474.606 2.817 30 10 JFEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CC(F)(F)F)CC1 1706753590 GSGGAMJIWFJCNP-OAHLLOKOSA-N 463.508 2.791 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCCC1(C)C 1708751189 BMTPGPXJDLEKFI-SANMLTNESA-N 494.644 2.731 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCOCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722359137 QFOZJELWPFFAHW-NRFANRHFSA-N 458.628 2.852 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1OCCC1(C)C 1722414587 BSRIVWXKFUOGEL-QHCPKHFHSA-N 450.631 2.917 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722425422 YBKWJJDDKNYQAK-IBGZPJMESA-N 469.590 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30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1749000087 MTOQZTQLKLZETR-JOCHJYFZSA-N 498.697 2.691 30 10 JFEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749026706 HHVZVQFYFPQODZ-OAQYLSRUSA-N 455.628 2.950 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1749136638 PXNDIHFDTYVUFD-STXSXRGOSA-N 471.627 2.756 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749249365 CNDAFXVAFASNOH-INIZCTEOSA-N 478.340 2.883 30 10 JFEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)C(C)=O)CC1 1749456811 AYVWVWVFGYPSPH-QFIPXVFZSA-N 455.559 2.830 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCN(C(C)=O)CC1 1749573278 NPNRIHJSCRPQNT-UHFFFAOYSA-N 461.570 2.943 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1749591161 MPBDVZBGYFYSLY-UHFFFAOYSA-N 488.585 2.776 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749740254 BPTMJMGEXXPCLH-UHFFFAOYSA-N 483.642 2.992 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1286491404 QMQGPOSGJRNESE-IBGZPJMESA-N 476.556 2.836 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COCC)C1 1286509156 NEMZCORLQFOPGR-OALUTQOASA-N 479.647 2.816 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(C)C)C(=O)C1 1286603692 IOUSREYGSQIZSD-UHFFFAOYSA-N 455.559 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 1286820311 JGVMYXMOPKYVJH-IBGZPJMESA-N 497.662 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286821311 HANABZOKHOHEEP-TZIWHRDSSA-N 460.600 2.626 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1286823831 QFKJIFNTASMXQD-FQEVSTJZSA-N 456.616 2.587 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(F)cn2)c1 1298096425 GGFKPZJELWAXNA-QHCPKHFHSA-N 483.573 2.908 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)OC)c1 1300332084 VYBOWOZPBKMBNC-VWLOTQADSA-N 469.586 2.800 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1300455602 MNFSTHHGXSRIET-UHFFFAOYSA-N 475.597 2.926 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc2c1OCCCO2)[C@H]1CCS(=O)(=O)C1 1300481581 ARFXBAWLXXPRTD-MJGOQNOKSA-N 458.584 2.628 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCS(=O)(=O)C1 1300481941 CJKOPLRIAJIGKE-HOCLYGCPSA-N 496.536 2.797 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1c(CC)nn(C)c1OC 1300575297 WOVQHDMQODSNBB-UHFFFAOYSA-N 468.565 2.947 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)n1 1300676535 PNUDVGVMZUPHBX-URXFXBBRSA-N 456.591 2.612 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1300711397 BDACXZSTJUPVQJ-SIKLNZKXSA-N 482.629 2.732 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300722338 IWACOTQOSVXIGN-QHCPKHFHSA-N 475.515 2.962 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300762417 PBKCUMNEOMGOHZ-BHIFYINESA-N 488.702 2.513 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1300799858 HZBJWASHOGUPSU-HSZRJFAPSA-N 450.568 2.631 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1300877182 WOVZHIFNJAGQNB-NHCUHLMSSA-N 472.634 2.626 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1300989190 MJBLLOBQWHJGBF-ZDUSSCGKSA-N 479.550 2.885 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1301289505 JEJFDNBVXUPEAT-UHFFFAOYSA-N 463.586 2.994 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1301406497 YIRISMAUVNZINA-SFHVURJKSA-N 469.970 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301587697 QWJIRONMYQAHRW-IBGZPJMESA-N 491.614 2.952 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccs1 1301773570 CHFFJYKFAGVKSE-NTKDMRAZSA-N 480.594 2.723 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1302320223 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C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1359342319 UZMHIYOHDIFRFU-KSZLIROESA-N 476.647 2.984 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359342719 DGURBFXADFQYBZ-GOSISDBHSA-N 495.696 2.513 30 10 JFEE CC(C)COC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1360038394 FLUFXHDTPNEMSO-UHFFFAOYSA-N 488.614 2.556 30 10 JFEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)c1ccccc1 1360569408 HQQJSSMBIMRLQZ-PWHSHALESA-N 456.616 2.835 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1360638255 AVOWMJPVDIMRSQ-FXAWDEMLSA-N 477.573 2.848 30 10 JFEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 1468422287 DNXUIZOPSKFOIQ-MOPGFXCFSA-N 457.600 2.526 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)N(C)C 1507516469 CDXMZMXRBRLQOQ-HNNXBMFYSA-N 458.613 2.726 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1507632873 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2.987 30 10 JFEE C=CCCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1507936786 GRMZXQOCLUSBIK-CYFREDJKSA-N 466.590 2.663 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@@H]1OC 1507998626 HTTIJBKLCCTSCN-VXKWHMMOSA-N 464.570 2.516 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1508015409 VEAIQKOYQXHLTJ-SFHVURJKSA-N 452.584 2.986 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508095555 XQHHMVOSYXNFNU-IBGZPJMESA-N 471.627 2.955 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1508115125 HZYARAXIVPFHEK-HKUYNNGSSA-N 476.599 2.568 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1508163126 UTRYZNSMHMZXHO-IBGZPJMESA-N 461.657 2.816 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CCN(C(=O)OC)CC1 1513024123 DGFYBPIDMKCRKE-ZWKOTPCHSA-N 481.605 2.647 30 10 JFEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1517589981 HXGPXNQAVGFQHF-APWZRJJASA-N 467.574 2.692 30 10 JFEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)OC 1518730255 CVCALIOQSWZXLF-IRLDBZIGSA-N 465.558 2.737 30 10 JFEE C#CCN(C(=O)c1nnn(-c2cnn(C)c2)c1C)[C@H]1CCOc2ccc(Br)cc21 1538197766 BCGXEOXUNPOBEL-KRWDZBQOSA-N 455.316 2.671 30 10 JFEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539082699 YZBAZMHGOQQORM-OAQYLSRUSA-N 482.604 2.933 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1539218575 APRHCNIKZWROOY-IFMALSPDSA-N 490.073 2.881 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1539224024 BTFXGTWQMJGYEQ-QGZVFWFLSA-N 461.657 2.854 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCc2ccccn2)cc1 1539230655 JQSQVOIBFDLUSO-UHFFFAOYSA-N 454.534 2.609 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@](C)(O)CCOC 1539246733 WMFUUMGVUGJJEM-OAQYLSRUSA-N 461.360 2.577 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)N1CCOCC1 1539250683 RNPYFPYLLKJVAZ-INIZCTEOSA-N 460.351 2.640 30 10 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C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539686127 HTEMZGVICBBDJP-UHFFFAOYSA-N 476.423 2.746 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1539966685 MEVGGSDEICCSBN-JOCHJYFZSA-N 468.627 2.730 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1539981855 JQHWEGMDLFJYKC-DLBZAZTESA-N 452.650 2.799 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540854860 IUHLEUZBFHBEQG-UHFFFAOYSA-N 455.559 2.996 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1540866317 JOVLOXZOWKIFIO-SFHVURJKSA-N 493.999 2.942 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1540901686 MBLLLNRFYKGMGC-UHFFFAOYSA-N 486.598 2.589 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 1542252524 IFBVLJDTNRHWOP-HNNXBMFYSA-N 454.483 2.868 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1546394570 HCUJQEONFVRMBS-CQSZACIVSA-N 459.913 2.819 30 10 JFEE 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C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(F)F)C1 1595777835 RGHNAMDZOZSFSS-INIZCTEOSA-N 468.526 2.799 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1596083799 BJLVSTDBNHEBTR-GBXCKJPGSA-N 458.607 2.707 30 10 JFEE CC(C)(C)n1ncnc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1597409573 DPFDIVNPZNWADL-QFIPXVFZSA-N 485.955 2.698 30 10 JFEE Cc1cc(F)ccc1-n1cc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)nn1 1611204183 AZZGLROATDDJSL-RISCZKNCSA-N 467.345 2.929 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1615956129 BIRBZZGALNBXSU-NRFANRHFSA-N 452.607 2.645 30 10 JFEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1619122960 BIJKZPUOYNZTNQ-KXBFYZLASA-N 482.507 2.821 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 1632527687 DWOFYVIISZAZPE-SFTDATJTSA-N 454.571 2.733 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)CC1 1632624726 XCDXGUQVEOPQMA-UHFFFAOYSA-N 453.970 2.745 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 1633452056 VVNXWARSHAPJBD-IBGZPJMESA-N 453.486 2.650 30 10 JFEE C#CC[C@@]1(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)CCCN1C(=O)OC(C)(C)C 1634708160 LZDUJSVFDJWKEI-XOBRGWDASA-N 455.481 2.812 30 10 JFEE C=CCOC[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)C(=O)OC 1635158750 JJELXHOULTWACC-LJQANCHMSA-N 454.548 2.842 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc2)cc1 1635288616 PPRATXIYQJSLLX-SFHVURJKSA-N 453.442 2.942 30 10 JFEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 1659904485 DAVQNHVETCFDQO-UHFFFAOYSA-N 451.545 2.659 30 10 JFEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 1660686209 DFJUQDUVZOPBKJ-LJQANCHMSA-N 453.992 2.976 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CCC1 1689850518 CSIDAEDPCRSFNB-QGZVFWFLSA-N 479.647 2.818 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(COC)cc1 1689965645 ABQJYBTWJJAYGA-HXUWFJFHSA-N 455.559 2.851 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1690041911 NJQVGNLFAMXKDS-VWLOTQADSA-N 465.623 2.625 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)CC 1690067829 MHZLSDDBXOXLNG-UHFFFAOYSA-N 455.378 2.610 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCC2(O)CCOCC2)CC1 1690111566 FKQCJBPFTHYNTR-NRFANRHFSA-N 483.613 2.504 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690225074 ZHGPTXWSZNTYFG-INIZCTEOSA-N 499.431 2.892 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690230621 LHOWIWIIAYDCLG-UHFFFAOYSA-N 452.316 2.707 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690354693 XUBFFLGCTZNIMA-VGSWGCGISA-N 489.020 2.607 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOCc2ccccc2)CC1 1690375349 IAKADFJHXCDUQS-JOCHJYFZSA-N 489.642 2.764 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690643589 JFVJCZQRVKSNNG-IBGZPJMESA-N 489.665 2.615 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1690679189 NADWCQCQSNCLKZ-UHFFFAOYSA-N 462.554 2.557 30 10 JFEE C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)N1CCCCC1 1692675179 BDFKMSSRYICVGR-FQEVSTJZSA-N 499.685 2.941 30 10 JFEE CCC(CC)(Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)SC 1694264398 HUNMGFADTJCMBF-GOSISDBHSA-N 492.671 2.846 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1705505819 OKOGBGDHYLTJLB-PXNSSMCTSA-N 482.585 2.720 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705508803 VIQOIEPFNWIYQN-SFHVURJKSA-N 451.575 2.860 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@](C)(O)c1ccccc1 1705551391 MWMJRIUNFNJQAM-NBGIEHNGSA-N 469.586 2.954 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1705561732 SVXJWZAULJUONJ-QZTJIDSGSA-N 481.416 2.759 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1705570807 RGWQNPIVWYVULP-IBGZPJMESA-N 462.641 2.646 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCOC(C)(C)C1 1705576133 HDBUIFOJXCWWLB-UHFFFAOYSA-N 486.414 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2[C@@H]2C[C@@H]2C)CC1 1705647386 CZZLFANKWKUVTK-FXAWDEMLSA-N 470.618 2.939 30 10 JFEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705737785 ZFQYRDOABHVHAM-NQIIRXRSSA-N 476.599 2.787 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1705804555 FNXJYNQLZRONOA-UHFFFAOYSA-N 463.586 2.995 30 10 JFEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1705844021 UJJQJGMVBTXDGD-GOSISDBHSA-N 463.629 2.558 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(CC(C)C)CCO1 1705858362 UZPGDPLLXPQQGD-XMMPIXPASA-N 491.640 2.935 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1705896485 OCUVXQQNNSTSFC-UHFFFAOYSA-N 495.565 2.616 30 10 JFEE CC(C)CN1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1706500035 HIXDNSYKDCAUHV-UNMCSNQZSA-N 499.685 2.655 30 10 JFEE C[C@@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1706819256 HZHYGJDUCGDSRA-NRFANRHFSA-N 451.619 2.707 30 10 JFEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1708061993 CDUIYBISMPQFNK-LJQANCHMSA-N 499.685 2.845 30 10 JFEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1)N1CCC[C@@H](C)C1 1708075986 FECRXIDHISVSET-RTWAWAEBSA-N 451.619 2.706 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1708524360 HCIIMZRVFLTWTM-MOPGFXCFSA-N 483.592 2.624 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1710375158 AULXHOOGSWWWAE-GOTSBHOMSA-N 495.628 2.888 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1722277527 LZBLLHLMXNHGQT-WIBYCNNDSA-N 452.490 2.542 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1Cc1cccc(N2CCOCC2)n1 1722301940 FBDCJLVEFTUWPB-FQEVSTJZSA-N 476.581 2.994 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722324170 MBIMMKNWZOEUSI-JKSUJKDBSA-N 466.007 2.533 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722363047 QEUNOFUERKKPRL-HOYKHHGWSA-N 472.611 2.522 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1722366989 JZCNHJLKIUUKSQ-JKSUJKDBSA-N 499.456 2.671 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722367056 UOULVHQXPNBOIO-IBGZPJMESA-N 489.523 2.958 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1722387140 HIFNEWFOQAJJBB-QFIPXVFZSA-N 498.578 2.966 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(C(F)(F)F)n1 1722407175 FLSQUNHFELKNRF-UHFFFAOYSA-N 453.432 2.842 30 10 JFEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCCCC2 1722417828 VHHICGPBBPCVJB-HDICACEKSA-N 468.606 2.875 30 10 JFEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722483033 GUGJJAJNOOHCPP-UHFFFAOYSA-N 476.423 2.629 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722490648 BPBXLPLHXIEIIU-CDXJDZJCSA-N 487.004 2.510 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1722519035 CPWVFLVOZXWXAW-UHFFFAOYSA-N 461.010 2.985 30 10 JFEE C=C(C)Cn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722526495 XJNNPPGQLLCRCY-VWLOTQADSA-N 460.667 2.890 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722538023 SUNJZAMZCPMBIA-OAQYLSRUSA-N 455.559 2.780 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1722575203 ZUBYKGIMQHLJHM-WDSOQIARSA-N 496.678 2.965 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1722678751 XJHHVERBGGVGMP-DEOSSOPVSA-N 468.627 2.663 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1722694000 IDLVOFREFBKQQM-SFHVURJKSA-N 470.599 2.720 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722701508 RYVSTRLVVIHGGY-IBGZPJMESA-N 457.522 2.762 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1722725442 ONYQRRZZIYYTDZ-JKSUJKDBSA-N 498.074 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](Cc2ccccc2)C1 1722729610 QTXWRALTAUVLAB-JOCHJYFZSA-N 451.596 2.934 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1722730558 WHSIUOKEAKZUDB-UHFFFAOYSA-N 472.615 2.622 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1722736727 GDTOCLHLHJRFNK-JKSUJKDBSA-N 488.536 2.787 30 10 JFEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC1(O)CCOCC1 1723317433 CIZBEYGRTSWLIK-UHFFFAOYSA-N 452.603 2.997 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)C1 1728680528 BVBSMPPDLNPASB-MRXNPFEDSA-N 456.494 2.677 30 10 JFEE CN(C)c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1729328891 DPJHSJGIWZMLCS-LJQANCHMSA-N 453.934 2.749 30 10 JFEE CN(CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1)CC(F)(F)F 1729536337 HCIQHOMZONZCBR-UHFFFAOYSA-N 484.530 2.956 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(OC)nc1OC 1740531566 OMZAZQIDCPKVGI-HNNXBMFYSA-N 468.945 2.780 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC(C)C)nc1 1740547288 RIRJLEAGENGHQJ-KRWDZBQOSA-N 467.599 2.927 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)N(CC)CC)c1 1740562588 LAQJSMMXEIAEHR-GOSISDBHSA-N 491.596 2.792 30 10 JFEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1740568844 RWYVJXJGAXHCTP-UHFFFAOYSA-N 468.421 2.805 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740621345 VSCHMOVTBGILJI-IAGOWNOFSA-N 464.950 2.709 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740626828 NJAIRZUXVDSEPW-RBUKOAKNSA-N 474.602 2.916 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740628756 ZYGLTXBLHXFQJB-ZWKOTPCHSA-N 481.663 2.749 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C(C)C)N1CCOCC1 1740650657 ILAKWAAFXOPZMN-JOCHJYFZSA-N 463.582 2.536 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1740687072 ZXQLAMARJGHRNY-ZEQRLZLVSA-N 467.614 2.988 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2oc(CC)nc2C)CC1 1740697468 FQOLETCXVILISY-UHFFFAOYSA-N 450.543 2.625 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740702855 YLSOSSLBYZGFCF-LJQANCHMSA-N 458.651 2.647 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740711540 PNOPBSCVXGHILF-AOMKIAJQSA-N 459.547 2.955 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1 1740757535 WHXBFULEQPLZOA-DNVCBOLYSA-N 466.991 2.823 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCn2cc(CO)nn2)CC1 1740822198 ZSVXRZPSVMDBDN-UHFFFAOYSA-N 453.547 2.683 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1740960544 UOUSRLRCWSVFMZ-JOCHJYFZSA-N 496.612 2.568 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(F)F)CC2)cc1 1740965508 JZPMYOCKUIVVPL-UHFFFAOYSA-N 460.529 2.514 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](COC(C)C)C1 1740968950 HVZNVGXKECKDEI-FQEVSTJZSA-N 450.543 2.978 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1741005107 DKTNPMISADIHCR-HOIFWPIMSA-N 477.656 2.962 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1741012006 BMYWJIIRJCGFSA-UHFFFAOYSA-N 496.522 2.952 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncnn2C(C)(C)C)cc1OC 1748630071 CVEQXXHGFMXPSJ-QFIPXVFZSA-N 454.510 2.799 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccc(-n3nc(C)cc3C)nc2)c1 1748692494 XSGLVRGVUMLHAY-UHFFFAOYSA-N 454.538 2.889 30 10 JFEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748735591 IAOROSNHQZVCKV-KRWDZBQOSA-N 466.007 2.957 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748807955 DZGZAYRVZFAVKG-AEFFLSMTSA-N 476.668 2.919 30 10 JFEE 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456.543 2.865 30 10 JFEE C#CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454719 NKIATDWBVQBFIO-MRXNPFEDSA-N 452.548 2.849 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(C(=O)OCC)c(=O)c3cc(F)c(F)cc32)c1 1653058413 ARRLSVHEJRIALW-UHFFFAOYSA-N 453.401 2.786 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 1654595378 FXNZEZNEYQBOPI-FSSWDIPSSA-N 452.555 2.903 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1689926623 UWZSBIKNAWDYOW-IBGZPJMESA-N 489.624 2.983 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689980450 SGPMILYJMCEVPD-INIZCTEOSA-N 450.992 2.913 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1689984650 RTDOXEYTABGTAX-KZNAEPCWSA-N 476.574 2.727 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1689985944 FQMSJJAOMUPGCS-FQEVSTJZSA-N 465.579 2.523 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 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451.619 2.786 30 10 JFEE CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1360065699 GPIUDHASYCRELA-IRLDBZIGSA-N 487.626 2.805 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1503266796 BMWZFLKCUMCZRU-ROUUACIJSA-N 492.671 2.731 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2(O)CC(OCC)C2)c1 1507551355 WVTOSCXCKVMSJY-UHFFFAOYSA-N 451.571 2.922 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1507572386 HZAFAOUBWJLBPD-UHFFFAOYSA-N 477.956 2.955 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(OCC(F)(F)F)nc1 1507605173 RGDYIACIVMOLGA-OAQYLSRUSA-N 467.492 2.967 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1507629796 QDRYSKXHGDMYTK-VQTJNVASSA-N 467.595 2.935 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOCC(F)F)CC1 1507732938 LRKFULRYPIVYOC-SFHVURJKSA-N 482.576 2.777 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(N(C)C)CCC2)CC1 1507733418 YCBJCCFCGWURFK-UHFFFAOYSA-N 454.644 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2.995 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508142702 GCIWJPWOTDIADS-WMZOPIPTSA-N 488.532 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1508144831 HXMSAYXNRKVBKQ-UHFFFAOYSA-N 464.607 2.791 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1509296738 DBMUCQKMCNUVDZ-XDHUDOTRSA-N 465.558 2.900 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccs1 1509948643 FQRJYJSRKSNRHY-OAHLLOKOSA-N 459.601 2.633 30 10 JFEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1)NC(=O)OC(C)(C)C 1513441314 IBRYJMMGLHOPCY-UXHICEINSA-N 479.585 2.931 30 10 JFEE CCN(CC)CCCn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1515584740 GBYMGBJUQCLBEJ-UHFFFAOYSA-N 453.639 2.908 30 10 JFEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)(C)C 1517818012 FKPOIZKLBNWEFI-VXKWHMMOSA-N 479.629 2.621 30 10 JFEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1518021490 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1539804199 SIQQYIIKCVLBIX-IBGZPJMESA-N 484.022 2.577 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)n(C)c1=O 1540182412 RHOHHNRKGMNHIU-UHFFFAOYSA-N 460.582 2.691 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540867162 MUDVIZQBLHSRBG-SFHVURJKSA-N 470.574 2.749 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)C(C)C)CC2)cc1 1540877470 WNJUZCRHQUKWGI-UHFFFAOYSA-N 468.602 2.724 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cc(C(F)(F)F)ccn2)C1 1540892910 TVMDNJKJRNYIMR-CRAIPNDOSA-N 485.532 2.618 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CCc2cccs2)CC1 1540903062 XSVJXHUQUKUTBW-HXUWFJFHSA-N 479.672 2.547 30 10 JFEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)c4ccnc(O)c4)CC3)C2)cc1C(F)(F)F 1548397040 GJYJZAAZBCEBEB-RBUKOAKNSA-N 487.482 2.768 30 10 JFEE Cn1ccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 1554341277 AIIUHWPBTGJJGN-HXUWFJFHSA-N 462.558 2.896 30 10 JFEE CN(C)CCN(C)c1ccc(Br)cc1NC(=O)CNC(=O)c1ccc(C#N)cc1 1557129562 AHTIUFQCPJBLCS-UHFFFAOYSA-N 458.360 2.687 30 10 JFEE C=CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1565628025 HTTGUONMVAFSLQ-QGZVFWFLSA-N 457.434 2.809 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCn2ccnc2C)c1 1587689175 CMLPGZZGOBUEQU-UHFFFAOYSA-N 456.554 2.935 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1587809146 ZYUCXKRIPZKJTH-GYCJOSAFSA-N 468.533 2.785 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588045671 OKATXKXLEDEGEM-WOJBJXKFSA-N 473.618 2.831 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)C(=O)NCC)CC1 1588752433 SKPFKPKRJGCJMJ-UHFFFAOYSA-N 473.419 2.625 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC(F)(F)Br)CC1 1588871466 DXWYCVSDGRDNIV-UHFFFAOYSA-N 484.345 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C(N)=O)CCCC2)CC1 1588891368 ORXQLHFNAAPKIQ-GOSISDBHSA-N 496.587 2.569 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN(C)C(C)C)CC1 1588892133 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C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1595517147 QNJGXLVEXPAXEB-IBGZPJMESA-N 475.597 2.594 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595860733 WFTAADLUKONAMQ-HXUWFJFHSA-N 479.654 2.869 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3CCN(C(C)C)C(C)C)CC2)c1C#N 1612472086 GVSCEMPJXQPZAH-UHFFFAOYSA-N 490.660 2.623 30 10 JFEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1615635525 DKCSIUWXURMIOF-UHFFFAOYSA-N 486.628 2.787 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C1 1616015710 DZUXKHLJCVVGIN-QGZVFWFLSA-N 452.544 2.740 30 10 JFEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CC1 1620170480 CQIOCGCFXSSICO-UHFFFAOYSA-N 494.568 2.636 30 10 JFEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 1623659640 VBUBMLONGLKYAK-OAHLLOKOSA-N 450.944 2.942 30 10 JFEE CC(C)(C)OC(=O)NCc1ncc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cn1 1628141655 DYEONDQLRZKLFN-UHFFFAOYSA-N 450.543 2.767 30 10 JFEE C#C[C@H](NC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Br)cc1 1630902718 SVOWYJPSMLBLML-LAUBAEHRSA-N 455.312 2.677 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc([C@H]2CCCOC2)nn1C 1635872588 GCLUPFRLTMKVGG-RDJZCZTQSA-N 459.572 2.550 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689982082 HKLIDRCUUHFVNO-QGZVFWFLSA-N 472.945 2.897 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1689992254 IWXIFZVNEFAXSJ-BJKOFHAPSA-N 483.682 2.668 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1689992258 IWXIFZVNEFAXSJ-ZEQRLZLVSA-N 483.682 2.668 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1690086227 WAUTYTKMDLAGIJ-IBGZPJMESA-N 458.607 2.674 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CCC[C@H]2C)CC1 1690124521 NKUPDPMNVASOJZ-FGZHOGPDSA-N 485.677 2.632 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCc1cccc(C(=O)N(C)C)c1 1690194003 XIXMGHONHWBKAD-UQBPGWFLSA-N 453.587 2.939 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690236675 PPJLWQAHNPTQIP-CTIGNXTNSA-N 485.633 2.663 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690294423 DFLACNPOIMLCGT-GOSISDBHSA-N 455.588 2.564 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1690420981 VEVRLWWBSKTBMK-IBGZPJMESA-N 486.686 2.780 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690454091 UEVODTVPIQKLEC-HXUWFJFHSA-N 495.671 2.565 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1690508116 BJSXDESMSCMHRQ-QXAKKESOSA-N 466.629 2.801 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 1690526038 WVMNQSIXWJYIGI-UHFFFAOYSA-N 481.626 2.667 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1690642230 CMGSDVSIVNWNQA-LJQANCHMSA-N 476.622 2.558 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690663083 LQSXHMUZYCUADX-MNVSYLFESA-N 496.431 2.844 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1691555306 GXEKGZODFBDMQL-QHCPKHFHSA-N 466.977 2.994 30 10 JFEE Cc1nccnc1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1693389762 FBSYIDLKHYKBDE-HNNXBMFYSA-N 452.950 2.941 30 10 JFEE CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695495505 CMWZLJGIMBDZNY-SFHVURJKSA-N 492.559 2.629 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1705494791 FZMWVGVRGYIXEC-GBESFXJTSA-N 479.647 2.818 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CC(F)(F)F 1705495113 KPQIAINLMNVNEM-JKSUJKDBSA-N 474.528 2.539 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1705563042 PMXVOGPIUFSEJJ-HXUWFJFHSA-N 454.552 2.668 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705570533 OCKFLSNFVVKKEV-OAQYLSRUSA-N 474.602 2.842 30 10 JFEE 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466.629 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1540905688 YVTFJXKPRYOSHH-HSZRJFAPSA-N 480.638 2.970 30 10 JFEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1540911272 QBMAOFCWHYWFOA-IBGZPJMESA-N 466.615 2.959 30 10 JFEE CC(C)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1)N1CCCCC1 1541242336 CJHMYYGTAPUQHS-QFIPXVFZSA-N 459.595 2.976 30 10 JFEE Cc1[nH]c(C#N)cc1C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1546015523 CNIJPHZVUJIBTG-UHFFFAOYSA-N 457.375 2.556 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OCC(F)(F)F)cc2)CCOC1 1547918618 GCFCJJRQBBKUNP-NQIIRXRSSA-N 481.475 2.648 30 10 JFEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)CC)cc1 1547972518 CFFYAOHMUCTLND-KRWDZBQOSA-N 461.588 2.991 30 10 JFEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)C1CCOCC1 1548380305 VILDBYPBLYZJQC-HXUWFJFHSA-N 478.515 2.937 30 10 JFEE CN(CCC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1554268386 GAPSNURTLHOQIY-FQEVSTJZSA-N 457.600 2.894 30 10 JFEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1587817797 HEXWCEZGIAQHLL-CQSZACIVSA-N 455.353 2.883 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCN(c2ccncc2)CC1 1587926590 ABIPQLAHRBKFFC-UHFFFAOYSA-N 483.418 2.712 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCS(=O)(=O)C1 1588219151 NGOGDHYPWRPSCO-IBGZPJMESA-N 463.563 2.888 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1588752451 SMLRZYXJNFXPAS-VRUMLPLGSA-N 473.662 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1588908387 QEUVPFUZSSPKOL-QFIPXVFZSA-N 471.565 2.678 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1589503437 CTFVQTZFCQYEPJ-GHTZIAJQSA-N 459.978 2.875 30 10 JFEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1589687294 AOCHWUVNQZBOAX-UHFFFAOYSA-N 462.616 2.816 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1593717321 DGFWPKREBXLJJV-QFIPXVFZSA-N 452.559 2.957 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1CC)c1ccccc1 1593788825 DEHBZDZPARLBRQ-YYWHXJBOSA-N 459.616 2.949 30 10 JFEE CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1594644148 CQAPIHSOHJHKRI-VGSWGCGISA-N 458.559 2.660 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1595076258 YUCRRXPBZFPDGP-JPYJTQIMSA-N 460.600 2.542 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595149324 NAAVGAHXPBDFER-QFIPXVFZSA-N 474.608 2.757 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1595555798 HLXBYYUNVDGESD-UHFFFAOYSA-N 465.627 2.879 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC(C)(C)C2)cc1 1595613429 CTXWKJQXIHZYJH-OAQYLSRUSA-N 489.642 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1595772858 HLUWLGWNJXJXIQ-IBGZPJMESA-N 480.034 2.940 30 10 JFEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1611099010 LVEGBGSFLKGSOC-QGZVFWFLSA-N 454.321 2.833 30 10 JFEE C[C@H]1CN(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1612873479 CQFRDAJSEULOEJ-KURKYZTESA-N 454.579 2.552 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 1625542583 NMBXMNROSQFJGT-DJJJIMSYSA-N 451.321 2.998 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3N(C)CCCC3(C)C)nnc12 1648758204 IUMXIEGWIAZQSO-SFHVURJKSA-N 454.600 2.559 30 10 JFEE C#CCN(C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1)[C@@H]1CCS(=O)(=O)C1 1673232054 FDYDDYIVXPLLJO-JOCHJYFZSA-N 450.516 2.527 30 10 JFEE C=CCc1cc(CNC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)cc(OC)c1OC 1683367787 YHHNGCNBLQPBQZ-UHFFFAOYSA-N 453.539 2.904 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1689834882 AZYFETAHSDFQOS-SJORKVTESA-N 498.575 2.538 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689980019 KIMMJTPKXKUFLG-CEMLEFRQSA-N 456.612 2.873 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689992903 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2.820 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1286673072 UBPWSYJYBLMBLR-KRWDZBQOSA-N 451.637 2.668 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1286679515 QMZJYHNWNTZYCU-GOTSBHOMSA-N 494.640 2.705 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1 1286769401 UYRLQVCJKYAHQU-FQEVSTJZSA-N 472.590 2.863 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)OCC)CC1 1286782030 IFINRKSYOSCMRS-UHFFFAOYSA-N 472.615 2.856 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1297941072 ARVDZDBXKPLRNA-WOJBJXKFSA-N 468.558 2.678 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCN2CCSCC2)c1 1300332395 DKXPGEAMCYICPP-UHFFFAOYSA-N 475.622 2.754 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2sc(C)nc2C)c1 1300334262 JLLBGWUNBQYZGD-GOSISDBHSA-N 450.568 2.960 30 10 JFEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1300348222 KOSWDJXEDPYIDD-UHFFFAOYSA-N 475.601 2.808 30 10 JFEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300373287 VFXGLUFIBSYMET-LJQANCHMSA-N 462.558 2.501 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nc2c(s1)C[C@@H](C)CC2)[C@H]1CCS(=O)(=O)C1 1300479579 PRNFWXWVEPEPDX-HOTGVXAUSA-N 461.657 2.832 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1300579627 UMGGZEYBCMHTGD-UHFFFAOYSA-N 468.565 2.504 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](C)N2CCOCC2)CC1 1300707864 LKKIWWPMULMWPV-QHCPKHFHSA-N 480.657 2.765 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ncc(CC)s2)CC1 1300709909 KUAUBLNMBCHRIS-UHFFFAOYSA-N 452.584 2.688 30 10 JFEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1300756435 MQBCIWFKWWCUTG-SFHVURJKSA-N 493.637 2.565 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1301223210 PGSYEOIKMMXWBZ-BZSNNMDCSA-N 485.651 2.811 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCOCC1 1301381180 VHNATVMXTXNGIJ-UHFFFAOYSA-N 473.647 2.527 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(C)C)C1 1301586791 JMDOIOJGSXVKSH-IBGZPJMESA-N 454.543 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1301592848 DWOKJDCSYCEFHD-UHFFFAOYSA-N 496.637 2.790 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)N1CCOCC1 1301805055 BTGQOKPHKKZGBT-MRXNPFEDSA-N 495.397 2.934 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1303939153 AADUFXAXEZZHBW-NQIIRXRSSA-N 463.508 2.657 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1313459256 GOSSPOXGRXUQSG-FQEVSTJZSA-N 475.601 2.954 30 10 JFEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1316342420 CFNLLGUUPWGTCD-UHFFFAOYSA-N 484.626 2.623 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCC[C@@H](C)C2)c1 1358902205 HEBRZESAPQWZSC-RZUBCFFCSA-N 464.614 2.959 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1358903982 PYHGBQBDIKPHJZ-VXKWHMMOSA-N 478.645 2.724 30 10 JFEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1358910930 FRQXVPDFSSHMJC-HZPDHXFCSA-N 456.572 2.655 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955902 VXZUJEJQWWEDND-XZOQPEGZSA-N 469.655 2.939 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1358967139 DYKBWGAZCXDTCI-DZGCQCFKSA-N 485.429 2.629 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1358997014 AYDBAIQHEFJTMY-WOJBJXKFSA-N 452.628 2.853 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)s2)CC1 1359030177 PUEWURMQERPZCP-NRFANRHFSA-N 450.008 2.837 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1359050965 IKUZUWWGYANDCW-IBGZPJMESA-N 484.651 2.833 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359083074 BFGJOWIDDOVKEE-MOPGFXCFSA-N 495.466 2.951 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC(OCC(N)=O)CC1 1359101751 RTBBTCZAIRHDFB-GBXCKJPGSA-N 453.587 2.629 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359120904 KTQHUBFVVZDCEN-IBGZPJMESA-N 463.586 2.946 30 10 JFEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359123651 FSGRTUVCXQXFND-JOCHJYFZSA-N 452.603 2.793 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)CC1 1359144409 HRTVFLMAQYCAGZ-UHFFFAOYSA-N 467.039 2.726 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1359150603 BSTCDFFPQHADHR-LBPRGKRZSA-N 490.916 2.899 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359161555 IGBQVRGRESPUIP-UHFFFAOYSA-N 466.567 2.907 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1359275256 OLKLEXFGAGZTBE-JOCHJYFZSA-N 481.622 2.645 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1359306058 UTQVRHCHOBRFAM-ZJCBTPCYSA-N 471.577 2.736 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)(F)F)C1 1359319435 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ADCQJAGUJWZCBM-UHFFFAOYSA-N 453.524 2.843 30 10 JFEE C[C@H]1CCCCN1C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1493648328 HSHUONGFUMGLPU-UNMCSNQZSA-N 499.685 2.799 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(OCC(F)(F)F)nc1 1507517786 JLMFRRKFHRFBDC-IERDGZPVSA-N 467.492 2.967 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(-c2ccccc2)n1 1507538628 OCHYNWYFUVUWFV-QUCCMNQESA-N 492.584 2.673 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2nc(C)c(C)s2)c1 1507551297 WIITWRMUKTUVIR-SFHVURJKSA-N 450.568 2.960 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1507621812 CSPGPKURAWVQBV-LTMIRXACSA-N 476.574 2.753 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCn2ccnc2C1 1507714372 NJFDSANKQSMVDB-AQNXPRMDSA-N 483.617 2.594 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1507733124 PJTZQCBXIDQRDX-HXUWFJFHSA-N 454.644 2.939 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)C(=O)NCC)CC1 1507740487 MYAXQTWDTCOFGE-UHFFFAOYSA-N 494.640 2.602 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1508115129 HZYARAXIVPFHEK-PKOBYXMFSA-N 476.599 2.568 30 10 JFEE C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1F 1528522639 COVVBXNVEZVRGU-SFHVURJKSA-N 454.882 2.743 30 10 JFEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)nn1 1529264591 DAMSBHGUTAPCQJ-UHFFFAOYSA-N 459.959 2.868 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCc2cnn(C)c2)c1 1539040316 QUZSNBCKSAPNDE-UHFFFAOYSA-N 454.538 2.763 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539230923 ROJYGMBWNKJTDR-MJGOQNOKSA-N 479.002 2.564 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539231853 YYZANPVDPODXCM-JTJHWIPRSA-N 490.601 2.827 30 10 JFEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539371530 UVOPIRBNDBPBOU-ROUUACIJSA-N 471.531 2.953 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1539498354 VGGCQBNXOBZOJE-HOCLYGCPSA-N 468.421 2.653 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1539556692 GVYJNKFFENFMBW-VHKJGPOGSA-N 491.658 2.880 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1539573899 FYGRDPAUIOVDNJ-AWEZNQCLSA-N 473.335 2.909 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539722159 MIMJAGOGAWFRJB-UHFFFAOYSA-N 481.582 2.542 30 10 JFEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1539751980 YQJWZFAJJFLDSE-FXAWDEMLSA-N 481.594 2.540 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1539823379 BJKXHEOMJLKJRJ-KRWDZBQOSA-N 455.003 2.871 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1540041957 HTQYPNXUGBXSHL-IBGZPJMESA-N 462.595 2.611 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCC(=O)N1CCOCC1 1540121794 NJZICQUKSNSSOL-UHFFFAOYSA-N 471.565 2.962 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540860545 YFZVAHPQBUBRIC-UHFFFAOYSA-N 451.575 2.724 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N2CCCCC2)CC1 1540873714 HGJIUPCVCJCPMG-UHFFFAOYSA-N 466.630 2.829 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1540901240 XGCNYHYKKUZYCP-GOSISDBHSA-N 470.599 2.598 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540905522 WWTOHLVRAGWKGW-IBGZPJMESA-N 472.590 2.726 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]2CCC[C@@H]21 1540906911 GJRATFXRFPXXBE-SJORKVTESA-N 463.629 2.639 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@H]1C 1540910126 YOJFJSXYZPLFNJ-CYBMUJFWSA-N 453.410 2.632 30 10 JFEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)CCO1 1541073763 CUDWOAUAVVPOTN-QFIPXVFZSA-N 493.568 2.509 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCOCC2)c2ccccc2c1=O 1541801744 CDAAKIZOMDASJJ-QGZVFWFLSA-N 465.558 2.516 30 10 JFEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)cnn1C 1542117844 AZXLBRNSJMDXDC-UHFFFAOYSA-N 476.585 2.514 30 10 JFEE CCOCC(=O)N1C[C@@H](C(=O)NC2CC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376041 HESNYMFGZXVYFK-FQEVSTJZSA-N 478.515 2.937 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1554122067 GZTIAORPLCLDPI-HXUWFJFHSA-N 473.599 2.559 30 10 JFEE C=CCN(C)CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1568549320 WUFLIRWLLGEOAN-UHFFFAOYSA-N 459.568 2.839 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)cc1 1587615296 UEWDCWDPARRXAP-INIZCTEOSA-N 465.583 2.703 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C2CCCCC2)N(C)C)c1 1587683889 PQCRUODETFWWOM-HSZRJFAPSA-N 493.656 2.983 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1588065041 RVKKDIDFEOYAFO-FQEVSTJZSA-N 497.646 2.813 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCc1ccnc(C(C)(C)C)n1 1588128799 STOWLBMYBPYLKV-UHFFFAOYSA-N 459.554 2.799 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCSC2)CC1 1588967779 AXXLLYJPCGNTNI-DFQSSKMNSA-N 459.660 2.916 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(C)C(C)=O)CC1 1588993503 JSGMFBRZIHMAHW-UHFFFAOYSA-N 465.421 2.849 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1589164676 YGQYRLYMEZIAKS-NHCUHLMSSA-N 464.492 2.974 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1ccc(S(N)(=O)=O)cc1 1589228105 ISCFBIPXRVWPBO-JOCHJYFZSA-N 455.609 2.813 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1589664352 YTICLMBHJZCXOY-IBGZPJMESA-N 497.662 2.814 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1594460851 DWLKBUXEFRADSJ-XMMPIXPASA-N 486.642 2.657 30 10 JFEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1594608564 OXTCHXGLSGCIBX-UHFFFAOYSA-N 466.634 2.862 30 10 JFEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1594720773 WTLRUJGPPRVNLG-UHFFFAOYSA-N 493.612 2.934 30 10 JFEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1594793721 PQYLIJXEXCQAHS-IBGZPJMESA-N 469.553 2.786 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595594810 PVBHIXILRYDRMW-DOTOQJQBSA-N 466.007 2.766 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1595761041 WQGPQPKFBXHOJE-PMACEKPBSA-N 486.598 2.690 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1595773196 TZHQXXAGFMKISD-UHFFFAOYSA-N 483.594 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1595838188 NBSDFTZAAARYIP-QESAQDPVSA-N 490.626 2.569 30 10 JFEE C=CCn1c(SCC(=O)N2CCN([S@@](C)(=N)=O)CC2)nnc1-c1ccc(Cl)cc1 1637507067 QVAXNCLGKYZFTQ-GDLZYMKVSA-N 455.009 2.612 30 10 JFEE C=CCn1c(SCC(=O)NC2CC(CO)(CO)C2)nnc1-c1ccc(Cl)cc1Cl 1641696713 IEHQHFSBUHLURX-UHFFFAOYSA-N 457.383 2.780 30 10 JFEE CCC1(CC)[C@@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1OC 1653628289 FVSTVOVYGBWPGJ-VQTJNVASSA-N 455.559 2.980 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 1666111158 UCIBGRJKNSZNIC-UHFFFAOYSA-N 453.517 2.627 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1689865337 RVFXPTIBJXHRKE-OALUTQOASA-N 450.543 2.724 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1689867720 WPNYWFWEPYZEQQ-HNNXBMFYSA-N 454.021 2.717 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1689940279 TTWSNTLIJGSYCI-SFHVURJKSA-N 465.558 2.854 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992397 KJTDJMFGMINSNJ-MOPGFXCFSA-N 481.663 2.606 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689992720 OGDDOUVNCNEJIY-IBGZPJMESA-N 469.636 2.930 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CC 1690088877 ZPGRVQOGSXWSQH-WIYYLYMNSA-N 476.622 2.542 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1cc(C)oc1C 1690096438 SWHKVJJVCANQHH-DEOSSOPVSA-N 486.594 2.552 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690114994 NTNNYKSWWABUIR-UHFFFAOYSA-N 468.602 2.966 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 1690245156 DLBSVQWUWCHNCP-FKVLARQCSA-N 489.642 2.790 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690247823 GVPIFCNJXYJGPV-ZJSXRUAMSA-N 458.651 2.592 30 10 JFEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 1690322085 UMBTYRNOUBCEEC-UHFFFAOYSA-N 476.541 2.760 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1690668068 RGCNYNOTEQEKQO-IBGZPJMESA-N 483.370 2.983 30 10 JFEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1695159646 FMVLBBXRKOVFSC-SFTDATJTSA-N 473.599 2.701 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1705517079 OFYZECBLQGUSRH-IBGZPJMESA-N 477.656 2.773 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1705560884 LOGADZWWJVQODW-ONTIZHBOSA-N 470.595 2.562 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705567634 ZKXPSJUHRFZLTM-INIZCTEOSA-N 464.975 2.501 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705567857 BALIGOUKHCVTTR-JOCHJYFZSA-N 496.637 2.544 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705590528 NRPVDYXGOLNXAL-VWLOTQADSA-N 459.554 2.535 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2c(C)cccc2C)CC1 1705634903 MAYFOIQFYZCMHV-AREMUKBSSA-N 467.614 2.770 30 10 JFEE C#CCSCCn1c(N2CCN(C(=O)c3ccc(C)s3)CC2)nnc1[C@@]1(OCC)CCOC1 1705664834 CIGASHIMFIJKCB-HSZRJFAPSA-N 489.667 2.629 30 10 JFEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705689942 FASJSIKRACZRMA-UHFFFAOYSA-N 474.407 2.740 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705736535 VWQRZGFWARZIFY-QZTJIDSGSA-N 462.595 2.658 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)c2cc[nH]n2)CC1 1705777277 CRLCJEFTALHGMF-UHFFFAOYSA-N 473.379 2.602 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1705782233 RKHKMTCXQRFWKJ-IBGZPJMESA-N 490.626 2.851 30 10 JFEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705791877 GUBYKTRGMNSHDB-LJQANCHMSA-N 453.653 2.710 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705898886 BDRDUSCLYROEBQ-UHFFFAOYSA-N 459.982 2.531 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705909144 OTEBCGOVFROTSZ-FYYLOGMGSA-N 494.640 2.898 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C)[C@H]1C 1705936526 SHCUSWZCBRNFIN-MDZRGWNJSA-N 464.613 2.722 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1706076800 CWOJNCFWIGWUSG-FPOVZHCZSA-N 493.637 2.766 30 10 JFEE CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1708691307 DTERGJXCGQOTPO-XUZZJYLKSA-N 454.623 2.946 30 10 JFEE CCCNC(=O)c1cccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OCC)CCOC2)c1 1709808021 ARZKZAIYOKGJTN-RPWUZVMVSA-N 470.549 2.560 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722325101 DZDFWFUEOVJIAK-IBGZPJMESA-N 462.514 2.664 30 10 JFEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722325436 JSGYADUIGWYTII-UHFFFAOYSA-N 481.507 2.780 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1722355018 CVPWTZAAHQGJMM-VXPUYCOJSA-N 475.336 2.760 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722366544 RSWCBRKYIPFSLN-GOSISDBHSA-N 479.597 2.504 30 10 JFEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1722367087 KOPANDNDQYDJFI-PKOBYXMFSA-N 458.584 2.506 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722367585 WQLXIVHVWLNPCQ-JEEBJRHZSA-N 490.601 2.999 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 1722368642 UGYZEEZAERRFBO-OAQYLSRUSA-N 483.638 2.669 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722370815 FBBZZSTZUAKWTF-IFMALSPDSA-N 488.654 2.760 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC=C(C)C)CC1 1722443098 CHRCANLBFPBVRF-UHFFFAOYSA-N 498.653 2.518 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCOCC1 1722458008 VKVQWBCYLRJMCK-UHFFFAOYSA-N 452.584 2.658 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1722520481 RFEYZMPIFAPOMS-OAHLLOKOSA-N 452.328 2.764 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722528893 QPZZEWYBDTUYSF-SFHVURJKSA-N 453.547 2.837 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCOC1 1722656124 WGZGCSVDQOYUHH-RPBOFIJWSA-N 467.570 2.534 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722661197 WMJBAXZNWOAZKV-FXAWDEMLSA-N 463.579 2.743 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722726034 XEVUMWGMPHLCJI-HXUWFJFHSA-N 475.521 2.797 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722729313 JCURFFDYTGSUAJ-UHFFFAOYSA-N 498.506 2.844 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OCC)C1 1722736577 BJEBXBGERNQDLV-GUDVDZBRSA-N 454.637 2.803 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)n1 1730649614 FSSTVFLZRXXONR-QMHKHESXSA-N 451.531 2.576 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN2CCC[C@H](C)C2)c1 1740565671 ZNOUITPVJFMOFC-SIKLNZKXSA-N 450.587 2.918 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740595803 KRIHBCAROHZGPF-LJQANCHMSA-N 472.553 2.656 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740626924 CYVCRSYJGIYJAL-CEMLEFRQSA-N 485.654 2.886 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740632896 QMBHQAXHVKCXIJ-RUZDIDTESA-N 483.620 2.817 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740641824 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30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740760150 GWDOHOSYYHRROC-ZRNYENFQSA-N 466.648 2.945 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740790328 XVLCNNMQABMEPD-UHFFFAOYSA-N 455.950 2.778 30 10 JFEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740864494 LWBKWVGOCMUMAK-UHFFFAOYSA-N 487.655 2.896 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740874519 CXYSFUIRSDJQSE-KDURUIRLSA-N 465.602 2.704 30 10 JFEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740948905 QWCFMLAYDOIDTO-HSZRJFAPSA-N 468.646 2.837 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1740971684 SUCOKMRYFHSMJW-RUZDIDTESA-N 485.585 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1c1nncn1C 1740993990 LKFMQSYODUSSOH-LJQANCHMSA-N 485.614 2.545 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1748808809 OAFKPNPGYRPFTR-JOCHJYFZSA-N 490.589 2.676 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCN(CCN(C)C)CC1 1748828351 CZEDDSZUILIEJV-UHFFFAOYSA-N 470.625 2.682 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1748994336 YQELBKTUTNMMCC-PMACEKPBSA-N 455.676 2.757 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1748995135 YHXHNYMKJNOLCQ-UHFFFAOYSA-N 493.637 2.645 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2COC)CC1 1749009961 NIRAWNRWFCWUKS-QFIPXVFZSA-N 451.571 2.680 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1749080947 YTEKCTQOVTXAEV-AOVHMQEWSA-N 461.632 2.952 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS1 1749531600 NOUNCIXDJQZMOR-LPHOPBHVSA-N 460.629 2.848 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1749667081 SJJHMYNFJXQFGH-UHFFFAOYSA-N 475.597 2.672 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1749677046 LUEGWFNFGKPMBH-UHFFFAOYSA-N 484.601 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30 10 JFEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300353196 HDTCZCKWYUFLQK-UHFFFAOYSA-N 450.587 2.502 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1300485719 YMCHKUAQKOOZGR-FCHUYYIVSA-N 480.638 2.845 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1300503481 CUJNZJFDYJLWIO-SFHVURJKSA-N 486.619 2.911 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)nc1 1300578992 RARNSGATLJYDBH-OAQYLSRUSA-N 464.570 2.801 30 10 JFEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300587255 LAANFCNPPNIGTK-FGZHOGPDSA-N 457.644 2.678 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1COC 1300671733 NZKCSPMHHWWFIH-JOCHJYFZSA-N 499.612 2.867 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnc(CC)s2)CC1 1300726732 OOOCAGMHMOTDBS-UHFFFAOYSA-N 484.029 2.950 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCSC2(C)C)CC1 1300726821 RSIVFXLQWBOAKF-LJQANCHMSA-N 452.628 2.761 30 10 JFEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300751688 NQABEVJPKWUBEZ-JOCHJYFZSA-N 473.002 2.779 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1300762116 NTLZVKILORMVIH-GOSISDBHSA-N 460.673 2.880 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1300780935 ZGARBZUBSMVQQU-QVKFZJNVSA-N 463.554 2.890 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300889879 RWKIMXZCWGBEJY-JYFHCDHNSA-N 480.657 2.896 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301222639 BQBTWRZUAGVXCY-RBUKOAKNSA-N 489.621 2.593 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301485496 WHXVQCPHXRFIIN-CVEARBPZSA-N 472.615 2.711 30 10 JFEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1 1301519913 ZOUIFOJQYKQFDG-SFHVURJKSA-N 450.547 2.547 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1301529681 LIWHPPDGXAXTSO-UHFFFAOYSA-N 466.508 2.714 30 10 JFEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1301830325 ICPKGVLTFMXBNQ-QGZVFWFLSA-N 450.547 2.853 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358958272 KNYIQVKBLQEHPX-GHTZIAJQSA-N 457.644 2.819 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358965847 BZTMVPJPQURHTP-WPYKKVEZSA-N 483.638 2.969 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1358967998 XECQNOCIWFXNRN-JOCHJYFZSA-N 479.606 2.738 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1358968041 YBOXXKHYYWAGDX-RCCFBDPRSA-N 456.559 2.972 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCCC1 1358987861 VKRVKAGIUWHOIT-FQEVSTJZSA-N 453.612 2.543 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[C@@H]2COCCO2)CC1 1359039169 YSDOTNLULXECFT-JOCHJYFZSA-N 467.614 2.850 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)(F)F)CC1 1359129950 SQGYXANQIMPXLL-UHFFFAOYSA-N 453.465 2.951 30 10 JFEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1359138067 ISBXPIMHBOIUIT-UHFFFAOYSA-N 465.989 2.965 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(S(C)(=O)=O)CC2)CC1 1359179556 YEXXDLZJNSVWPV-GOSISDBHSA-N 495.646 2.566 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1359257520 MKDQTLPMYHHSFV-UYAOXDASSA-N 469.615 2.855 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1359291748 AZOAUUBLQLWQBA-PZJWPPBQSA-N 468.602 2.690 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1359292404 OLELQARSYPGRAP-HZPDHXFCSA-N 459.982 2.997 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1359304856 LQECDHLBMYBXAZ-OAQYLSRUSA-N 455.559 2.563 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359310011 JQQOGUNQCGIRMN-IBGZPJMESA-N 466.586 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1359331687 GCZKYSPEBCFVIC-RTBURBONSA-N 479.647 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1c(C)nn(C)c1C 1359333190 QEYJOLBMXLKFOY-UHFFFAOYSA-N 478.569 2.735 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359334653 MXACQPFKJBLCFX-OYRHEFFESA-N 493.718 2.937 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359336451 QFFNLCMHXJOQIU-KDURUIRLSA-N 464.680 2.661 30 10 JFEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CCO1 1359521695 DHPJRMJZHAFTKE-FGZHOGPDSA-N 452.603 2.915 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 1457768425 IQOMMWPZTCEODA-UHFFFAOYSA-N 459.955 2.742 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@@H](c2ccc(F)cc2)C1 1471702233 GGWAAWMGEBHWGO-VQTJNVASSA-N 458.559 2.596 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1476223231 MCEZMBJJGOKRMS-GOSISDBHSA-N 457.477 2.816 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 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C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1507697903 FBQKELCEYPTNAF-HSZRJFAPSA-N 459.591 2.664 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2cccs2)CC1 1507715435 AYTRRIXRMUKYBF-RUZDIDTESA-N 478.622 2.872 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCNC(=O)C(C)(C)C)CC1 1507722112 PJBAZMZKXFCQOM-FQEVSTJZSA-N 482.629 2.734 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCC[C@@H](C)C2)CC1 1507742115 AXDRRZBRMXECQY-HXUWFJFHSA-N 466.605 2.706 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1507789502 YQVLFGVODKQRLS-FZKQIMNGSA-N 454.394 2.927 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1507844332 IEHNBKUOVREQOI-LJQANCHMSA-N 459.978 2.991 30 10 JFEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507846962 ADUWIYGRWOLXJU-QFIPXVFZSA-N 469.586 2.586 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(CC)nn(C)c2OC)CC1 1507895203 VROMFVDOUXGXRN-UHFFFAOYSA-N 450.547 2.681 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1507935229 OIVOWFDCMIXLMJ-LJQANCHMSA-N 473.647 2.777 30 10 JFEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1508087876 FGIGPPRXQPRLDY-RTBURBONSA-N 458.607 2.977 30 10 JFEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1509446197 DJAZCEKYRGNJSJ-UHFFFAOYSA-N 482.585 2.663 30 10 JFEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1513146028 BJWAFIHATSTIJB-GHTZIAJQSA-N 458.632 2.951 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 1525868993 BHSUHAZTVQPIEG-AWEZNQCLSA-N 452.316 2.647 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(OCC)cc2)c2cccc(Cl)c2)C1=O 1534393617 ZYLZGXWXINXZNX-HXUWFJFHSA-N 455.898 2.921 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1539230544 NXBKWNYQORPRDL-SFHVURJKSA-N 460.625 2.688 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCc2cc(OC)ccc21)[C@H]1CCS(=O)(=O)C1 1539231471 SNLAAEFKNULDBP-PMACEKPBSA-N 472.611 2.570 30 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C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(Cc1ccnn1C)C1CC1 1539780489 QPRWMIZGOPBMMR-UHFFFAOYSA-N 476.006 2.850 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1539977924 UXKDRCPJUICBBL-UHFFFAOYSA-N 495.609 2.544 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1540169490 FBZSCUPQYJTSGB-GOSISDBHSA-N 467.542 2.581 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 1540866113 CLUXCYFWARVTMA-HNNXBMFYSA-N 459.856 2.677 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1540875303 HNDGBWRFXJVERG-UHFFFAOYSA-N 468.627 2.772 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)CN2CCOCC2)C1 1540884885 WWXLMSYSUKPOIP-WMZOPIPTSA-N 479.423 2.785 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)Cc2cccc(F)c2)C1 1540889328 JCUYTCNIGBLDCE-NRFANRHFSA-N 450.518 2.619 30 10 JFEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1541235824 CHBNHGPXITVOKJ-JPQMRUPTSA-N 457.600 2.893 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1740709482 HBXHLROVMNGZHQ-HXUWFJFHSA-N 488.633 2.743 30 10 JFEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1740713172 HHDXATUCXXVGDA-UHFFFAOYSA-N 479.658 2.844 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740738143 FTUOZCJBAZFBMW-XJKSGUPXSA-N 495.330 2.994 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1740836850 UAWPHIWJYOACIG-DEOSSOPVSA-N 474.627 2.948 30 10 JFEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740944641 BQJYHZILMFOGSC-MRXNPFEDSA-N 473.419 2.991 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(C)(C)O)cc2)C1 1740970251 IBXLBHKFABQRTE-FQEVSTJZSA-N 462.554 2.982 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCc1nnc2n1CCCCC2)S(C)(=O)=O 1741141300 HZENMMNJDKCQPG-MSOLQXFVSA-N 496.641 2.635 30 10 JFEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1746148273 DHHFWYRBZVBDTJ-HXUWFJFHSA-N 458.570 2.527 30 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C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)CN1CCOCC1 1749060018 HUZROEPMENHGSV-KBMIEXCESA-N 453.587 2.923 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCN1CCOCC1 1749116059 ZFXUIQDDMNGDPK-GMAHTHKFSA-N 482.629 2.897 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1749143162 DTKDWDADWODZCD-ROUUACIJSA-N 464.611 2.956 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749181464 HOKMIEJYZMJPQA-UHFFFAOYSA-N 477.382 2.823 30 10 JFEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749616064 NSZRUFACXDBJPL-GDBMZVCRSA-N 456.938 2.789 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1749671085 YSMYTVWBDDSCSN-NRFANRHFSA-N 485.585 2.887 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CCN2CCOC(C)(C)C2)cc1 1749683732 DQYJMDBTWKYYNN-UHFFFAOYSA-N 465.602 2.839 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)C1 1749712462 IWXWVLVJQFUOCI-PMACEKPBSA-N 462.641 2.895 30 10 JFEE 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C=C1C(=O)[C@@]23[C@@H](OC(C)=O)C[C@@H]4C(C)(C)CCC[C@]4(COC(C)=O)[C@@H]2C(=O)C[C@H]1[C@H]3OC(C)=O 1076432033 BDTDXIPXZDVGOC-PJGIKKRESA-N 474.550 2.960 30 10 JFEE Cc1ccc(-n2c(C)cc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2C)cc1 1081095283 TZXROOVOEDHVER-UHFFFAOYSA-N 476.585 2.707 30 10 JFEE C=CCn1c(SCC(=O)NC2(CC(=O)OCC)COC2)nnc1-c1ccc(Cl)cc1 1179899810 KPUZFYCXTPEFQA-UHFFFAOYSA-N 450.948 2.715 30 10 JFEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](CO)c3ccc(Br)cc3)C2=O)cc1 1226109725 CBAAOXWAFBCPFX-RTBURBONSA-N 457.328 2.849 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286389610 NGSLYHTWXPATOR-NRFANRHFSA-N 470.643 2.541 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCC 1286428866 XJTXBLNWWWRZPU-OAQYLSRUSA-N 494.596 2.891 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286467595 YNNYKYOUQUNKCN-HDICACEKSA-N 460.648 2.608 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nc(C)cs2)CC1 1286480935 RHFRWVNQEDRVSF-IBGZPJMESA-N 485.658 2.961 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286495650 BKOHNZLXVYFHSL-IAGOWNOFSA-N 485.614 2.641 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286512434 UTVDWKMWTUIBNQ-UHFFFAOYSA-N 477.594 2.714 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286559886 ZAXCAFGMZCKKAJ-ATIYNZHBSA-N 495.672 2.626 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CC1CC1)c1ccccc1 1286616957 GKJZNGHYGZKUEZ-NRFANRHFSA-N 459.616 2.951 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2C)CC1 1286645674 GXHFADXENMLEQL-NRFANRHFSA-N 459.616 2.627 30 10 JFEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1286711228 JLFUALKIHXTOAH-NRFANRHFSA-N 471.577 2.795 30 10 JFEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1287017953 CMSFJOSJAFYCRR-KRWDZBQOSA-N 480.491 2.659 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1298324808 AZIGIPPNXQXLBJ-UHFFFAOYSA-N 463.361 2.588 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCCCC2)c1 1300333889 DVPIMYKORLJIIM-UNMCSNQZSA-N 464.614 2.960 30 10 JFEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1300356349 BQOPQJBRIGJMPL-LJQANCHMSA-N 475.597 2.926 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300500780 DEJJMBZACWVLSR-IEBWSBKVSA-N 479.647 2.551 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1300701410 RVUNSMOGJFPNFG-UHFFFAOYSA-N 484.092 2.551 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300743019 DYGWYBXUZFAMHW-UHFFFAOYSA-N 495.653 2.775 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](OCC)C1CCCC1 1300780982 ZTDOQZJNAVRAMZ-LRXVAGHRSA-N 451.637 2.866 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1COc2ccccc2O1 1300862810 FZTYGYVMCZZHPN-LQWHRVPQSA-N 455.559 2.674 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300870510 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C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 1301576316 CNQDXHRXVXQRQK-UHFFFAOYSA-N 496.033 2.655 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1301720781 GDHNFKPOCPJRIY-LBPRGKRZSA-N 458.320 2.606 30 10 JFEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1=O 1301862062 DGJNWMDZVDEPKL-IRFCIJBXSA-N 466.586 2.706 30 10 JFEE CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1302397856 GCISJUYMUOOSAH-QFIPXVFZSA-N 466.586 2.993 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(F)(F)F)CC2)c1C#N 1304731228 HKEBWYKQKPCLKQ-NVXWUHKLSA-N 480.539 2.999 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1305789933 GLTQCFCENJUCNX-QGZVFWFLSA-N 495.506 2.504 30 10 JFEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1c(I)cnn1C 1356183088 UMVUQBPJTAFRGR-UHFFFAOYSA-N 456.236 2.768 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1c(CC)nn(C)c1OC 1358871035 YYVXSHISSVRVEA-OAHLLOKOSA-N 469.977 2.672 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)c1 1358901691 TZRQUABBERMIKZ-UNMCSNQZSA-N 498.653 2.662 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 1358906320 CYQMXXAOQBHFRX-UHFFFAOYSA-N 454.556 2.550 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1 1358913516 PMBRLJMONFRGCK-SFTDATJTSA-N 457.600 2.756 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1358924158 NVSDIPFXZVWGLU-UHFFFAOYSA-N 467.936 2.972 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358958811 WHROWVZLWZJAIL-HXUWFJFHSA-N 493.029 2.811 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1358967146 FBUJFAVUFXEUHI-XUVXKRRUSA-N 480.675 2.886 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(C)COCCO2)CC1 1359030417 VXDPRQJQYKCKOQ-BWKNWUBXSA-N 453.587 2.596 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359087283 ZSRBDEXPRPAVQO-GJZGRUSLSA-N 465.421 2.851 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(F)(F)F)CC1 1359123454 NJJWBHSZLVAYSK-UHFFFAOYSA-N 477.579 2.903 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1359126802 ZJPYKYAPTIDJLZ-GOSISDBHSA-N 485.589 2.869 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1359193305 BXOYGMCTCJVROY-NRFANRHFSA-N 489.580 2.580 30 10 JFEE C=CCCCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1359221386 ZXPIEDGXPFETMK-RUZDIDTESA-N 453.587 2.788 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1359255418 XQFSAMSRHVJEIW-GOSISDBHSA-N 488.639 2.784 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1359256791 PXAHDUKFSLWEEF-OAQYLSRUSA-N 477.569 2.772 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359294436 TXFAFIIEWPULMZ-GOSISDBHSA-N 492.584 2.741 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1359298538 COFWPMVKDWSLJF-SJORKVTESA-N 481.626 2.605 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(c2nccs2)CC1 1359303940 GFEOCOORMQBIKF-UHFFFAOYSA-N 481.626 2.949 30 10 JFEE C=CCSCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346833 XGWLXRUSCSFRHB-XQBPLPMBSA-N 452.621 2.622 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1360466767 IBHKDQLBLBOKDD-IRLDBZIGSA-N 488.596 2.955 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)s1 1453382702 RBVYVPFHNRBTOZ-UHFFFAOYSA-N 457.990 2.904 30 10 JFEE Cc1nc(CN2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2)cs1 1462781149 HBGOEGWWVSXYRF-UHFFFAOYSA-N 459.366 2.731 30 10 JFEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1479217162 KMPQYJVYORMWJR-UHFFFAOYSA-N 451.589 2.872 30 10 JFEE Cc1noc(C)c1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1493003146 DLGMMSZHFDJKPQ-UHFFFAOYSA-N 454.556 2.936 30 10 JFEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)Oc1cccc(F)c1 1497172560 GZRJDXHSJKJJQO-MAUKXSAKSA-N 464.567 2.625 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1507624648 CTALNNYSLRACPA-IBGZPJMESA-N 487.532 2.811 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507626693 GTVSVXQBWGDHCH-GOSISDBHSA-N 477.993 2.626 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCS(=O)(=O)C1 1507635926 WHTZLZJXUCZWJZ-GOSISDBHSA-N 493.029 2.771 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCCC1=O 1507691586 KSJDFVABPLAWFW-FQEVSTJZSA-N 488.633 2.839 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccs1 1507711226 RCWGGFOCRBAQPG-IBGZPJMESA-N 475.615 2.977 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(I)cc2)CC1 1507731829 QFRIVKJXEATKHT-GOSISDBHSA-N 491.377 2.580 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1507731981 GZYNAKPQFJUQCI-SFTDATJTSA-N 453.587 2.826 30 10 JFEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1507751736 MPONUSUEINIMFU-KRWDZBQOSA-N 452.584 2.827 30 10 JFEE 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C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539507147 RKUPRLGJFJACCO-DEOSSOPVSA-N 469.611 2.825 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N2CCOCC2)CC1 1539874241 CTBXYZCTAKJJMF-UHFFFAOYSA-N 477.407 2.697 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539925678 AWKNBLAUCCFMHT-SZPZYZBQSA-N 499.704 2.629 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1540856963 LJHNGQKHCWVOQQ-UHFFFAOYSA-N 453.572 2.808 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H](C)C1CCC1 1540870935 ADWPKTFLMLYIKW-HKUYNNGSSA-N 476.622 2.904 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540881747 RLYIPWOGFADFCP-RUZDIDTESA-N 485.585 2.820 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(SC)CCOCC2)C1 1540883845 FUWLXAFOHSHCBU-XMSQKQJNSA-N 452.621 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1540900824 JIKHYQHWEUWVQU-GOSISDBHSA-N 492.646 2.626 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCOC2(CCCC2)C1 1540903452 DXPYZWKSSLZBQK-UHFFFAOYSA-N 466.554 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2cc(F)cc(C)c2C1 1540905414 WBYJBGAYOPFEQN-UHFFFAOYSA-N 455.559 2.875 30 10 JFEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1542987650 DDUIADNKRLAHCY-UHFFFAOYSA-N 458.526 2.827 30 10 JFEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1547250210 BFHQATIXTRVEFF-WIYYLYMNSA-N 465.602 2.864 30 10 JFEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1547311716 GDTYUAPZMPTXDI-UHFFFAOYSA-N 487.612 2.844 30 10 JFEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCN(CC)CC2)C1 1548216568 GUSNHZLGJCAIGX-JOCHJYFZSA-N 451.619 2.707 30 10 JFEE CNC(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1ccn(C)n1 1548380436 USQKTHQOHYIJON-IBGZPJMESA-N 474.487 2.558 30 10 JFEE COCCNC(=O)N1CCC2(CC1)C[C@H](C(=O)NC1CC1)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548381738 FJQOGOJRMGQXCX-HXUWFJFHSA-N 493.530 2.873 30 10 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474.631 2.610 30 10 JFEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1594679530 GNYAWUVSJIZQNG-QGZVFWFLSA-N 451.568 2.995 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594798057 NOUUABFOEOUMFG-BWKNWUBXSA-N 496.656 2.925 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1595335597 WUXCMNWXUPWMGQ-UHFFFAOYSA-N 491.434 2.893 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595556163 PQFCUKDLHALJQQ-KRWDZBQOSA-N 450.509 2.552 30 10 JFEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595851068 XEIPDQXEUAGICS-UHFFFAOYSA-N 460.629 2.596 30 10 JFEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNc2nccc(C(F)(F)F)n2)C1 1596421010 FFKSRHTYIUDGFC-SFHVURJKSA-N 499.501 2.843 30 10 JFEE C#C[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccc(Cl)cc1F 1597002710 LLBAHURIWDQKQZ-GQNMWPQZSA-N 470.950 2.551 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1615999348 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30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1690188402 ISPCQLYYRINKDD-NNWRFLSQSA-N 472.611 2.955 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690278880 UAYRXAOZMIYAGL-HXUWFJFHSA-N 484.630 2.821 30 10 JFEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690469522 SIKOFPKOTXLXRU-WOJBJXKFSA-N 474.650 2.726 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1690580766 FPUXGYKIQWDFJP-CTNGQTDRSA-N 451.575 2.680 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690694806 VYNUAUUKCFTOOI-HZSHHLKBSA-N 468.945 2.906 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CCN(C)CC2)C1 1690712610 ZJTQWONFOCOLPL-FQEVSTJZSA-N 459.664 2.748 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690735922 MRRXMYINMHYKDO-OAHLLOKOSA-N 488.477 2.979 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690749102 RNEVMMKCUGUZSJ-UHFFFAOYSA-N 450.616 2.917 30 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457.280 2.875 30 10 JFEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1 521789809 MHLMGSNVNXHEDY-LJQANCHMSA-N 476.576 2.969 30 10 JFEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1 586508475 WRRZIECHCLBEQU-AOCRQIFASA-N 470.547 2.812 30 10 JFEE C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn3ccccc23)c1=O 729668891 GLDYANYGCZNPQP-GOSISDBHSA-N 495.564 2.579 30 10 JFEE COc1ccc(-n2c(=C(C#N)C(=O)CC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729669115 ZAELUKSZNMOPNF-UHFFFAOYSA-N 458.543 2.674 30 10 JFEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)n[nH]1 1084038250 JYXIDLOUHLPUDC-UHFFFAOYSA-N 482.492 2.806 30 10 JFEE COc1ccc(OC)c(C=NNc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)c1 1084495618 RCTNELPFVJZMLW-UHFFFAOYSA-N 457.472 2.907 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCc1cn2c(n1)SCC2 1128275174 HNYXEUPBNHWTQZ-UHFFFAOYSA-N 451.346 2.759 30 10 JFEE C=CCn1c(SCC(=O)N[C@@H](COC)C(=O)OC)nnc1-c1ccc(Cl)cc1Cl 1137810803 XKKJHNZPJYWKPR-AWEZNQCLSA-N 459.355 2.834 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](CN(CC)CC)C3)nnc12 1160886284 PWUDZIXAMGFZOU-QGZVFWFLSA-N 454.600 2.513 30 10 JFEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)[C@@H](CO)C1 1161344219 KSHUFBGMOVVXTQ-CQLNOVPUSA-N 450.535 2.672 30 10 JFEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCCCC1 1190699742 NMQLVDSNAPBSSK-UHFFFAOYSA-N 453.992 2.567 30 10 JFEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4snc(C)c4C#N)CC3)CCC(=O)N2C)cc1 1274554485 CEQVNAPODBVGQN-RXVVDRJESA-N 453.568 2.590 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286364039 XJNXUZVDFPEFGF-OFVILXPXSA-N 454.571 2.913 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1286393944 SGPAIDUUWIJDKG-SFHVURJKSA-N 477.562 2.587 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286398748 OIMMUKNOJBSNSG-PLACYPQZSA-N 479.691 2.554 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1286424637 FFMZTARPQMHSQY-QFIPXVFZSA-N 465.598 2.782 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)c1occc1C 1286431296 VNXCKQSHRQEHSB-UHFFFAOYSA-N 469.549 2.701 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1286436756 VDVVWAPFAVVKAD-CZIZESTLSA-N 487.333 2.833 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1286504422 QYGBCXKUDDUSPH-INIZCTEOSA-N 458.613 2.646 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286529988 CIVJZALSMZAOOU-UHFFFAOYSA-N 480.436 2.510 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286604631 NOIMVYSRSQVBSB-AUSIDOKSSA-N 471.602 2.712 30 10 JFEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 1286706759 TZVFOFPFHBSEGL-OAHLLOKOSA-N 453.996 2.697 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CCN1CCN(C(C)=O)CC1 1286763840 VWFYRCQCZKKHIO-UHFFFAOYSA-N 452.559 2.839 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 1286793711 KCJYORHLITUGPF-FQEVSTJZSA-N 480.613 2.820 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286824714 HANNRAVNAVGHSZ-SFHLNBCPSA-N 495.690 2.683 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286828425 MSGBKFFREZVCEI-KNQAVFIVSA-N 469.659 2.638 30 10 JFEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 1298037015 FLRJIBCFKRZBHV-NRFANRHFSA-N 479.610 2.795 30 10 JFEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300344386 BCZQLZRAGRIYDZ-UHFFFAOYSA-N 481.626 2.904 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1300459346 BITYTVDENSSZDT-UHFFFAOYSA-N 487.630 2.707 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300488207 PLZXYLUVCZGQSK-XXBNENTESA-N 485.997 2.528 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300489299 LSMJZJUEFDMZLG-QGZVFWFLSA-N 480.537 2.634 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccn(-c3ccc(F)cc3)n2)CC1 1300681966 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C#CCSCCn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359062239 ZZRGOTWONQAVCH-URXFXBBRSA-N 487.674 2.810 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1359113576 LLTJEJVXFARMOU-VXKWHMMOSA-N 473.643 2.656 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359117234 OLASRTNEAGIYFM-INIZCTEOSA-N 451.568 2.994 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc(-c3ccccc3)n2)CC1 1359174004 UTSDXXRESRTQEM-MRXNPFEDSA-N 456.572 2.994 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1359194548 XAPWHARMHFJQLN-SFTDATJTSA-N 450.587 2.942 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359208682 RDPRCVCHAPDFPP-WOJBJXKFSA-N 452.669 2.803 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359297390 OWXAPBZXJSJVKJ-CQSZACIVSA-N 474.281 2.777 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359302046 VPACENRMOYFDQG-FQEVSTJZSA-N 468.993 2.874 30 10 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C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2([S@](C)=O)CC2)c1 1507553079 WNFWYEMRCUSUOW-YTTGMZPUSA-N 453.612 2.978 30 10 JFEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507560382 HDVQGZVZBHUWMT-FCHUYYIVSA-N 450.587 2.672 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1507566854 MKVUKGUHHDMEBY-UHFFFAOYSA-N 477.657 2.981 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507581713 YPXPHWGNRSXTMN-OAHLLOKOSA-N 467.389 2.753 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC[C@@H]1CCCO1 1507671035 FSATWLDBRHTVBQ-NZQKXSOJSA-N 450.539 2.839 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1507700531 SCIXDLWKJFRVIG-IBGZPJMESA-N 490.649 2.932 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccc(F)cn2)CC1 1507723021 RGNKIKWCLBYEMN-UHFFFAOYSA-N 450.518 2.690 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1507739964 MJOPYSGQOOFQJH-NRFANRHFSA-N 477.638 2.594 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)cc2C1 1507751162 LEKMHWKLBXHCQV-INIZCTEOSA-N 451.017 2.763 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1507768185 MFFPKLVWIKCOHQ-QZTZHPFYSA-N 456.591 2.868 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1507797305 CTGVGTQNGAAXPY-AOIWGVFYSA-N 457.604 2.815 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1507899009 YWVUHBSOHYMVNV-XMMPIXPASA-N 457.550 2.902 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1507930887 KUZVLYPIWHFCGI-UHFFFAOYSA-N 450.543 2.938 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1508071858 GERULJFLENOTDH-SFHVURJKSA-N 470.480 2.901 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@H](C(F)(F)F)O1 1512495941 DCFLDGCZPKVXCN-MAUKXSAKSA-N 476.463 2.567 30 10 JFEE CCC[C@](C)(O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1514271274 CIFWLGVTEOCHSF-LOSJGSFVSA-N 486.592 2.819 30 10 JFEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ncnn1C(C)(C)C 1516565400 DHKVKWRLWLZGMK-UHFFFAOYSA-N 477.617 2.793 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1539204671 BGOQMCFKPJIUNP-MLHJIOFPSA-N 492.564 2.922 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1539211683 JYXFYSGVRLBCTF-INIZCTEOSA-N 454.021 2.763 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539218562 AMFSRHPSKNHJFR-SFHVURJKSA-N 481.663 2.750 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1539230825 LGEIABUADTXJNM-XUVXKRRUSA-N 491.683 2.831 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccn(Cc2ccccc2)n1 1539299349 IBGCIYYRDRIQEX-SANMLTNESA-N 458.566 2.686 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCCCC1=O 1539301999 ZMXVWCHPXGBYEK-UHFFFAOYSA-N 471.403 2.912 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1539305361 YKQCARNPLBWQAY-RBBKRZOGSA-N 454.596 2.873 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1539392236 NZHFTEFFRCXYIL-HXUWFJFHSA-N 483.569 2.854 30 10 JFEE C=C(C)Cn1c(SCC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)nnc1-c1ccco1 1539393575 DLOQQDKUDYZFPF-OAHLLOKOSA-N 459.494 2.586 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccsc1 1539416380 NAEKLWXWHFSWOC-SFHVURJKSA-N 461.588 2.782 30 10 JFEE C=C(C)[C@H](CC(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1)OCC 1539544168 MPTMBFYZDIQVAK-QYZOEREBSA-N 451.564 2.789 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1539556899 JSMNBAPMQBHRLW-CJFMBICVSA-N 470.618 2.841 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1539579400 LBVLKMCUACRWOA-DLBZAZTESA-N 472.428 2.600 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1539620687 MSYVLFLFQJLYAE-AEFFLSMTSA-N 481.416 2.924 30 10 JFEE C=C(Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C(=O)NC)c1ccccc1 1539764815 CVELOYCEIRAPGZ-SFHVURJKSA-N 481.626 2.770 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1540064117 KJBXUQSNNYWALH-ROUUACIJSA-N 475.663 2.748 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1540142017 GVJPLSDMWZUEEF-UYAOXDASSA-N 457.648 2.509 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540855867 CDMXLBGCRKOCCJ-UHFFFAOYSA-N 486.349 2.853 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 1540871723 RUNRJTFKDQXREG-KURKYZTESA-N 462.595 2.514 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 1540877437 VCJFREZYACECEI-UHFFFAOYSA-N 489.580 2.986 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1540895994 CYORQHLRSBWWTP-INIZCTEOSA-N 480.660 2.640 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540899612 VDZBKVZUCKWPDB-JOCHJYFZSA-N 481.018 2.974 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1540899987 HSHPCFBAULEBBR-HXUWFJFHSA-N 490.626 2.959 30 10 JFEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540912809 CYLWSXWQYZLSAF-GCJKJVERSA-N 469.659 2.557 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)C)c1 1542256289 FWDUNACMOIBIGV-IBGZPJMESA-N 454.575 2.790 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1545733675 GEVJMXRUGJAVPU-OAQYLSRUSA-N 488.683 2.939 30 10 JFEE C=CCN1CC[C@@H](N(C)CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)C1=O 1559792787 TYARIFUQROUOMH-JOCHJYFZSA-N 450.539 2.995 30 10 JFEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1587798313 GNPADZLNPAVZSY-UHFFFAOYSA-N 454.962 2.543 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588064874 QMIQLNMWOAUTFR-HXUWFJFHSA-N 470.620 2.945 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCC(C)CC2)nc1 1588078233 CRUFLQYZXMTXNW-UHFFFAOYSA-N 468.565 2.678 30 10 JFEE C#CCSCCn1c(N2CCC(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589125587 LRYSMTOPNSGKIB-VWLOTQADSA-N 489.686 2.914 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589543675 AKBYAGGLXCFWEO-QYWGDWMGSA-N 466.554 2.752 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1589625395 DEJHJBQUIACJFZ-XDOYNYLZSA-N 450.499 2.603 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1593717080 BKFZRCXJKFMJAT-QHCPKHFHSA-N 457.531 2.586 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1594811958 ASUYHVRWVKECGR-DFBJGRDBSA-N 488.633 2.702 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CN(C)C1=O 1595133589 INONIQAQHMJSEH-DEOSSOPVSA-N 451.550 2.950 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1595496574 AIPXHJAPKIDAGA-GOSISDBHSA-N 486.527 2.899 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OCC)c2)C1 1595664676 ILOLNIVPNYKONW-IBGZPJMESA-N 455.559 2.751 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 1595701159 WXCOSFGBEJHLTR-NZQKXSOJSA-N 454.619 2.761 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN1C1CCCCC1 1611696021 AQJBKGSCSILLIU-NOXFTYBFSA-N 477.679 2.815 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)O 1612882561 ACJRNOYTDLIMNT-HNNXBMFYSA-N 484.511 2.694 30 10 JFEE CCC(O)(CC)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1613671285 BNLJLYIKOWYNMI-SFHVURJKSA-N 478.576 2.936 30 10 JFEE CCOc1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1OC(F)F 1616431903 DGUZUXJOJWCIFT-HNNXBMFYSA-N 457.441 2.512 30 10 JFEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 1617980675 MZTVEXZTHJKUFI-QUCCMNQESA-N 451.589 2.520 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)c1 1619147529 AGRQXOOEMAEIGT-QVKFZJNVSA-N 488.342 2.946 30 10 JFEE C=CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1630227376 IHHIKBXCKSQSPF-CABCVRRESA-N 457.390 2.945 30 10 JFEE C=CCC[C@@H](NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12)C(=O)OCC 1655359045 RRPXZFDDAHDZIG-LLVKDONJSA-N 450.742 2.926 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)c(Cl)c1 1660931447 CLXIINAGVLYVGO-INIZCTEOSA-N 454.733 2.836 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccc(F)c2)nc1 1689825660 ALWXVVFBJCDMPT-JKSUJKDBSA-N 472.546 2.721 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCOc1ncccc1F 1689826205 JWWIONPLNXVSHE-HNNXBMFYSA-N 456.909 2.933 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C(C)C)c1 1689870503 QIJOOLLVHOENMG-UHFFFAOYSA-N 479.972 2.822 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2oncc2C1 1689892280 BTCBEJXWPCGJKZ-SFHVURJKSA-N 456.547 2.941 30 10 JFEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1689933563 RCMPBLDKBCJUQX-UHFFFAOYSA-N 461.614 2.963 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689938444 LNVLGTPNLNQGRI-UHFFFAOYSA-N 473.581 2.708 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccc2c(c1)CCO2 1689966207 MYTNISUIXYTWLJ-HXUWFJFHSA-N 467.570 2.834 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689982917 XEFIHRYMVBAHEQ-KBPBESRZSA-N 487.445 2.678 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1690132389 PHBITXNZTCUNIG-FQEVSTJZSA-N 492.649 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC=CO2)CC1 1690139477 OPQQILCTWMUHLX-FQEVSTJZSA-N 465.554 2.621 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1690313081 KXFSUKAAEPMTQU-VXKWHMMOSA-N 474.627 2.611 30 10 JFEE C=C(Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 1690324472 RDRFSNNZMQZLBS-TZIWHRDSSA-N 496.612 2.967 30 10 JFEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1690444621 JZUAEUVLEFEQLD-FPOVZHCZSA-N 469.615 2.557 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1690681053 DSWBOKVMHLTMMN-UHFFFAOYSA-N 489.580 2.843 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690715447 LPECERDDWRXKEN-IXFSTUDKSA-N 494.589 2.542 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCCC1(F)F 1692533603 AKRILQLWFQIQAV-IRXDYDNUSA-N 487.559 2.619 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)F)C1 1692850765 AOBUQBUQWMNZJF-JOCHJYFZSA-N 454.485 2.642 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1696688984 BFQHHZOYHPWBOP-HXUWFJFHSA-N 456.616 2.563 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(=O)(=O)c2ccc(C)s2)cc1 1697361162 FRVXFBUSKLPYBD-NRFANRHFSA-N 490.586 2.744 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(=O)N2CCOCC2)C1 1698483521 DSNLFXPZZXCNKW-HXUWFJFHSA-N 495.328 2.538 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)C(=O)NCC2 1705479260 GVYWWXHTKDGQGP-ZDUSSCGKSA-N 453.344 2.828 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCN2CCOC[C@H]2C)c1 1705507561 GSBILTHFAIGFKK-HXUWFJFHSA-N 464.614 2.788 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C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)N1CCCC1 1690019237 DRGHRKDPJFGIAG-LEWJYISDSA-N 470.618 2.534 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNC(=O)OC(C)(C)C 1690103916 JEOSVNQQUVVZJP-FQEVSTJZSA-N 471.558 2.791 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1690129113 QDYMROPNXNWMKZ-NRFANRHFSA-N 471.609 2.596 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1690133511 KCNGSFIJINLSBZ-UHFFFAOYSA-N 496.656 2.510 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1690137322 UXUORQVYEMYTPS-IBGZPJMESA-N 460.623 2.917 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690159534 DIASBZQRZJGJOV-UZLBHIALSA-N 460.625 2.719 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1690178923 IEWLADSZEHAEON-UHFFFAOYSA-N 460.607 2.983 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccc(F)cc2)CC1 1690411251 IROMYEZPSFCZQP-HXUWFJFHSA-N 461.607 2.854 30 10 JFEE C=CCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OCC)CCOC1 1690496498 SKTZYKDBSSQHNR-XMMPIXPASA-N 455.559 2.564 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690631296 ZYZIGYXFLDPSRP-CQSZACIVSA-N 477.382 2.822 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690639429 NJUGKHNRHHSNSC-MRXNPFEDSA-N 475.619 2.775 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncccc2F)CC1 1690661630 BHUKEHQWTNTYIV-UHFFFAOYSA-N 455.925 2.761 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCCN(CC)C(=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1690681081 FOUDUOFTUMSTHS-AREMUKBSSA-N 483.613 2.990 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1690995114 DEBWNQXAHXTWNT-AWEZNQCLSA-N 461.364 2.586 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)Oc1cccc(F)c1 1696328882 GLYOTXBZKZRNAV-KRWDZBQOSA-N 482.564 2.661 30 10 JFEE COCCN(C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1698028155 DDHPMXSRLMEPIU-UHFFFAOYSA-N 463.586 2.619 30 10 JFEE 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30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCN(C)c1ccccc1 1705705418 HOPVOXMCIWQGTA-GBXCKJPGSA-N 452.603 2.954 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1705717435 KHJCQDAEFNNKJF-CQSZACIVSA-N 458.510 2.634 30 10 JFEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccccc1 1705741461 QBPXWCWHVOXSKH-UNMCSNQZSA-N 489.642 2.720 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705794105 WBYKUMMPJRSLHH-FQEVSTJZSA-N 458.632 2.871 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1705805368 FQUOAKMQCBSLML-QZTJIDSGSA-N 462.595 2.610 30 10 JFEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705827104 UKQMDIPQNOHSTC-SQJMNOBHSA-N 496.656 2.925 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1705885834 TXXPKZKYSZFIIC-UHFFFAOYSA-N 451.918 2.727 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705898242 GGQMJKQVVMXTHE-UHFFFAOYSA-N 481.626 2.597 30 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C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722481738 AGULTFCUYRKCOY-UHFFFAOYSA-N 478.395 2.901 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722494158 NEBVPXFBFUESSU-KTXJPYHWSA-N 461.607 2.562 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1722500184 BNFVXOINLMEFIG-ZJSXRUAMSA-N 464.570 2.769 30 10 JFEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722524984 CJPFLXVQPDUZNP-UHFFFAOYSA-N 452.603 2.794 30 10 JFEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722591899 SGMQJSKIBWKZEU-KURKYZTESA-N 479.647 2.884 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1722657891 ADSIFHQTBVXCNP-RTWAWAEBSA-N 491.658 2.865 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722706038 LSQYFRAPRGXMDU-UHFFFAOYSA-N 498.584 2.712 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1722738100 BCVFNZUJVBAEAM-NHCUHLMSSA-N 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C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C1 1359312541 WPTDVOWQLLBVFN-MRXNPFEDSA-N 461.950 2.671 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)cc2)C1 1359321515 HJZXGKURTUNEOD-TZIWHRDSSA-N 460.600 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359331878 JWBAAXDFHQFRKN-KRWDZBQOSA-N 464.661 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359332156 QKSBZXUAJSBJNQ-UHFFFAOYSA-N 464.661 2.624 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CS(C)(=O)=O)CC1 1359468126 FTMLBUBZVJRYCF-AWEZNQCLSA-N 453.515 2.967 30 10 JFEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1359715531 DBXBNBOLJAZSLQ-UHFFFAOYSA-N 469.609 2.974 30 10 JFEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)c(=O)n1C 1361271987 HRCUMTOAXKGFOH-UHFFFAOYSA-N 473.581 2.567 30 10 JFEE C=CCn1c(SCC(=O)NC[C@@H]2CCCCS2(=O)=O)nnc1-c1ccc(Cl)cc1 1435661158 IKNWWTRLHCOSAA-INIZCTEOSA-N 455.005 2.960 30 10 JFEE C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1446244153 FQQVQKYKUFQXJK-AXHZCLLHSA-N 451.608 2.970 30 10 JFEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 1464945169 MZPKGFCJWCFIDK-GOSISDBHSA-N 450.605 2.910 30 10 JFEE Cc1ccc(SCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)N(C)C)cc1 1492465566 DKCFSAWEJFSBQV-UHFFFAOYSA-N 476.610 2.560 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccccc2CN2CCOCC2)CCOC1 1502618251 HWXBFZQYHFEVGT-NBGIEHNGSA-N 468.602 2.549 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)c(O)c1 1507516428 CBCPPRXRUXTRDS-HNNXBMFYSA-N 468.583 2.767 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2CCN(CCC)CC2)c1 1507552159 LXILDRQRVLSWEW-UHFFFAOYSA-N 491.640 2.579 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507576247 KPGPODFRWWJCAC-UHFFFAOYSA-N 481.532 2.640 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccccc1Cl 1507608100 JCTWRLYNFMVJGI-QFIPXVFZSA-N 473.002 2.869 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1507625894 LNWQEIARSVUZTK-FGZHOGPDSA-N 469.655 2.931 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1507632622 OKTNVTXIZANIAV-VQTJNVASSA-N 487.626 2.767 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cc(F)ccc1N1CCOCC1 1507670325 HTOMHIDTJAHBOG-UHFFFAOYSA-N 458.541 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(CN(C)CC)c2)CC1 1507740031 WUHBODXIRCHPFC-XMMPIXPASA-N 478.641 2.986 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507747409 JNVYAFPPUFZCLJ-NRFANRHFSA-N 463.611 2.765 30 10 JFEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507830926 OSOOSQSZCGONOD-UHFFFAOYSA-N 494.593 2.999 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507848307 PCZRNEVEVJLVPJ-NRFANRHFSA-N 489.642 2.763 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC2(CCC2)C1 1508090015 LJUOSGCKENQZLU-LJQANCHMSA-N 488.633 2.702 30 10 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2.506 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1589504886 JXJPUGJAYNAGLD-PMVMPFDFSA-N 498.653 2.906 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1589567191 BIXFEPZWXUZSGA-NNMXDRDESA-N 488.633 2.827 30 10 JFEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594760707 NMKWVGSXLQIDLD-OAQYLSRUSA-N 452.559 2.898 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1595335564 VQSKIYCXRYWSHR-XJKSGUPXSA-N 459.494 2.537 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1595522693 IPMUNULRZMCANH-UHFFFAOYSA-N 477.544 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1595823722 RZFXZDMFRVBNQZ-BGYRXZFFSA-N 493.674 2.915 30 10 JFEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1595896026 SZLDWWQNRZNUDG-UHFFFAOYSA-N 484.626 2.512 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1)C(=O)OCC 1596777658 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472.246 2.954 30 10 JFEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870386258 HVTKCZAGTKKVHY-UHFFFAOYSA-N 473.017 2.721 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCCOC(C)C 1870535879 OZGXPPRWFXMKET-UHFFFAOYSA-N 476.662 2.674 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1Cc1ccc(O)cc1 1870672923 MCCLUHIDJINTJW-UHFFFAOYSA-N 456.539 2.735 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870710882 HACITSFTICDOGX-UHFFFAOYSA-N 453.539 2.699 30 10 JFEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873561486 MVOJHNZHQSUZIM-RTBURBONSA-N 461.570 2.588 30 10 JFEE C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1874667874 RINGAJMBKMLGLD-SFHVURJKSA-N 451.439 2.936 30 10 JFEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 1891613064 LPLYZZWMZZYLDJ-MAUKXSAKSA-N 458.411 2.703 30 10 JFEE CN(C(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180959577 FUJZBLIVEZSVTD-OALUTQOASA-N 460.380 2.709 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)C1 2247565666 WDZRTBKHUSHMRA-BXFSZVDSSA-N 453.605 2.762 30 10 JFEE C[C@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247963034 STSPGKBXUYBCDS-CYBMUJFWSA-N 460.427 2.629 30 10 JFEE CCN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255843977 OOKILXNWMMRBNC-CQSZACIVSA-N 451.398 2.914 30 10 JFEE CC[C@H](CCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2256670037 YNXKDGFRKQHRKU-CYBMUJFWSA-N 454.402 2.671 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2267135869 BQJZWCGDAIKXNA-UONOGXRCSA-N 486.827 2.801 30 10 JFEE Cc1nc(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267161463 BIXMRYJGBJTLMO-FPTDNZKUSA-N 463.409 2.880 30 10 JFEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2267281205 STZGKRNBYPKCAV-UHFFFAOYSA-N 466.409 2.539 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267355907 WQCVWDVQRXTETL-VBQJREDUSA-N 484.449 2.642 30 10 JFEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267536309 BJXADSFHHWIEQC-OAHLLOKOSA-N 463.771 2.940 30 10 JFEE CN(C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCO1)C(=O)OC(C)(C)C 2267590218 MAVVJOIQFKKZKS-OAHLLOKOSA-N 466.409 2.755 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC(C)(C)CNC(=O)OC(C)(C)C 2267707610 UKZPOCPHOUIEMV-UHFFFAOYSA-N 468.425 2.876 30 10 JFEE CCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268635633 UGKUZVMBPCZHKD-HNNXBMFYSA-N 468.425 2.983 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268641353 AQQWLLXMHNWYHI-UONOGXRCSA-N 466.413 2.671 30 10 JFEE C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cscc1B1OC(C)(C)C(C)(C)O1 2268651169 VAAPQFNYICUVDD-RHSMWYFYSA-N 466.409 2.860 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 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CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)OC1(C)C 2282585469 MBKBJFOWFIRGBN-SJORKVTESA-N 464.297 2.502 30 10 JFEE CO[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282603431 GJAMRJJBIUAYKC-CABCVRRESA-N 481.424 2.587 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)s1 2282637551 AHZWHWGBMUXQAT-NPMXOYFQSA-N 478.420 2.864 30 10 JFEE Cc1cnc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2282653821 GTVSVVNFGWPTPY-IRXDYDNUSA-N 457.380 2.913 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C 2282668142 DIZDUDSYXOALHI-GOEBONIOSA-N 454.298 2.966 30 10 JFEE Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282696911 JWLCZUJQOXWTER-CABCVRRESA-N 454.298 2.823 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2282828089 IKPOBJMZSHEVQT-QMHKHESXSA-N 478.420 2.582 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282838500 PKUXJRSRJDRZPT-RHSMWYFYSA-N 484.399 2.659 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@@H](O)C1 2282877223 OKKJDEMCWHPYJK-MRXNPFEDSA-N 480.798 2.693 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282970063 KDQLHVRGVZJCAO-SJORKVTESA-N 458.364 2.915 30 10 JFEE CN(C)C[C@]1(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2282995202 POUCCWBJAWJANI-XMMPIXPASA-N 461.412 2.888 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283951881 ZMPSQIMUIJFFOX-INIZCTEOSA-N 460.380 2.541 30 10 JFEE COC(=O)[C@@H](CC(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2283998043 QCKXPXDSOMXMNF-MRXNPFEDSA-N 466.315 2.520 30 10 JFEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283998560 ZJWRWMXNQXDXDM-IBGZPJMESA-N 460.380 2.758 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O 2284056559 KXKONEIAIHXNOX-KRWDZBQOSA-N 482.452 2.978 30 10 JFEE CN(CC1(O)CCN(Cc2ccccc2)CC1)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2286395644 DVFJAAKOAAPZCA-UHFFFAOYSA-N 454.376 2.678 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288262060 XPKQEFRRLLPWKS-VOIUYBSRSA-N 457.380 2.676 30 10 JFEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cc(C)ccc2O)cc1OC 2325888231 QXUBTLBGFMHCMT-UHFFFAOYSA-N 469.567 2.944 30 10 JFEE COc1ccc(OCCCc2nnc(SCCO)n2N=Cc2ccc(C(=O)O)cc2)cc1 2326287096 YOIHTTFIERFLMN-UHFFFAOYSA-N 456.524 2.963 30 10 JFEE CCOc1cc(C=Nn2c(SCC(N)=O)nnc2C(C)(C)C)cc(Br)c1O 2331389108 SFRXDPMZWMSDNQ-UHFFFAOYSA-N 456.366 2.902 30 10 JFEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2334263465 LBBIRDIOTAHISR-LZWOXQAQSA-N 463.409 2.960 30 10 JFEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2342699493 XJTJRMTVNCXOEL-UHFFFAOYSA-N 452.332 2.683 30 10 JFEE 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30 10 JFEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1 59887610 CFHRTVMXSYEWHM-AWQFTUOYSA-N 478.376 2.794 30 10 JFEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c1C 102488769 ZAOULCNWPJILSJ-HUZQBFDWSA-N 454.527 2.577 30 10 JFEE COc1cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1 169897809 YUBYPUQXKRMAAW-FMCGGJTJSA-N 453.455 2.555 30 10 JFEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccnc2)ccc1F 170356537 DIHVXZOKQRLFJH-HXUWFJFHSA-N 467.478 2.959 30 10 JFEE CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2)c(=O)n1Cc1cc(C(C)=O)ccc1OCC 254295152 ZGYKNYGKDOXUNG-UHFFFAOYSA-N 476.554 2.603 30 10 JFEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@@H]3c2cccc(OCC)c2)C1 256034256 YYBVWADOZLNGLF-NXHRZFHOSA-N 465.510 2.584 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOc2ccc3ccccc3c2)CC1 504655162 PEKBJGLRYKDMIK-UHFFFAOYSA-N 464.547 2.806 30 10 JFEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](O)(C(=O)O)C1 757302279 VVYSYIXFGVDVFN-NVQXNPDNSA-N 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C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(CCO)Cc1ccc(Br)s1 1760523315 TTYQYHCTOWEKJX-UHFFFAOYSA-N 491.415 2.774 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1760523630 DGHIOSDUDCJGMM-MSOLQXFVSA-N 462.595 2.563 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760526761 GRVYNKMTMHIXBN-UHFFFAOYSA-N 453.547 2.548 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)c(O)c2)C1 1760549903 ONSURBGHZGKFBV-KRWDZBQOSA-N 469.567 2.813 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760553408 UAPVALWLJJUSNH-LJQANCHMSA-N 459.616 2.547 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1760554285 XZQGQKULVDMPHR-OAQYLSRUSA-N 467.595 2.697 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(Cl)cn3)CC2)nnc1C(C)(C)C 1760558659 WSJOLUUCJLSTBW-UHFFFAOYSA-N 453.012 2.551 30 10 JFEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1765453636 AJDKEYUOHTTYCQ-DBXWQHBBSA-N 458.632 2.949 30 10 JFEE 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30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705738966 QEIPZPRUBBMBNW-UHFFFAOYSA-N 467.662 2.851 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705825177 LNEUTRBWJDBNGV-ZWKOTPCHSA-N 485.589 2.868 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705881830 BVKWVNRELZCRBE-UHFFFAOYSA-N 478.981 2.926 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cccn(CC)c1=O 1705884944 BQGJKGACBZZFRJ-NRFANRHFSA-N 451.527 2.659 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nccc(C(F)F)n2)C1 1705917596 WHVPAIZZNWACCW-KSFYIVLOSA-N 464.517 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705932099 LFJCOAYJXDJUDX-UHFFFAOYSA-N 490.630 2.825 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705945800 SCMGZCBSKFOPTE-HXUWFJFHSA-N 484.674 2.866 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)C1 1706516879 BOLJQWNASSHSDN-XMMPIXPASA-N 481.645 2.616 30 10 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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)[C@H](O)C[C@@]21C 135820050 FBMHNHAHWIHHDH-UDZABEMNSA-N 483.399 2.870 30 10 JFEE Cc1ccc(Cn2c(=O)c3c(nc(N/N=C/c4ccc(Br)cc4)n3C)n(C)c2=O)cc1 606629759 GTABLMRWYCUXMZ-WYMPLXKRSA-N 481.354 2.999 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(Cn4nc5ccccn5c4=O)c3)cc2C1=O 642516947 FHDRBWQTZRKHSO-UHFFFAOYSA-N 453.458 2.579 30 10 JFEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCCC(=O)Nc2ccc3c(c2)OCCO3)n1N 1084379300 TWZOGEOERBDQEC-UHFFFAOYSA-N 499.601 2.724 30 10 JFEE NC(=S)N1N=C(c2ccccc2)C(=NNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1=O 1084508803 LBRVIMHWFFOSDN-UHFFFAOYSA-N 451.493 2.976 30 10 JFEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccc(Br)cc3)n[nH]2)cn1 1084644435 HRLKAHWRDMYFCF-UHFFFAOYSA-N 493.391 2.977 30 10 JFEE CC(=O)N(C)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1 1214798167 XWUPWYGTCZRTEG-DAFNUICNSA-N 457.556 2.804 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(c3nc4ccccc4s3)CC2)n1 1230164653 HOTHVVZSDXPQDW-UHFFFAOYSA-N 452.584 2.953 30 10 JFEE 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CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1496840001 GXLVBZZJPFNOON-DEOSSOPVSA-N 468.581 2.990 30 10 JFEE CCn1cccc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1502232707 DGZHUBAICIGKNM-QHCPKHFHSA-N 452.490 2.634 30 10 JFEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 1503920176 CWFAOQDKZCWPCW-HSZRJFAPSA-N 473.599 2.557 30 10 JFEE COCC1(CCn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1504621168 DZSAYSAGSMZFDZ-GOSISDBHSA-N 471.558 2.906 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1507517384 PTNUGJYZYWKEDV-GSHUGGBRSA-N 481.018 2.696 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507565923 AUIZDHQTOWZTAT-ZCNNSNEGSA-N 486.617 2.637 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507591919 UNOPTUQQEICZMY-DVECYGJZSA-N 484.595 2.939 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1507631157 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C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1508061755 VWIFGSOKOHSQLW-AQNXPRMDSA-N 490.649 2.946 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1508061759 VWIFGSOKOHSQLW-XUVXKRRUSA-N 490.649 2.946 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2Cl)CC1 1508083726 BBWUOKSNBDVWOC-UHFFFAOYSA-N 451.962 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1508133427 JAHVYDPTVRSUDO-OPAMFIHVSA-N 497.017 2.592 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1508142744 BEFVXDZFMHHHIK-LJQANCHMSA-N 484.601 2.719 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCN(C2CCC2)C1 1512404044 AURIVEPULXAHIT-INIZCTEOSA-N 457.529 2.509 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1513971181 HTHWBFDBGHKDLX-VQTJNVASSA-N 479.585 2.931 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H](C)C#N)CC1 1515936086 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HHNPCTBZPZHNME-QFIPXVFZSA-N 495.672 2.968 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1539084762 CBUSXWBDWGOSHZ-OTWHNJEPSA-N 458.563 2.890 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1539202052 FKYYFKBQVRYNAL-WIYYLYMNSA-N 471.627 2.606 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1cccc(CS(C)(=O)=O)c1 1539332278 KQBNHUKZHQIKLE-UHFFFAOYSA-N 452.605 2.986 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@@H](C)C1 1539389946 GPZRCLAJBDGDMH-FQEVSTJZSA-N 465.577 2.958 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCc1cnn(C)c1 1539417171 YFJFUDBENIOCNR-UHFFFAOYSA-N 485.633 2.845 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)n1 1539424930 YOYFEPXDKWVSPE-OFVILXPXSA-N 470.618 2.787 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2OCC[C@H]2C)CC1 1539447351 QSAXXAWBWPGWAV-NJDAHSKKSA-N 472.634 2.573 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2sccc2C)CC1 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1540865884 VKROVCYTZOLGAB-OAQYLSRUSA-N 491.621 2.690 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1540901071 RPIBRCNYUVXTEJ-UHFFFAOYSA-N 470.599 2.599 30 10 JFEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c1 1542830276 COYSKUWSHUACCK-GOSISDBHSA-N 461.448 2.701 30 10 JFEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1542848584 AWIYRGWTKKVQNJ-UHFFFAOYSA-N 459.449 2.963 30 10 JFEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(OC(C)(C)C)nc2)CCOC1 1547891068 AHRXNCJVBWDQII-GOTSBHOMSA-N 458.538 2.993 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cc(C)n(C)n1)CC2 1548378129 VTKUAUVKARUMOY-IBGZPJMESA-N 488.514 2.724 30 10 JFEE COc1cc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1OCCO 1554760602 FVHSGJADILNPEG-VWLOTQADSA-N 462.554 2.822 30 10 JFEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 1560004436 GVAPEDXWTCOFEM-YLJYHZDGSA-N 458.559 2.847 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 1565808789 TYTSGABCSQVGCM-FQEVSTJZSA-N 458.603 2.582 30 10 JFEE C#CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)C1 1587043297 HDUMJTDKLMCNCJ-OAQYLSRUSA-N 451.592 2.679 30 10 JFEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1587842909 WZVALJAFBMRUES-HXUWFJFHSA-N 498.653 2.727 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CCS(=O)(=O)C1 1588029822 MJPAHWVPYYXJSC-VNTMZGSJSA-N 491.658 2.531 30 10 JFEE C#CCN(c1nnc(CC)n1CCc1cc(Br)ccc1F)[C@H]1CCS(=O)(=O)C1 1588058694 ALVNPYNLBKRIOY-INIZCTEOSA-N 469.380 2.612 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588064693 NDMWDKBGSPQUAR-VXKWHMMOSA-N 486.638 2.854 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)c1 1588134477 YNEHUVSVBGOZET-NRFANRHFSA-N 465.602 2.832 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)[C@H](C)CC 1588233161 BVKRJEJIBYRWFT-RTWAWAEBSA-N 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30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CCSCC1 1595101176 ZGRWHKBKVDJHFN-UHFFFAOYSA-N 465.627 2.514 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1595335571 VTQTXHRMNCTRRN-UHFFFAOYSA-N 469.567 2.707 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1595594806 PUGURBYCEJQYFK-SFHVURJKSA-N 456.616 2.676 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC(C)(C)C2)cc1 1595613428 CTXWKJQXIHZYJH-NRFANRHFSA-N 489.642 2.851 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(=O)NC)CC2)cc1 1595639966 PMDMVFBGYJMTLU-UHFFFAOYSA-N 463.586 2.715 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCCC(N)=O)ccc1Cl 1618101441 WGQMXTUJQJSCNV-UHFFFAOYSA-N 456.351 2.980 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 1618705797 KXECUVAYRCOUJZ-NRFANRHFSA-N 458.971 2.827 30 10 JFEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1618778380 AMEQGTQGWCLOTA-UHFFFAOYSA-N 473.459 2.763 30 10 JFEE 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C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1286647004 YJXGNTFLDXQYQA-PZJWPPBQSA-N 459.616 2.648 30 10 JFEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286703756 RMORERGRJYTQNI-JOCHJYFZSA-N 473.643 2.660 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286791016 RQKTWFLMOULIBB-FQEVSTJZSA-N 482.610 2.717 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2c(F)cccc2Cl)nnc1[C@]1(OCC)CCOC1 1286793184 VAVXZHJPBYEVAV-NRFANRHFSA-N 451.930 2.661 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCC(F)(F)F)C1 1286805021 OJAUOQJPSMNOOK-MRXNPFEDSA-N 460.460 2.953 30 10 JFEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1 1286977210 HDAPUAJGCURNDZ-ROUUACIJSA-N 458.632 2.949 30 10 JFEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1298439326 FPXASZLEELEWFV-UHFFFAOYSA-N 472.596 2.646 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCS(C)(=O)=O 1300322486 UHUUTRCHJZZHQD-CQSZACIVSA-N 455.378 2.512 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1300484935 SJVWBAVRGKXNAE-SJLPKXTDSA-N 499.559 2.997 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1300487406 JAQQGVLYGLNAPN-HSZRJFAPSA-N 478.622 2.861 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300502059 QCUXIMXHHOEQCG-OAQYLSRUSA-N 486.638 2.515 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300504300 LLDVCVGRLQGNEL-LJQANCHMSA-N 485.635 2.859 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1conc1COC 1300521435 XBSRUZHVMNDHMQ-UHFFFAOYSA-N 470.327 2.972 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCOC2CCCCC2)CC1 1300725929 GRFPGQLWCYQEBZ-UHFFFAOYSA-N 464.614 2.969 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1300914083 BGTQRJMYRWMRBM-UHFFFAOYSA-N 481.693 2.881 30 10 JFEE C=C(C)Cn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300965010 BGCCOCCZLSDODN-HXUWFJFHSA-N 459.513 2.790 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1301040182 DEMNNMYOJUPIQN-UZLBHIALSA-N 471.410 2.770 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1301481773 PJYGWCWZUBFVEF-LJQANCHMSA-N 494.575 2.593 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1301492394 IHIFUSQNRYQKJZ-AWEZNQCLSA-N 458.872 2.843 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCOCC2)C1 1301534678 DGULCHXXDMVXMF-AUSIDOKSSA-N 482.629 2.897 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](c3ccccc3Cl)N(C)C)CC2)c1C#N 1304730340 CYMKDQPSNHSCDN-NRFANRHFSA-N 468.009 2.783 30 10 JFEE C[C@@H]1CCCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1305027849 AURCZLLUIVCQTF-RTBURBONSA-N 465.602 2.551 30 10 JFEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1305205253 GVZXWZZMUABLJE-NLFFAJNJSA-N 468.602 2.843 30 10 JFEE C[C@@H]1CN(c2ccccc2F)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1307734736 ARZVKVXJJZWYKP-NTKDMRAZSA-N 453.537 2.884 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 1309230958 YXOMNKFNJVZSKX-CQSZACIVSA-N 459.351 2.627 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2cc(Br)cs2)cc1 1316529789 DHYFEHKHCFUJMM-UHFFFAOYSA-N 478.397 2.924 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c(C(=O)OCC)c1C 1322436714 DDCQLGDUQDQVEW-FKIZINRSSA-N 452.554 2.969 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1coc(-c2ccc(C)cc2)n1 1358872800 YZAXULYXYPMWBQ-IRXDYDNUSA-N 456.572 2.552 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358955540 NYUKNVDASDWFCR-ICSRJNTNSA-N 469.611 2.820 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCN(C(C)C)CC1 1358984394 SSFSPFHXIMLLPW-UHFFFAOYSA-N 497.043 2.560 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1358993473 NXGFQYPARIQPTD-WOJBJXKFSA-N 482.629 2.770 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCN2CCC[C@H]2C)CC1 1359031399 AHLCVIDLXOEOQZ-GOSISDBHSA-N 487.446 2.956 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)C(F)(F)F)CC1 1359031721 NKRYPVLBZLEAOD-UHFFFAOYSA-N 469.533 2.692 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1359038394 VAYAFUHPRPGLPW-VWLOTQADSA-N 480.657 2.586 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(C)(F)F)CC1 1359046149 GSPCRSVNMAWAAD-UHFFFAOYSA-N 455.513 2.528 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359058561 IBIKTHNGQZPLGU-UHFFFAOYSA-N 453.641 2.717 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1359070282 JOUCROASSNHKPM-KHCICDEESA-N 491.658 2.819 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359081599 HRCCAZJNUKQNHF-MRXNPFEDSA-N 483.436 2.665 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359150732 FLCCAONDGDGWCV-ZWKOTPCHSA-N 483.013 2.644 30 10 JFEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359220442 ZDGFIIYELPBHRW-LJQANCHMSA-N 464.574 2.972 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC(C)C 1359260167 VFNPSYKOZXRSCY-UHFFFAOYSA-N 451.506 2.782 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1359265828 MQJSZOXWFBAASC-WOJBJXKFSA-N 458.607 2.907 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1359277195 FEZFPCQTPLWAKT-QUCCMNQESA-N 463.604 2.772 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cc(C)ccc1F 1359297874 FSERIBZFHLQYOO-UHFFFAOYSA-N 485.589 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 1359336172 HJAPWDRZKWVLIE-RCCFBDPRSA-N 454.637 2.801 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359339970 XARFQBHPTYUOSM-SFHVURJKSA-N 465.627 2.525 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 1469727730 BHORCLKGPVGDFC-BPUTZDHNSA-N 453.337 2.541 30 10 JFEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1470786998 NSLILKFBWBEBPO-HKUYNNGSSA-N 451.589 2.855 30 10 JFEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)c1ccc(Cl)cc1 1476388646 LXDHFTAAOQWQGO-GOSISDBHSA-N 453.886 2.716 30 10 JFEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](COC(C)C)C2)s1 1498554311 DONRYMJEFOATLN-SFHVURJKSA-N 453.572 2.909 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC2CC2)cc1Br 1504184421 HGZRLSONIMFEQP-FQEVSTJZSA-N 477.338 2.684 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CCCCC1 1507616705 MOJNCVOYKRWTEM-DVECYGJZSA-N 461.607 2.987 30 10 JFEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1oc2ccccc2c1C)[C@@H]1CCS(=O)(=O)C1 1507626293 NFYSINFRPHZUFC-RTBURBONSA-N 486.594 2.732 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1507628986 ZEBPLWJWCZIQQN-AEFFLSMTSA-N 479.002 2.735 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507633114 BGGINBJBXQNUIZ-GMAHTHKFSA-N 484.670 2.545 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507638093 DJCRGOLDMMIYLB-QGZVFWFLSA-N 492.026 2.950 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(OC)CCC(C)CC1 1507648741 RDDQPCRDHZKLSG-UHFFFAOYSA-N 458.566 2.860 30 10 JFEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507758286 KYNKNHPBUOUXMQ-YBJWPOLQSA-N 491.658 2.799 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1507791252 JSFTYJKMUZYVKD-ROUUACIJSA-N 484.439 2.994 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)COC)CC1 1507793372 DDLLZJGUSKQOLK-CVDCTZTESA-N 453.587 2.966 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1507818602 WUFRFUMTJHROAO-UHFFFAOYSA-N 451.575 2.850 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507916406 QBCNTIHOWWRUGE-JKSUJKDBSA-N 463.570 2.855 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(Br)cc2)nnc1[C@@]1(OCC)CCOC1 1508097879 LVAWYZROHPNANX-OAQYLSRUSA-N 478.391 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508133832 MHLLBFLQMREHJG-XMMPIXPASA-N 471.627 2.702 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CC)C1 1508150940 SIHYDACUMHIMDP-SFHVURJKSA-N 465.645 2.730 30 10 JFEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1509992621 HWAYZSWOONRJQD-HKUYNNGSSA-N 494.662 2.813 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2[C@H](C)c2cc(Cl)ccc2Cl)C1=O 1515717783 UPWDFXQWLCMYBT-LLVKDONJSA-N 450.282 2.715 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)cc1 1527049150 RDDNPENWYSPXEI-HNNXBMFYSA-N 454.545 2.681 30 10 JFEE CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1529635125 BRUJZMRMMYXCFT-GOSISDBHSA-N 451.502 2.969 30 10 JFEE CC(=O)N(CCc1ccccc1)CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1534106362 UQMBCKAUCSTXRT-LVWGJNHUSA-N 456.568 2.529 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1538977038 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LLYPHFKANHYCJW-IAGOWNOFSA-N 478.619 2.867 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1csc(COC)n1 1286727651 WKUCBFFAQSNLRE-MRXNPFEDSA-N 464.592 2.860 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 1286780800 QWKPQRLCSHTTEJ-KRWDZBQOSA-N 467.549 2.977 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC=C(Br)C1 1286782889 CFJJMFULRHOVQC-UHFFFAOYSA-N 462.348 2.753 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C2CCCCC2)C1 1286812895 PONDEEDMODTKEW-LJQANCHMSA-N 486.642 2.842 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1286815120 MACOENPSNXWPNK-DZFGPLHGSA-N 492.667 2.964 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCc2c(ccnc2O)C1 1286817197 QWJDTIDOJYSNRI-UHFFFAOYSA-N 453.568 2.772 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1300338700 FMUAGURSSQIEHJ-GJZGRUSLSA-N 472.036 2.985 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300384405 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ORYLRUIGVXZOGY-QFIPXVFZSA-N 497.713 2.786 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)CC=C)C1 1301547254 XZCSPRLAGSWFOR-LJQANCHMSA-N 453.568 2.875 30 10 JFEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1301610030 RZIBYKHOMHXWPJ-QGZVFWFLSA-N 482.610 2.984 30 10 JFEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301727483 DHJNBQWQLNMLHL-LJQANCHMSA-N 483.617 2.841 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(c2ccccc2)CCOCC1 1303832814 ANSSMEJVHUQDOI-LJQANCHMSA-N 486.642 2.767 30 10 JFEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1313483768 GPNZDUZBVXCRLK-IBGZPJMESA-N 497.600 2.748 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@](C)(CC)C2)CC1 1313924618 HMACAHXHRIEJJO-CJFMBICVSA-N 451.619 2.848 30 10 JFEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCO)CC1 1314627592 AVMCBYOQUOTDLD-XMMPIXPASA-N 493.656 2.748 30 10 JFEE 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2.819 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1358958880 XUFYBHYFFCXKDM-BJLQDIEVSA-N 494.564 2.988 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965305 RWTJMWBFPBHFAT-OAQYLSRUSA-N 474.602 2.984 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1358966491 PYHSRUSQVFWANH-XMMPIXPASA-N 494.665 2.899 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC1(O)CCOCC1 1359017381 CILMIAMTGRNQKZ-UHFFFAOYSA-N 455.559 2.954 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCN1CCC(O)CC1 1359018780 BWDFARWTDPRDSY-UHFFFAOYSA-N 476.419 2.640 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1359044468 HAFCNSDULCQDGV-AZUAARDMSA-N 469.561 2.745 30 10 JFEE C#CCSCCn1c(N2CCC(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1359062087 VSTZQPJHQZGHQW-DEOSSOPVSA-N 475.659 2.526 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCN(C)CC(F)(F)F)CC1 1359162396 PEBLFBYNQQEWRO-UHFFFAOYSA-N 461.496 2.961 30 10 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JFEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1359267765 RCCVQUWCDGPKAL-UHFFFAOYSA-N 464.339 2.884 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H]1CCOC1 1359294687 BHCJHHKCMNODAF-CYBMUJFWSA-N 454.756 2.888 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1359300113 UGYYSQBNZQBJGA-SJORKVTESA-N 458.529 2.532 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359300624 GTQJTJJWOZNZGN-HXUWFJFHSA-N 498.584 2.586 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@]2(CC=CCC2)C1 1359303992 HODFWCRWSYRNOD-HSZRJFAPSA-N 454.600 2.899 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359329117 ZCFAIXFIYBXYCJ-KRWDZBQOSA-N 466.007 2.504 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1360200362 DUDLCHLEGMQGOF-UHFFFAOYSA-N 469.537 2.706 30 10 JFEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)N(C)C(=O)OC(C)(C)C 1360583336 BHXHNKFWFDGSHL-QGZVFWFLSA-N 497.600 2.686 30 10 JFEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1450477208 CAHKYHVMWJMYFQ-UHFFFAOYSA-N 455.492 2.529 30 10 JFEE C#CC[C@@H](NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1)C(=O)OC 1468876127 VVBQISPHWOFGJO-FOIQADDNSA-N 453.333 2.870 30 10 JFEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1OC)c1ccc(Br)cc1 1475334830 XIQSGCWEDHOKIM-INIZCTEOSA-N 451.342 2.812 30 10 JFEE Cc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1492294037 GMRSAJFKUJTSCM-FGSXEWAUSA-N 460.604 2.794 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1502524636 CFUPXPFPTPKIDQ-NRFANRHFSA-N 479.585 2.934 30 10 JFEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)C1 1504860145 HIASNKDCLNYXSR-IBGZPJMESA-N 496.584 2.739 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507519700 UFYGHKZRDOOQED-CLOONOSVSA-N 471.577 2.801 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507541842 ISZKQLKSSHOOPM-FYYLOGMGSA-N 466.630 2.875 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1507728380 SAUROBKMXBTBLP-LJQANCHMSA-N 455.676 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)CCC(C)C)CC1 1507737681 BXQFBBBMUMGNKT-WNCULLNHSA-N 495.624 2.944 30 10 JFEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NCCOC)CC1 1507747611 IUNBORLJUOBFBM-UHFFFAOYSA-N 462.019 2.944 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCN1CCOC[C@@H]1C 1507773178 ZBPSZJGRBYRITJ-NBGIEHNGSA-N 453.587 2.969 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507859719 BUEOMTRPMRLPMN-IBGZPJMESA-N 484.022 2.583 30 10 JFEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN(C)S(=O)(=O)CC)CC1 1507890000 JXKZWTMRPYRSJG-KDURUIRLSA-N 496.678 2.877 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507911927 CKBHQIUILADOCM-QGZVFWFLSA-N 494.687 2.854 30 10 JFEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1507942693 TYOURBPLGGEWSO-UHFFFAOYSA-N 491.434 2.893 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1508033991 RVAHGKFJELZRDZ-NTKDMRAZSA-N 470.595 2.916 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(CO)c1 1508037526 CPYKCUMFPBINRD-NRFANRHFSA-N 487.601 2.766 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nc3ccccc3o2)CC1 1508130954 JNHKDTKSABHBOI-QGZVFWFLSA-N 458.588 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](OCc2ccccc2)C1 1508138038 UZOPGCMAWAVIRA-FQEVSTJZSA-N 455.584 2.680 30 10 JFEE CC(C)(C)Oc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cn1 1508676749 DOFFOXNFOQKQLI-LJQANCHMSA-N 472.615 2.931 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NC(C)C)c1 1510596729 DSMVKYPGUUBFTA-UHFFFAOYSA-N 488.596 2.592 30 10 JFEE COC[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1518710869 FXQHUIMSYNCRBF-YFVAEKQCSA-N 484.649 2.719 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC2(N(C)C)CCOCC2)c1 1539040406 SOMDRXUZJZUIAN-UHFFFAOYSA-N 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C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)nc2)c1 1286311579 NYTSKHKHMQUWQH-UHFFFAOYSA-N 480.576 2.829 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286357677 YYPIZIQJUGTYEQ-JOCHJYFZSA-N 464.614 2.712 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCCCC1=O 1286369442 QDRAMSDNIGBCFP-UHFFFAOYSA-N 461.570 2.537 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1286388458 PLZMHWWIQDVSKC-KRWDZBQOSA-N 462.000 2.924 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286394697 JXTAYJIJXNYDRJ-HXUWFJFHSA-N 498.678 2.904 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NCC=C)CC1 1286472482 UERUGLRNDVMUPS-LJQANCHMSA-N 471.005 2.746 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cccn2)CC1 1286475861 ITUOCJGNUXIYHM-UHFFFAOYSA-N 454.376 2.750 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC=CO2)CC1 1286488119 LHESQFQOMGNGRC-QGZVFWFLSA-N 473.375 2.694 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286545218 VDRJMEVUBLRCJZ-ACJLOTCBSA-N 454.394 2.927 30 10 JFEE C=C(C)COCCn1c(N2CC[C@](O)(c3ccccc3F)C2)nnc1[C@]1(OCC)CCOC1 1286614198 NYGGGUCDQUDEJL-RPWUZVMVSA-N 460.550 2.760 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286628814 KQORLVIGMQCBBN-PKOBYXMFSA-N 451.015 2.842 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1286657378 YLNCICKFONMBEW-RUZDIDTESA-N 471.577 2.831 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1286705895 GLYTYMJTBIDOFR-OAQYLSRUSA-N 455.559 2.693 30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1286738132 QTNYXSLFYATEOO-SFHVURJKSA-N 477.631 2.902 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1286798020 GDIQPAYYGMOJJE-IBGZPJMESA-N 493.543 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286817283 SDWZLZKQHURZJB-UHFFFAOYSA-N 470.477 2.683 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1OCC(F)(F)F 1288772779 GBOPZERBCREOBC-KGLIPLIRSA-N 474.509 2.616 30 10 JFEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C 1295983266 HHYWXTUVAWWTIK-ROUUACIJSA-N 456.616 2.560 30 10 JFEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1296448592 FBJLHQYCJAGYFK-IBGZPJMESA-N 474.631 2.740 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1298326873 CKJFRUIQQKZYKZ-AVRDEDQJSA-N 471.608 2.657 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300311873 WINBDCMNDZUUBJ-KURKYZTESA-N 492.621 2.958 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2Cc2cnn(CCOC)c2)c1 1300334055 HNBRTTLNSYDLIX-UHFFFAOYSA-N 463.586 2.814 30 10 JFEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300372950 XHSVHWGAHLBOBZ-KRWDZBQOSA-N 473.375 2.637 30 10 JFEE C#CCCCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300425626 WDCXDKVFONJYGY-NRFANRHFSA-N 471.524 2.627 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1300478922 GTVUFBOPAWWFMT-FQEVSTJZSA-N 470.643 2.636 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1300487909 NHCQOVTVPFHDPG-FQEVSTJZSA-N 465.579 2.663 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300499566 VCPRTXNQDKCVEF-HSZRJFAPSA-N 463.607 2.914 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(n1)CCCC2 1300537638 HSSMPRZNSKCJJK-QHCPKHFHSA-N 490.608 2.981 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1300603709 XNKWBQDRQUINBQ-ZEQKJWHPSA-N 467.614 2.852 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1300682797 RJGBYIOTEAJCET-OAQYLSRUSA-N 498.075 2.881 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2scnc2C)CC1 1300690999 MARPHOXCXVZEHX-UHFFFAOYSA-N 452.584 2.725 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)(C)OCC)CC1 1300698648 XCCVPDJHVGYJQQ-UHFFFAOYSA-N 477.613 2.635 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(CN(C)C)c2)CC1 1300722007 FTMQAUSOCYYFSR-UHFFFAOYSA-N 471.609 2.724 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OCCN(C)C)cc1 1300819095 LDHJXSHFULRASL-RZPFDVGOSA-N 467.614 2.983 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC(=O)N(CCOC)C1 1300901546 PBEBPQXKAXIORD-INIZCTEOSA-N 479.423 2.943 30 10 JFEE COC[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C#N)c1)OC 1301021189 BKTKWWGIANULHT-QFIPXVFZSA-N 476.585 2.622 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301434381 MYFPVBIUIBRBST-UHFFFAOYSA-N 473.423 2.905 30 10 JFEE CC(=O)N1CCC(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 1301662844 GCCXUXMCKRGBPF-INIZCTEOSA-N 471.993 2.858 30 10 JFEE CC(=O)Nc1ccc(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)[C@H](C)CC#N)cc1 1301784736 BNQJXFDVKRIREM-MRXNPFEDSA-N 480.598 2.983 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN2CCCO)c1 1358901136 ALQCLPMGQKMTQB-JOCHJYFZSA-N 476.581 2.750 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCCCCC2)c1 1358901940 ARRAGHSGQAYFBO-UHFFFAOYSA-N 488.596 2.528 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1358976514 HGZUHDRXEBJNLW-GOSISDBHSA-N 472.549 2.655 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ccccc1C 1358978143 DXPDKSYIYFNAFT-UHFFFAOYSA-N 455.566 2.912 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncc(CC)s2)CC1 1359031994 XASDYFCDDNGTTC-UHFFFAOYSA-N 452.584 2.785 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1359037361 GTKHYUNHGLBYHD-QHCPKHFHSA-N 462.598 2.723 30 10 JFEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1359055087 SIEYAZBZBIIIOZ-KRWDZBQOSA-N 452.584 2.827 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1359064495 UKSZKNXWLFNWFD-FDDCHVKYSA-N 490.699 2.854 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1359074991 ZTPGSUDKPLETSN-YDIMBITNSA-N 460.623 2.619 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1359217097 NSJMRHJNKKOALO-LJQANCHMSA-N 484.605 2.669 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1359302522 KFKBHUGUHLSJFD-FQEVSTJZSA-N 497.397 2.907 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1359304060 JZYGBTRDIMTMCS-UHFFFAOYSA-N 463.586 2.894 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCNC(=O)OC(C)(C)C)C1 1359312386 UJYRHQPSVIRLCM-GOSISDBHSA-N 462.595 2.600 30 10 JFEE CCN(CCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)CCC(F)(F)F 1502195776 BJMVDROBJZGKOV-UHFFFAOYSA-N 479.555 2.670 30 10 JFEE COCC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CCC1 1504621532 HYTFWOLPMSMURH-UHFFFAOYSA-N 486.642 2.884 30 10 JFEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)C[C@@H](C)O1 1505290686 BZYLTPIIMNHQPH-PABCKOPISA-N 482.629 2.825 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1507628526 OWQSAVYOFODASH-MRXNPFEDSA-N 477.015 2.687 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2OCCC2(C)C)n1 1507716096 GWKUKFSJNJHGPB-NRFANRHFSA-N 451.575 2.581 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CC(F)(F)C2)CC1 1507718347 PCSSDJQBTSSLHV-UHFFFAOYSA-N 453.335 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC[C@H](F)C2)CC1 1507741396 ROERYMYTVITIPJ-QUCCMNQESA-N 469.561 2.970 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1507752096 SEPAVQAEQKCXBF-UHFFFAOYSA-N 481.626 2.507 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](COC)C1 1507753032 HWZOYQCNCYKASV-GOSISDBHSA-N 481.416 2.838 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507798977 PXZXZJWTHHUJKB-GMAHTHKFSA-N 458.651 2.907 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1507807739 SJAQEKKRBKODIT-IIZPIQPGSA-N 461.607 2.575 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCCC)CC1 1507829775 FVGHGVYINOLLMH-UHFFFAOYSA-N 463.586 2.901 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508088475 YGLAWZDTZTYTAH-LPHOPBHVSA-N 472.565 2.660 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](N2CCCC2)C1 1508093805 WZQGFMOVXUURSX-NRFANRHFSA-N 452.603 2.841 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508159411 URYMQTDGOSMZGP-KRWDZBQOSA-N 464.613 2.649 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1508160112 SLCCVAMJKJXQRN-SFHVURJKSA-N 493.008 2.903 30 10 JFEE CC(C)(CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508719728 ADDLFSPXQGCIBQ-NRFANRHFSA-N 470.643 2.952 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)[C@@H](C)C1=O 1509420842 FZWRZYCUOHRVDN-IBGZPJMESA-N 498.653 2.867 30 10 JFEE CC(C)N(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C 1509546804 HMQVBCQSQVTOKF-QFIPXVFZSA-N 488.658 2.861 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ccc(F)c(F)c2)CCOC1 1516181177 GCJGUTKDEHLHCV-NHCUHLMSSA-N 451.449 2.729 30 10 JFEE C=CCc1cc(C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc(OC)c1OC 1534224623 CRPLTHHQVCLCQC-SFHVURJKSA-N 450.491 2.570 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H](F)C(=O)OC)ccc1Cl 1537662203 IJWXFPWPBKVTCD-KRWDZBQOSA-N 454.907 2.962 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1539031921 RZPZGVHVUIKHFU-OAHLLOKOSA-N 477.587 2.803 30 10 JFEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539049619 RFCPKCUETKFKKX-QGZVFWFLSA-N 474.407 2.890 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539204666 BCIWIUUZWYTQNP-IEBWSBKVSA-N 493.580 2.515 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1539212318 UVCBENZXDLGBMH-QWUACUGRSA-N 458.584 2.945 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1539220371 RIWWPWJSMZJOIB-WMZHIEFXSA-N 488.610 2.604 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1539266789 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CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1CCCCO1 1545917951 AAULDUFNXKRHEN-OAQYLSRUSA-N 480.617 2.749 30 10 JFEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)Cn1ccnc1)CC2 1548379757 ZKILCWKCQKFCSK-FQEVSTJZSA-N 488.514 2.607 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ccc(OC)cc2C1 1556713710 GGGBZIFKPMCZML-IBGZPJMESA-N 457.552 2.714 30 10 JFEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1567384117 HAWYUIATQSUKKD-NRFANRHFSA-N 459.593 2.557 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1 1584419119 PZEFTYOYTWMUPW-CORIIIEPSA-N 462.601 2.994 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 1585433631 ICMLJHVUMOOULC-OAHLLOKOSA-N 458.540 2.888 30 10 JFEE CN(C)CCNC(=O)c1ccc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 1585656757 GHZPFXUQNIKCAW-UHFFFAOYSA-N 451.546 2.522 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1587860816 BXMKPQZWRCWBGR-FCHUYYIVSA-N 451.596 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460.600 2.504 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCc2cnccn2)nnc1[C@@]1(OC(C)C)CCOC1 1589581232 QRBDMZFAUUHFJL-NHCICSSKSA-N 456.591 2.769 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1595467675 YISBDPZNTNHYBH-IBGZPJMESA-N 454.575 2.701 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1595501287 OELSLQCZBAPMBJ-UHFFFAOYSA-N 466.615 2.686 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595728824 GGNFGKOBBWPJIH-IEBWSBKVSA-N 450.992 2.738 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1595766558 SNBOBWGFTGZMTK-IRXDYDNUSA-N 476.599 2.664 30 10 JFEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 1623888358 DLDFMSVPPPJYPL-UHFFFAOYSA-N 457.899 2.517 30 10 JFEE C#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@@H]1CCCO1 1625619932 RSJAHISYVNZJHJ-UXHICEINSA-N 456.520 2.559 30 10 JFEE C#CCOc1ccc(CNC(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)cc1 1630360048 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2.725 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(N(C)C)CCSC1 1760253642 SRKQBKHHNRLGEK-GLDPYIMESA-N 492.690 2.572 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1760263133 OUAXDKISUYVLRA-QHCPKHFHSA-N 464.639 2.997 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(Cl)cc2F)CC1 1760265650 GOATWAYCUSRYHV-INIZCTEOSA-N 477.968 2.809 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1760268621 MVHLVRMQOXRSHK-XMMPIXPASA-N 486.624 2.784 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCN2CC)CC1 1760273420 TUICPOBMZVNOBP-BHDDXSALSA-N 470.662 2.647 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760306125 CEEWKBZNGFILLL-QGZVFWFLSA-N 458.364 2.674 30 10 JFEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760310562 JUXNOACBIKGCFZ-AEFFLSMTSA-N 460.376 2.771 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CC)C1 1760317718 JPXNFCYYLNQICA-SBHAEUEKSA-N 460.600 2.945 30 10 JFEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760344869 NACGPNSDKQZVIR-UHFFFAOYSA-N 462.602 2.697 30 10 JFEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760437361 ZRMPXHWOGCQIAX-UHFFFAOYSA-N 477.569 2.749 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1760441054 XKEKGCFRCCPXEH-FCHUYYIVSA-N 489.642 2.718 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760515448 NYIKQGKHFKQMHU-INIZCTEOSA-N 495.609 2.956 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1760530730 UWYQSFKCRJKKIO-LJQANCHMSA-N 496.593 2.552 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC2CC2)CC1 1760550928 ODJRZSOBDCMABY-UHFFFAOYSA-N 494.459 2.840 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](COC(C)C)C1 1760551929 WWQYPMVSLXCGNL-LJQANCHMSA-N 474.583 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccco1 1760553940 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478.896 2.736 30 10 JFEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870584722 BGCYLJPVBWFQJD-GASCZTMLSA-N 474.583 2.629 30 10 JFEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2ccc(Br)cc2)cc1=O 1871007320 WHARSJPCWKEQOU-UHFFFAOYSA-N 460.372 2.957 30 10 JFEE CCCCCCCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(CC)CC)C2)CC1 1872926059 UDSZKMRJPOVLTF-JOCHJYFZSA-N 450.668 2.892 30 10 JFEE COC(=O)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874313646 GPWATHFNOCVPRK-WSDLNYQXSA-N 471.495 2.833 30 10 JFEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2C)c1 1874431685 VCLWZPUZDWEWCQ-WYMPLXKRSA-N 452.540 2.844 30 10 JFEE C=CCOc1ccccc1/C=N/n1c(CCOC)nnc1SCC(=O)NCc1ccco1 1874470717 OFSWBGOWGVXSRT-ZVHZXABRSA-N 455.540 2.916 30 10 JFEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874471324 YTIDHUAPDGKYAG-SSDVNMTOSA-N 492.583 2.562 30 10 JFEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)C2)c1 1891931282 LMIFNZVIACMZJF-UYAOXDASSA-N 472.542 2.563 30 10 JFEE 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30 10 JFEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722624083 RZEXQOLZFHRNPE-UHFFFAOYSA-N 464.530 2.871 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1722671913 FWTCAUJEQXOHKA-IERDGZPVSA-N 450.992 2.920 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1722676815 LTKRCWUGRLLCKB-ZDUSSCGKSA-N 479.347 2.996 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722725457 OSMPXQCQBHDOTI-SFHVURJKSA-N 451.637 2.621 30 10 JFEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1722736318 ZMVIGBHNIVRZFI-SFHVURJKSA-N 491.687 2.571 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1722749700 JHWWMHTXBZFYPL-UHFFFAOYSA-N 469.615 2.616 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCCOC 1740550078 BAWCPPKYRNFCQP-UXHICEINSA-N 462.639 2.819 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740577960 USWXYUCXEFVUCM-UHFFFAOYSA-N 454.600 2.522 30 10 JFEE 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460.630 2.862 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(C)(C)O)CC1 1740701523 KKRGOQPUVQRNMD-UHFFFAOYSA-N 492.393 2.974 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCS(=O)CC1 1740721265 DENPGVIJCILVDT-UHFFFAOYSA-N 469.430 2.555 30 10 JFEE C=C(Br)Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740749394 UFMNFRHFYXLZBS-NRFANRHFSA-N 484.439 2.922 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740773183 VKCQORCPEZVRQE-UHFFFAOYSA-N 493.612 2.750 30 10 JFEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740784823 WSSWJZLJODINKM-OAQYLSRUSA-N 452.559 2.817 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS(=O)(=O)CC1 1740807587 GRCRNYJROJENEH-UHFFFAOYSA-N 461.769 2.704 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCSCC2)C1 1740975178 TURFIPKVFIWPBU-QGZVFWFLSA-N 481.464 2.876 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1741801868 DGLZPTRMKXKIPI-NEPJUHHUSA-N 458.407 2.791 30 10 JFEE 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2.563 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760186134 AQFVTJLQXSNMLN-XBJMDHIQSA-N 477.675 2.657 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1760188261 OCJINTANOZYGHB-IEBWSBKVSA-N 479.002 2.531 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1760193802 RAMIVMCVSULNDB-LJQANCHMSA-N 489.580 2.788 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)Oc1ccccc1OC 1760200897 WTEBULCXZXBKLO-LJQANCHMSA-N 492.605 2.787 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCO[C@H]1C(C)C 1760206645 HNIXLYKUCAMKHL-IGKIAQTJSA-N 474.653 2.777 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1760216590 UAQQIMWZXJXUCJ-UHFFFAOYSA-N 487.608 2.690 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCCC)nc1 1760231861 JSCCNWSVNFXPBJ-UHFFFAOYSA-N 467.599 2.930 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1760234087 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JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCOCCOC)CC1 1690117754 UDAOBWFHMUKCCC-UHFFFAOYSA-N 480.382 2.655 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)C2CCCCC2)CC1 1690146671 TXUYFWRSWBRMQX-QFIPXVFZSA-N 456.635 2.750 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1690171169 XCTRBZZXXMBDQL-HZPDHXFCSA-N 454.625 2.889 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1OC)C1CC1 1690175258 STQFUJKBRLQDGX-GOSISDBHSA-N 460.625 2.724 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1690265903 VXRWREXESVIAPQ-IBGZPJMESA-N 455.588 2.520 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690492468 WJSBASNMDUQEGF-UHFFFAOYSA-N 465.583 2.593 30 10 JFEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccoc2CC(C)(C)C1 1690496859 ADHUPEZBJHTLFZ-MRXNPFEDSA-N 451.593 2.663 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690637751 KNUOVHKGXSTSIE-OAHLLOKOSA-N 459.392 2.683 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2ccco2)C1 1690688428 VCZCZKUJFJUJJO-OAHLLOKOSA-N 475.347 2.840 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690737763 WGWDWSYIMZUJDF-SFHVURJKSA-N 457.600 2.940 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690743769 FJFXLXNFBMZDEJ-SJLPKXTDSA-N 498.696 2.700 30 10 JFEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1696873193 BKGBCQKBMXOXJA-UHFFFAOYSA-N 477.573 2.735 30 10 JFEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CCO1 1696963846 FKGDUACROIGJER-ACRUOGEOSA-N 466.586 2.609 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(N(C)C)nc1 1705480685 XLOIHFKMTSMCAG-MRXNPFEDSA-N 466.615 2.514 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705501606 KSJPKFFRYMPTBJ-PMACEKPBSA-N 476.581 2.992 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1705542425 GHHRHFDOUXGFSP-CVDCTZTESA-N 459.616 2.523 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OCC2CC2)nc1 1705544882 HNDWFHQZJBLJDZ-UHFFFAOYSA-N 451.552 2.650 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705560440 GWGLUVBFTXIJMI-KUHUBIRLSA-N 499.456 2.557 30 10 JFEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1705560791 KKMNZJQFZFWEFB-CVDCTZTESA-N 464.632 2.527 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705563887 HOWIWJJVWIHYMC-INIZCTEOSA-N 473.599 2.973 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)cc1OC 1705583034 PEFDSTTWSLIORT-NRFANRHFSA-N 495.580 2.725 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1705625489 MEOYUVHOXNYORA-IBGZPJMESA-N 491.514 2.839 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)c2ccsc2)CC1 1705633871 ALLILLIDVBJOSX-JOCHJYFZSA-N 452.540 2.578 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705642916 MFERYNSEVQJERC-DEOSSOPVSA-N 480.657 2.532 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(c2cnn(C)c2)CC1 1705666900 YNPJFDQAFTZBFD-UHFFFAOYSA-N 465.627 2.846 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1705668981 YKBBHVWFUKZHEE-GBXCKJPGSA-N 486.638 2.967 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1705685725 HXGWNKAETWDIFI-CQSZACIVSA-N 467.318 2.743 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705694476 RHKBSQCJQBVCLU-CDXJDZJCSA-N 487.004 2.510 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1705716793 VQCNWDQUQWXPDX-FQEVSTJZSA-N 477.631 2.709 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705740694 UDGJXNVPVZHLRO-VWLOTQADSA-N 485.633 2.645 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705786516 PXZUQEAVFRNHKI-MRXNPFEDSA-N 480.660 2.515 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1705877571 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1722536848 IKPAYGMCWHJUMX-UHFFFAOYSA-N 453.591 2.828 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1722676276 WXSDMWDQXYAYJR-UHFFFAOYSA-N 460.538 2.927 30 10 JFEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1722682860 OBJBNRGFUBRBIQ-CABCVRRESA-N 450.634 2.794 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@H](CC)C1 1722693779 ZXQWUMQBTPMJPN-MRXNPFEDSA-N 461.588 2.605 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1722707406 OLRPLDQOKCXHKC-DENIHFKCSA-N 489.642 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccccc2CO)CC1 1722726425 FEYQVKNFGVMRRE-QFIPXVFZSA-N 474.627 2.997 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCCC1 1727222404 FHANHEPSVXEBLS-UHFFFAOYSA-N 482.608 2.630 30 10 JFEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1730730559 FOBXROJWMCWIGH-QAPCUYQASA-N 452.481 2.551 30 10 JFEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC(F)(F)c2ccccc2)C1 1731012266 DMMNEJQTDQDLEJ-LJQANCHMSA-N 494.568 2.533 30 10 JFEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1731184640 GDPYZBICLYSDQE-MRXNPFEDSA-N 462.480 2.550 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCN2CC)c1 1740561381 DLLXJWMTPJKTSO-KCWPFWIISA-N 494.640 2.861 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCCC1=O 1740563691 VMOACVJAGYKYHJ-JZWVFAODSA-N 451.571 2.631 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740622289 WTYZFWJNAXWCBQ-TZIWHRDSSA-N 465.579 2.743 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740626024 RKILOOKNGXNBKM-HOTGVXAUSA-N 466.579 2.669 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CC)CCOCC1 1740647886 YLGVPFKTNROHLL-UHFFFAOYSA-N 483.638 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)Cc1ccccc1 1740655004 VHOMMKJCRLBYSH-UHFFFAOYSA-N 486.601 2.595 30 10 JFEE 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C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1300915600 OVNUBNUNQAZBMJ-OAQYLSRUSA-N 461.632 2.873 30 10 JFEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCCCOC)CC1 1301029816 VSVQUAJQMCUUGK-UHFFFAOYSA-N 461.950 2.795 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1301069790 FPAPCWSLYUMXNR-HXUWFJFHSA-N 456.534 2.918 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCO[C@@H](C)c2ccccc2)CC1 1301086526 KPAIPSKNSMOXKU-RBBKRZOGSA-N 489.642 2.935 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1301499703 DRHKQRQVLDFJPE-JOCHJYFZSA-N 484.601 2.556 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)N2CCOCC2)C1 1301558146 ZXEUZECIZGCISF-OAQYLSRUSA-N 455.603 2.770 30 10 JFEE COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[C@@H](C)C1 1301747860 GQTJEMOPGIVUAJ-LMNJBCLMSA-N 457.600 2.893 30 10 JFEE Cc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)N2CCOCC2)c1 1304442132 HJGICVFWUVYNMK-GJZUVCINSA-N 479.629 2.928 30 10 JFEE CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1310186049 DFPBWFJTZWFPOL-LJQANCHMSA-N 454.502 2.935 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)cc1 1350626723 WELCAYSNOHAVCP-FGZHOGPDSA-N 459.616 2.679 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Br)cnc2N(C)C)cc1 1354103652 CQSMQPWPXDGDLB-UHFFFAOYSA-N 453.362 2.969 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(OC)CCCC2)c1 1358901272 FRNAYFAWHQVLRC-SANMLTNESA-N 481.597 2.946 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1358923875 DRPVXXCFVRAIIU-NRFANRHFSA-N 474.491 2.864 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1358930035 MQBOOHJNHXNDQK-MJGOQNOKSA-N 479.647 2.723 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1358958373 MYYPCPGZONBSBB-HXUWFJFHSA-N 455.584 2.649 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1358959269 FRNWAZJBSCBZFO-LJQANCHMSA-N 456.593 2.999 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1358961983 HYBCSGRFAFIHLJ-UYAOXDASSA-N 478.565 2.959 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965290 RSQURTYFGKSRPN-DYXWJJEUSA-N 475.684 2.678 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CC1(N2CCOCC2)CC(OCC)C1 1359017928 XEYFAHNKXXFTNM-UHFFFAOYSA-N 455.578 2.889 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1nc2cc(OC)ccc2n1C 1359025986 GEUYVBSAPYKGLQ-UHFFFAOYSA-N 465.583 2.663 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CSCCS2)CC1 1359046003 ADYKZAZENFEEJX-GOSISDBHSA-N 461.682 2.745 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359046167 HDSCVWVUIYGHPZ-SZPZYZBQSA-N 477.657 2.598 30 10 JFEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1359055348 BHXAFQLXIDCBRN-UHFFFAOYSA-N 458.676 2.825 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1359071689 ZDKDMXLYTMCHDY-MHECFPHRSA-N 485.589 2.903 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359099530 PQTCUTZMFHUECD-PXNSSMCTSA-N 453.653 2.756 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359197486 QJCUPFKILNNKLE-IBGZPJMESA-N 453.591 2.971 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)(F)F)CC1 1359223402 KICWXYTWXIEFFK-UHFFFAOYSA-N 487.548 2.626 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1501550022 DSGTVFYLSYDHPC-HKUYNNGSSA-N 496.559 2.714 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC=C(C)C)c1 1507549928 BUTJRVVTXASLQJ-LJQANCHMSA-N 455.584 2.593 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1507627668 SYZFPGDKLTWZOI-MAUKXSAKSA-N 486.579 2.740 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(CC(C)C)C1 1507648320 NFJCCDNYCDRXSI-NRFANRHFSA-N 471.609 2.633 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1507680745 LYYAGPKJBURINR-UHFFFAOYSA-N 476.599 2.788 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccccc2-n2nc(C)cc2C)n1 1507716471 LMHHPKZTCONFOI-UHFFFAOYSA-N 458.570 2.920 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(F)cn2)n1 1507717208 RFPVCQMUYLQTDT-NRFANRHFSA-N 453.522 2.585 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2nccc(C(F)F)n2)CC1 1507740602 VVBSTWVNZHHQBO-UHFFFAOYSA-N 457.529 2.753 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507788478 PUYICPFHHZSGOK-DLBZAZTESA-N 477.407 2.540 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1507811551 SAEUGWUUIZNNEH-HYBUGGRVSA-N 468.602 2.557 30 10 JFEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507908951 LTAMOYJGOYTCAC-FQEVSTJZSA-N 499.685 2.615 30 10 JFEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1508057680 JQUVCFXGVLMYIN-HUUCEWRRSA-N 454.522 2.886 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508061315 NRUZYTGIPDYFDB-LJQANCHMSA-N 452.607 2.627 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1508086897 ABAOOVYZEMKKOJ-IPMKNSEASA-N 476.622 2.604 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)[C@@H](C)CC)C1 1508117264 LGAVYOFDOYWIJM-RBUKOAKNSA-N 465.602 2.704 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508117806 SFXZOWQQFYZBRI-JEBJBBSMSA-N 498.971 2.915 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2Cl)C1 1508127693 WDRXXBZBEYMUSO-LSDHHAIUSA-N 454.955 2.802 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)C1 1508130173 VHQKILDPUDQPDN-DSMAOHMUSA-N 467.636 2.900 30 10 JFEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1511883848 AUSYMXWTQRIGEB-HNNXBMFYSA-N 470.578 2.906 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)C[C@H](C)C#N)CC1 1515898367 CXVMCILPBOIRAJ-MOPGFXCFSA-N 455.607 2.584 30 10 JFEE CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1)CC(F)(F)F 1517306626 CNARMNQKFJAMGF-LJQANCHMSA-N 450.469 2.550 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CC)CCOCC1 1538983747 WKXLWWRIVGIEAX-SFHVURJKSA-N 459.616 2.860 30 10 JFEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1539124012 IVPYRTBODAILKZ-UHFFFAOYSA-N 488.614 2.697 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539225128 MBTKXWHFEFCQGK-OAQYLSRUSA-N 469.636 2.671 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOc1ccccc1 1539265485 GRAOXPUCZUMWRB-UHFFFAOYSA-N 455.566 2.994 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1539315001 BHZOWERQCUREGP-UHFFFAOYSA-N 487.564 2.541 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccnc1)C(C)C 1539409169 QJZSIGMLZXBSSG-IBGZPJMESA-N 450.543 2.927 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[C@H]2CCCCO2)CC1 1539489746 WTFQOJCYQMLPLV-HSZRJFAPSA-N 465.598 2.825 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539819369 CEAGPIHLCUJYPC-BHYGNILZSA-N 452.987 2.858 30 10 JFEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540040458 UVZQRKOJOKWGEG-UHFFFAOYSA-N 482.585 2.587 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@@H]2C)C1 1540897006 YIXDEFUPLLDVHB-HBMCJLEFSA-N 490.649 2.852 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1540917089 NJJVFFOMRGREOR-HXUWFJFHSA-N 486.667 2.688 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)CC1 1540928609 FZDVIBUBWRHTIJ-UHFFFAOYSA-N 458.570 2.773 30 10 JFEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1cncnc1 1548380419 YTIZZPDVIQCTJW-LJQANCHMSA-N 472.471 2.614 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC1(C)C 1555545455 FABSTFWSRKAGDF-VQTJNVASSA-N 457.600 2.751 30 10 JFEE C#CCN(C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)C1CCN(C)CC1 1563429950 XYPRBSSORHSCGG-UTKZUKDTSA-N 450.986 2.980 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587657335 SAYNSZROSAKWHN-CRAIPNDOSA-N 451.604 2.592 30 10 JFEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1587705501 FKJHVFRZZCBUQQ-UYAOXDASSA-N 458.559 2.987 30 10 JFEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1587749492 KCOVUMBGNGMBGX-FQEVSTJZSA-N 451.619 2.656 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588058964 GMPWMOIJXYGRFR-IBGZPJMESA-N 491.608 2.650 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1588064472 IPDBKDDEBNNSRS-HXUWFJFHSA-N 482.610 2.831 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(F)(F)Br 1588124434 LSHMZTTUDQDWKW-UHFFFAOYSA-N 475.297 2.735 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCCC1 1588124867 USWKVUBHSLDKRS-UHFFFAOYSA-N 457.582 2.795 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588451670 DRYBOBUATPGVHJ-NQIIRXRSSA-N 475.590 2.660 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCOC2CCOCC2)CC1 1588871767 PNCBTUTZHXUAMV-UHFFFAOYSA-N 467.614 2.815 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1589110337 SUHWMUWSHAEVJU-UHFFFAOYSA-N 465.501 2.989 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1589134068 CZBZBVNAVICSJF-HFZDXXHNSA-N 463.630 2.619 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1589135382 XZEFJBGOTQZOCN-GOSISDBHSA-N 457.888 2.862 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cc(OC)ccc1OC 1589150793 LICIJNCVTVZCDH-GAJHUEQPSA-N 475.615 2.530 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589357668 DIUQRORPAWJFJU-SFHVURJKSA-N 471.359 2.553 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3ccnc3)c2)CC1 1594192995 NCAXLPLXPSCLHE-SFHVURJKSA-N 469.615 2.584 30 10 JFEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1595230007 ZDYDXQBAMJVCFC-HSALFYBXSA-N 486.617 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1595837731 CDCFEEIZMUHHPG-YRPNKDGESA-N 452.621 2.619 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 1595884524 MSFDKPFFNYJIPW-OAHLLOKOSA-N 452.602 2.885 30 10 JFEE C=CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)c1ccncc1 1633820750 WVOAZZJBJLTWKI-HXUWFJFHSA-N 457.552 2.703 30 10 JFEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C)C1CCN(C)CC1 1652512292 PWLIYTDSSHFARF-UHFFFAOYSA-N 455.580 2.974 30 10 JFEE C#C[C@H](NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1F 1686922630 MNAZSVXQKAZEOK-IBGZPJMESA-N 452.939 2.579 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccnc1N1CCOCC1 1689833531 LODMIADHEKHZCE-INIZCTEOSA-N 484.402 2.784 30 10 JFEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1689885424 IBJLSARHQJVKHM-GOSISDBHSA-N 471.631 2.537 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1690134881 JALJLOVNWCVBME-YUMYIRISSA-N 484.645 2.785 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC=CO2)CC1 1690152486 MYYXVDSMFGFSDM-NRFANRHFSA-N 453.518 2.655 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690225654 GXWHADHQMROTPD-UHFFFAOYSA-N 452.357 2.644 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690337131 DVILNNGDVQBSHR-UHFFFAOYSA-N 484.022 2.967 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCCc2ccccc2)CC1 1690398822 HMIKKWLOEXHDCE-VWLOTQADSA-N 453.587 2.692 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1690556239 QUBGKYHLXFLQCW-FQEVSTJZSA-N 460.600 2.808 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1690581438 RRSFYFZVCFYKDC-PKTZIBPZSA-N 451.619 2.560 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1N1CCOCC1 1690586551 PHFMIVDFYDZRNE-UHFFFAOYSA-N 494.621 2.807 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690660551 KBCLHTOOQFSZDF-DHIUTWEWSA-N 477.613 2.841 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690660675 MLLKZMKLTGCGNQ-MHECFPHRSA-N 489.020 2.675 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC2CC2)CC1 1690664383 QUFREGZFQRJFQC-UHFFFAOYSA-N 473.419 2.850 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690668160 VPAMIQGGGXDGON-UHFFFAOYSA-N 452.946 2.784 30 10 JFEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCN(CC(F)(F)F)CC1 1690675196 RSOSMGNXIZRYMW-UHFFFAOYSA-N 475.519 2.658 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2ccc(S(C)(=O)=O)cc2)CCOC1 1696065521 DFMPARNBXPVIRR-ZEQRLZLVSA-N 487.626 2.706 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1705475493 SLLTZDXAOCUNML-IRLDBZIGSA-N 473.581 2.765 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN(C(C)C)C1 1705557410 ULMWLASROZILGI-DEOSSOPVSA-N 463.674 2.833 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(Cn2cccn2)cc1 1705574349 BJUOCUYVQKNJQC-AREMUKBSSA-N 458.566 2.685 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC[C@](C)(CC)O1 1705580738 QEWKGFJDSZWSNQ-JPYJTQIMSA-N 454.600 2.659 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705591829 YWRJECUYALGQBV-OALUTQOASA-N 485.679 2.876 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnc(C)s1 1705627108 VTVZJGJBFDZKQI-UHFFFAOYSA-N 463.567 2.574 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2cccc(C)n2)CC1 1705632391 OMLJGFOJFCWMGB-UHFFFAOYSA-N 457.582 2.849 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cnn(C)c2)CC1 1705635654 FWRRSCZCKWKKIK-UHFFFAOYSA-N 454.376 2.553 30 10 JFEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705690696 DUGNUOPVSOFZDJ-CQSZACIVSA-N 452.328 2.867 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1705695819 KAYPIVPLSBGSAE-NFBKMPQASA-N 464.570 2.529 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1705716156 BBUKHVMHEDTSNG-SFHVURJKSA-N 469.558 2.534 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705733323 LOYWGIQFXSZUPN-YJBOKZPZSA-N 478.479 2.670 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1705746748 AAAGANJQBNQPLC-LJQANCHMSA-N 467.961 2.534 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705813825 VHVGMSIQYCAYIM-UHFFFAOYSA-N 472.977 2.501 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)COCCO1 1705860524 JPTCJJOAHJBADI-HWBMXIPRSA-N 467.570 2.872 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1705865471 YUJRHHWOUFYEHQ-SFHVURJKSA-N 475.590 2.558 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1705932965 PSIGJAVAJZWCQD-UHFFFAOYSA-N 466.611 2.878 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](COCC)C1 1705933959 XHWBEBQXLRYFDP-INIZCTEOSA-N 453.996 2.847 30 10 JFEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705940631 KURIPDFDFBFDIE-QGZVFWFLSA-N 460.991 2.990 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC1(O)CCOCC1 1708760157 HTTBCYDGKQXTNT-JOCHJYFZSA-N 496.612 2.578 30 10 JFEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1709799386 CBOVDYYHCJCUEZ-SFTDATJTSA-N 456.616 2.705 30 10 JFEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)C[C@@H](C)O1 1712287277 FNDSDUMZYLPGGQ-VQIMIIECSA-N 456.547 2.582 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1712486186 FTGZZONJLJGACW-IBGZPJMESA-N 483.617 2.746 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccco2)c1 1722305018 LAXAPSARIDDTOP-VWLOTQADSA-N 456.506 2.897 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)on2)c1 1722306548 CGMBCHRAWLFSHU-UHFFFAOYSA-N 458.526 2.541 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722358754 FVGJWMIOYCDNES-WOIUINJBSA-N 467.595 2.649 30 10 JFEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722358946 HFPLJRHQUQHTLI-LJQANCHMSA-N 492.667 2.658 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722425735 KLHQFQMMIKOXGN-HXUWFJFHSA-N 468.602 2.997 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1722440463 JLXIVZGHGBCTTG-JOCHJYFZSA-N 450.631 2.559 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1722440937 MAEOOXVSOHVDMG-NRFANRHFSA-N 482.629 2.958 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=C)c2ccccc2)CC1 1722449160 HMEFPPKNFAKZMK-UHFFFAOYSA-N 488.617 2.949 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnn(C)c1 1722486802 FBXORCYAZDICRL-UHFFFAOYSA-N 450.366 2.548 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccn2)CC1 1722494218 NJOOHOFIKQLFPQ-KNQAVFIVSA-N 467.618 2.899 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722523194 GDSDDSSFGZLACA-UTKZUKDTSA-N 450.992 2.594 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722524238 VRVYHHFMHKXWCB-WOJBJXKFSA-N 487.605 2.573 30 10 JFEE C=C(C)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722525798 ISIHFBIIJRFVPF-IXDOHACOSA-N 459.551 2.894 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722531129 OCAJWOYMWIQDLY-QHCPKHFHSA-N 457.531 2.586 30 10 JFEE C=CCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722617527 NLGBHCFPNZYRCT-NZQKXSOJSA-N 451.619 2.609 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1722672206 MESQVVUGUCFZCM-LJQANCHMSA-N 466.007 2.686 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1722704321 QWZWQTPQYZDNJA-UHFFFAOYSA-N 484.670 2.730 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nnc1C(C)(C)C 1722731662 PDYLUUBAQCLALT-UHFFFAOYSA-N 498.024 2.931 30 10 JFEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722737736 POVOZONBKKSIDH-KRWDZBQOSA-N 488.639 2.989 30 10 JFEE CC(C)(O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1723036814 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1740626341 ALZCZHDYSPUAIH-LJQANCHMSA-N 484.578 2.832 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC=C 1740676421 CIJILDJAGKRBQD-UHFFFAOYSA-N 488.571 2.533 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCN2CC)CC1 1740692265 HZCBRLXNOXWSJT-FQEVSTJZSA-N 457.420 2.947 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOC2CCOCC2)CC1 1740703931 HJKADTLFJBJBCX-UHFFFAOYSA-N 481.597 2.505 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740759710 KWZFXSULKDRVQD-GPXNEJASSA-N 454.619 2.792 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740760364 PFMXCVWCIMQQRL-XUZZJYLKSA-N 458.651 2.592 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2cccn2)CC1 1740778852 VALGUQPKIYZIFW-UHFFFAOYSA-N 469.615 2.885 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740790358 GRCAWFZGGKGPSR-GOSISDBHSA-N 458.563 2.663 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740797722 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456.490 2.923 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1286439987 ZWTXTLRWEJYVKO-PMACEKPBSA-N 451.575 2.816 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@H](F)C1 1286467696 TUWUVVDDRIOXQG-QRVBRYPASA-N 465.570 2.811 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCNC(=O)OC(C)(C)C)CC1 1286481605 HEIKKWNHLFWMNC-UHFFFAOYSA-N 452.603 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CCOCC2)CC1 1286486392 DTOGSJRETHSSOL-UHFFFAOYSA-N 466.542 2.636 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCNC(=O)c2occc2C)CC1 1286490370 RUPQWRZOWWTVKO-UHFFFAOYSA-N 492.555 2.772 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286500539 YNPNJSNUNOLOIF-HXOBKFHXSA-N 458.584 2.713 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1286536350 YJUQWAOXEQGVDT-FQEVSTJZSA-N 465.348 2.867 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286551877 NVOJTZRWVZYJPZ-IFMALSPDSA-N 484.626 2.658 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286589998 ORQFBDCLFVGBKN-LJQANCHMSA-N 466.007 2.805 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286610130 XYQYJQQAQDJLSS-IBGZPJMESA-N 453.547 2.941 30 10 JFEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1)c1ccccc1 1286615100 GBFDTTRJFRPKCR-UHFFFAOYSA-N 477.569 2.825 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286689217 YVUHNWLPIREOSN-LJQANCHMSA-N 451.637 2.620 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(SC)c2)C1 1286799383 VMWWGXSXPVCYPS-KRWDZBQOSA-N 451.556 2.872 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1286818361 WIVINICDJIDTHE-KRWDZBQOSA-N 465.595 2.867 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(F)cc(F)c2C1 1286820058 CWTTUVJOPNCHRP-MRXNPFEDSA-N 452.527 2.614 30 10 JFEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1286826490 IZWNODAUWKINES-UHFFFAOYSA-N 457.419 2.862 30 10 JFEE 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30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1300591331 OYXVNTJZHGWALS-XMMPIXPASA-N 474.609 2.709 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)(F)F 1300609785 UYDAXYOZACWCHA-UHFFFAOYSA-N 483.458 2.765 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2c(CC)nn(C)c2OC)CC1 1300690475 LYYIRFJRBCJUJO-UHFFFAOYSA-N 471.968 2.846 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301000192 MOVQBRVTEMJLTJ-SANMLTNESA-N 496.612 2.881 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1301019455 LKIWWVFLNAZORZ-NRFANRHFSA-N 450.923 2.719 30 10 JFEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301209577 YTVWEFHXGBKJSB-HXUWFJFHSA-N 468.558 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301483491 PTXSILBUXRZMML-IEBWSBKVSA-N 484.601 2.995 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301520838 QPIASDWMOILYJC-QZTJIDSGSA-N 462.595 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C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507960733 WRAIYPDXQSXQPZ-UHFFFAOYSA-N 454.575 2.884 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC=C(Br)C1 1508047217 CHUUFTJOVATMRI-UHFFFAOYSA-N 452.378 2.870 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1508118559 XONSEXMMYFJISY-BWKNWUBXSA-N 469.586 2.508 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(S(C)(=O)=O)CCC2)C1 1508118850 UITXZKKNWSFLBQ-SFHVURJKSA-N 461.544 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(CCOC2)C1 1508143870 PDQUKGUCZWPWIN-QHCPKHFHSA-N 460.600 2.692 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(Oc2cccnc2)c(F)c1 1508408917 AAQXUHVEDYPEPC-HOTGVXAUSA-N 487.561 2.859 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1509760476 BBNQIHWOUFLGAO-DEOSSOPVSA-N 492.672 2.584 30 10 JFEE CCCN(CCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(=O)OC(C)(C)C 1514764217 DXDFNJHRCQGIML-UHFFFAOYSA-N 454.579 2.827 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516060688 HAJODPDANRAXRI-NRFANRHFSA-N 480.617 2.985 30 10 JFEE C[C@@H](C#N)Oc1ccccc1NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1526685617 ARXCOGRJMKFPRE-HNNXBMFYSA-N 451.545 2.730 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(OCC)cc2)c2cccc(Cl)c2)C1=O 1534393615 ZYLZGXWXINXZNX-FQEVSTJZSA-N 455.898 2.921 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539097496 ORKNROZQRRCALW-GOSISDBHSA-N 455.559 2.689 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1539205718 JPDFPNRTVPEBKJ-SFHVURJKSA-N 486.579 2.569 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1539220378 RMFRNGNZKVCKDZ-KNQAVFIVSA-N 465.019 2.664 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1539391633 GREIARPKTCWWHG-RBBKRZOGSA-N 454.594 2.587 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H](C)C1 1539409340 XTYLNPCNKJHPKJ-UXHICEINSA-N 478.597 2.966 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)cc2OCC)CC1 1539430609 LYWBFLUUFJMZOX-SANMLTNESA-N 467.614 2.829 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1539454726 ZLHKZBVBJONKHS-YADARESESA-N 455.676 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCC2)CC1 1539474278 MTHOBRZJMYATJH-HXUWFJFHSA-N 459.598 2.514 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCCO)CC1 1539615779 LYQXXNXTNBPTMU-FPOVZHCZSA-N 454.575 2.896 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](COC)C1 1539622370 WSMYVVLNQFNHGV-AYBZRNKSSA-N 480.407 2.879 30 10 JFEE C=C(C)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733883 SNSYURWFXKRRLK-NXHRZFHOSA-N 459.595 2.665 30 10 JFEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1540037466 LWDIENUPSGTXGP-FGZHOGPDSA-N 489.642 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](COC)C1 1540898901 YGZDWNKJTKGDOY-GOSISDBHSA-N 470.599 2.799 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccc(C(F)(F)F)n2)CC1 1540982556 UCMUDAIXFHWLLD-UHFFFAOYSA-N 470.459 2.537 30 10 JFEE C[C@@H](CC(=O)Nc1ccc2ccn(CCN(C)C)c2c1)/N=C1/NS(=O)(=O)c2ccccc21 1544168970 DAGKWYKDJGGPAE-INIZCTEOSA-N 453.568 2.659 30 10 JFEE CCN1CCN([C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 1547698971 AQIKTKFVVMWZDL-LJQANCHMSA-N 499.063 2.627 30 10 JFEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 1566673265 DGKDYMGBYQUEFL-NRFANRHFSA-N 458.006 2.583 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1587585874 GMOJHMWTSMXUJV-NXHAUGRDSA-N 469.343 2.692 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1587766385 SHIGANZUSYWTOD-HSALFYBXSA-N 463.648 2.505 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588020839 ZMIYALCPQCCRGR-CZTZKLFOSA-N 452.603 2.935 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588059123 JIFIELPIZFSILJ-UXHICEINSA-N 477.030 2.964 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](CC)N1CCCC1 1588078657 KEUBMLSNUUZLBM-OAQYLSRUSA-N 452.990 2.809 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1CCS(=O)(=O)CC1 1588105349 VNJJOUNDYOGFDZ-UHFFFAOYSA-N 461.385 2.605 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 1588723434 NBVNIZJEZFKYCE-JAXLGGSGSA-N 483.617 2.572 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1588769800 YJTYZJOBTHSYKH-UHFFFAOYSA-N 469.655 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN(C)Cc2ccccc2)CC1 1588913176 BAGSTHHGWMSHGW-UHFFFAOYSA-N 471.609 2.828 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](CCC)OC)CC1 1588923820 MYQHSRGPSKINQW-QHCPKHFHSA-N 475.597 2.912 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1589568353 JJPSXWMCPWUEIQ-QPPBQGQZSA-N 486.661 2.857 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1589581194 QFSCFCIYVKHMKF-UHFFFAOYSA-N 466.634 2.502 30 10 JFEE C=C(Cn1c(N2CCN(CCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1593800459 OJBBGWMJSKBSTJ-RUZDIDTESA-N 455.603 2.801 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1593840341 GTMOPPFBUTXSPE-LJQANCHMSA-N 457.918 2.821 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1594626784 OXGBAFLHHMGZTB-PMACEKPBSA-N 461.636 2.661 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1594813592 UZDOLFIEPOTBRP-VXKWHMMOSA-N 479.691 2.721 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595496581 AOLVJMCDEPKOCE-INIZCTEOSA-N 473.484 2.924 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595506734 KZPPDECYZHYZDA-HXUWFJFHSA-N 484.409 2.569 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1595562289 SUFYHIGORNZLDL-UHFFFAOYSA-N 480.594 2.691 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1595812583 YEAJFLPKKCWKEQ-PXNSSMCTSA-N 473.624 2.893 30 10 JFEE C=CCSCCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1595905036 BAIIUFWXSANHNC-IBGZPJMESA-N 463.570 2.924 30 10 JFEE Cc1nc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)CC2)oc1C 1611838301 FCXPKPLQSLZJJK-UHFFFAOYSA-N 476.585 2.612 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1613426744 DUFOKLSFVSJRJF-WIYYLYMNSA-N 454.575 2.752 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1613554945 AOJVCMHMIVBUGA-GOSISDBHSA-N 485.555 2.590 30 10 JFEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1615027699 AWQZWHFSGVBZTN-HXUWFJFHSA-N 462.558 2.755 30 10 JFEE C#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C1CCOCC1 1645986749 NDWUADWVBQLKEK-HXUWFJFHSA-N 457.508 2.862 30 10 JFEE C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1653747441 FASPZGOALDOQFX-CJNGLKHVSA-N 459.428 2.799 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)c1 1660875356 XOCAUDZTWPBKJN-UHFFFAOYSA-N 451.331 2.840 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)CC1 1689910554 JQQISZWVWIOYQT-UHFFFAOYSA-N 450.587 2.862 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689985922 FKNJNUVDPBFECL-INIZCTEOSA-N 493.511 2.976 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689997230 YDQNLLYCUFZIAW-IRLDBZIGSA-N 472.611 2.670 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 1690111348 AADLHWKGTVQWAS-OEMFJLHTSA-N 467.614 2.925 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1690182950 IHXDCCSKAUMFQB-UHFFFAOYSA-N 483.667 2.920 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)COC)CC1 1690239405 WBNLTILZDUJLDC-NQIIRXRSSA-N 459.978 2.875 30 10 JFEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690276144 MOCQCGKNJQAEFT-UHFFFAOYSA-N 454.394 2.755 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690490345 XDCVQZVELZNQOF-GOSISDBHSA-N 457.604 2.951 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCSC2(CCOCC2)C1 1690677156 POTCERYNCHFDMO-UHFFFAOYSA-N 487.626 2.660 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690694805 VYNUAUUKCFTOOI-BLRPHQBRSA-N 468.945 2.906 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1690723271 MHLKAPBLIFRIKQ-OAQYLSRUSA-N 450.992 2.594 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690729772 RQSYWWLRZNXZHE-RTWAWAEBSA-N 474.627 2.938 30 10 JFEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)cn1 1691631367 AOSLBUVWMZGYSM-OAQYLSRUSA-N 494.625 2.791 30 10 JFEE CC(C)N(CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1692484350 HRJLGNCMPDQDOR-QFIPXVFZSA-N 476.626 2.799 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)O 1692819108 GGNFHOLAGUWWTD-KRWDZBQOSA-N 465.533 2.921 30 10 JFEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1693145568 GTDNLTOPWFWBGF-IEBWSBKVSA-N 464.492 2.779 30 10 JFEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1696577229 BXRPTJOFABGJDI-QFIPXVFZSA-N 466.586 2.993 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOc2ccccc2)CC1 1705507703 JAXYTVFESXWHAC-UHFFFAOYSA-N 450.587 2.519 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705543387 DUHYYUANUKDMNR-OAQYLSRUSA-N 471.005 2.667 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCC[C@@H](C)C1 1705550416 IFVQEGISTQJFLK-LJQANCHMSA-N 457.648 2.820 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1705565865 XGXUBFJMCTUICD-GOSISDBHSA-N 453.568 2.906 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1705571834 JHUDCGGSHKZDCH-INIZCTEOSA-N 489.648 2.711 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(Br)c1 1705597027 UIMUHVNNMZPYSK-KRWDZBQOSA-N 456.344 2.512 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCS1 1705626784 JETOMQSDMJPSRN-KRWDZBQOSA-N 462.645 2.610 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCCCCO)CC1 1705648887 BRPPCFYJBRIWPY-UHFFFAOYSA-N 462.598 2.955 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1705649589 BEQKPKSLCFYGND-RDGATRHJSA-N 477.609 2.847 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705657990 YJMOLHNOGMJHSE-UHFFFAOYSA-N 484.645 2.975 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705665445 UGQSXFOFMYGSOB-VAMGGRTRSA-N 495.715 2.567 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705681120 NRZUMTHYQMJIER-AAEUAGOBSA-N 468.368 2.669 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705700913 AEWYYTIMPICTHG-XMSQKQJNSA-N 477.606 2.507 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCSC1 1705860895 QLIKIIQPJXYIAU-AWRGLXIESA-N 469.611 2.934 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1705885722 HCLKPYCWTGBCID-UHFFFAOYSA-N 458.994 2.596 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(C(N)=O)CCOCC2)C1 1705929709 WGOCHANILOXBOB-NRFANRHFSA-N 469.586 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1705934970 CKHHKPJBXMDDGI-IBGZPJMESA-N 471.558 2.662 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CNC(=O)OC(C)(C)C 1706072814 HWHGFMPVQPEWBR-IAGOWNOFSA-N 494.600 2.949 30 10 JFEE C[C@@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1708085814 BWNYUVCNYODFFD-GOSISDBHSA-N 456.616 2.562 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCN1CC(F)(F)F 1708175445 FYWZGTNRLUCBIG-MRXNPFEDSA-N 475.519 2.935 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1710308393 DSMXBWMBVDIFJQ-DPOKWSEZSA-N 466.586 2.752 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@]2(O)CCC[C@H]2C)c1 1722307097 JDGDWFDNMQSDQI-NIYFSFCBSA-N 458.566 2.871 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722372327 UOLLHIPIOFSMSN-SFHVURJKSA-N 463.003 2.762 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1722372447 WUZKGNBATBCICL-QFIPXVFZSA-N 498.678 2.678 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1722435567 KUAGHTHBNCDOFJ-VQTJNVASSA-N 453.587 2.923 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1722438883 GFCQUXSEMJJFBP-UHFFFAOYSA-N 456.472 2.966 30 10 JFEE C#CCSCCn1c(N2C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1722464689 PBMHALCFGAWRKY-IAGOWNOFSA-N 479.647 2.692 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722466585 AJNZVMDXCVHVMJ-FOVJLYNBSA-N 472.611 2.577 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722586217 XBIDWBFTYOUAQY-UHFFFAOYSA-N 463.604 2.646 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1722665370 AQFPGWPOKRLKER-UHFFFAOYSA-N 461.574 2.748 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722701019 CMYIZIXSCASLKT-UHFFFAOYSA-N 479.503 2.722 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1722715322 NUXGEMZNJNSQDX-YJBOKZPZSA-N 468.526 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722726962 KPGLPINXZKXFPR-GOSISDBHSA-N 495.045 2.914 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1722732935 SWLCFVXLVPHDRF-UHFFFAOYSA-N 477.034 2.839 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCCC1(C)C 1723602599 BGUAENQFXNCNMX-HHHXNRCGSA-N 493.656 2.941 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1728645230 GOPVRPZCPHZIQH-LJQANCHMSA-N 479.629 2.669 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(=O)N1CCOCC1 1740555957 DWZGHEDZZMZLIC-OAHLLOKOSA-N 466.369 2.871 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(N(C)C)CCSC1 1740560559 LFUBMGZGBKVQBJ-BKMJKUGQSA-N 481.714 2.538 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cc(Br)cn1 1740610718 JQXAHJCYBFMDDZ-SFHVURJKSA-N 457.332 2.909 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1740619842 LSTWRENOMDXDIU-KRWDZBQOSA-N 472.592 2.699 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740622183 AHYNTYZOIFGMKE-UXHICEINSA-N 457.600 2.625 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)CN1CCN(CC)CC1 1740635077 KYOXHDVXDNUCST-HXUWFJFHSA-N 469.033 2.954 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NCc1ccccc1 1740644564 LQJDTRGRLALFHI-SZPZYZBQSA-N 490.608 2.828 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740673819 IIYCQCDAAUUKFK-GOSISDBHSA-N 462.579 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCC(C)CC2)CC1 1740710474 XSBAPVKMGMUBLX-DHIUTWEWSA-N 484.689 2.894 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1740717833 BGNHBLAVKJLRAB-NRFANRHFSA-N 455.628 2.869 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740832553 FOVAIGVTBDHMQG-QGZVFWFLSA-N 478.590 2.899 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1740928086 TXUVCZUHRLZRSC-UHFFFAOYSA-N 452.540 2.887 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1740966261 QVFJKCHFFVCCRN-MSOLQXFVSA-N 463.485 2.611 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740969353 NIHSHRHPLCFICX-FUHWJXTLSA-N 478.519 2.915 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)NC)C1 1740975191 MWMKEHLRULSZMC-AWEZNQCLSA-N 460.387 2.582 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1740983181 CXBSFEMTDQDEMJ-WOJBJXKFSA-N 488.633 2.829 30 10 JFEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1741004245 UTNQAWLZJXCYCW-GHTZIAJQSA-N 474.700 2.838 30 10 JFEE C=CCSCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741004434 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C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1748821141 MKEPJEOIMZNLIM-NRFANRHFSA-N 495.605 2.553 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1oc(CC)nc1C 1748892655 UOCUTSFWVWFJTK-LJQANCHMSA-N 482.585 2.957 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCN(CCC)C2)CC1 1748999483 XPYHTBZSCPMAAI-QFIPXVFZSA-N 450.631 2.907 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749098760 MBFDMGVNAGDJFM-IUODEOHRSA-N 455.740 2.867 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1749600528 BXEIOHKCFXCBFO-UJQZNKFNSA-N 467.636 2.900 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2C(F)(F)F)nnc1[C@]1(OCC)CCOC1 1749682303 RDVLTMKNAGNOJW-NRFANRHFSA-N 467.492 2.888 30 10 JFEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(C)C)CC2)cc1 1749686267 SFFOJGDWOYTVIB-UHFFFAOYSA-N 452.603 2.792 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 1749730011 WTSYXNGHBKIMEZ-UHFFFAOYSA-N 470.574 2.709 30 10 JFEE 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2.864 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760336857 KLXYLXIYBPYKOE-NQIIRXRSSA-N 455.559 2.688 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760346391 WDBIEGUDKNQDNS-LSDHHAIUSA-N 461.485 2.930 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCS(C)(=O)=O)CC1 1760384541 BLPQKWRIDYQNRS-UHFFFAOYSA-N 454.980 2.825 30 10 JFEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)NC(C)C)CC1 1760398253 QYCIJDXYHSUMQU-UHFFFAOYSA-N 473.647 2.864 30 10 JFEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760452729 IQJVMXZFSOLWDI-UWXQAFAOSA-N 464.607 2.684 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CNC(C)=O)CC1 1760526839 VCYWNVREBHJAST-UHFFFAOYSA-N 482.629 2.809 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1761439145 AOBHANHTGKXLDG-YDIMBITNSA-N 491.612 2.760 30 10 JFEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)CCC(C)C)c2ccccc2c1=O 1764494488 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473.576 2.857 30 10 JFEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(OC)c(Br)c3)N2N1 588226853 DOOIUINJIABLKK-SFHVURJKSA-N 457.353 2.520 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)n1C[C@@H]1CCCO1 603800474 XZOODKVIGJWIGY-IBGZPJMESA-N 495.988 2.807 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(CN4CCCC4)cc3)cc2C1=O 918812336 MCPMZXPSFUVGOD-UHFFFAOYSA-N 461.518 2.538 30 10 JFEE C=CCc1cc(OCC)cc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1O 919936168 SDBHJDJMTKLIOY-UHFFFAOYSA-N 461.540 2.934 30 10 JFEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC[C@@H](O)c3cccc(O)c3)C(=O)[C@]12C 1075952354 PHHNXDFRROEQDY-SGKLPJTKSA-N 479.485 2.597 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 1125488931 GSXKTAIAVTZTGE-QFIPXVFZSA-N 459.546 2.530 30 10 JFEE N#C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)nn2)CCN1Cc1ccccc1 1126036172 BFOQKPVMUUKPER-LJQANCHMSA-N 451.328 2.880 30 10 JFEE Cc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1NC(=O)c1ccc(Br)cc1 1128812493 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C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@@H]1OC 1507650095 BKNDTEXHAXJRTL-HBMCJLEFSA-N 471.602 2.517 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCSCC(F)(F)F 1507662539 KDWRADCQULDBFV-UHFFFAOYSA-N 499.584 2.954 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1507738630 SQZQIVYZRADHQN-QGZVFWFLSA-N 458.607 2.624 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507746664 SJLQVTJOOMUADC-PMACEKPBSA-N 496.637 2.874 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1507792520 ZMAQOBLDZZCQGB-RTBURBONSA-N 462.392 2.894 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1508024795 LMIIDVSFIWHGBY-QHCPKHFHSA-N 458.632 2.780 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1508026592 TXNNPHGCNBNKRA-NRFANRHFSA-N 471.627 2.603 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1508073055 GXPNHMXTUHUXFM-UHFFFAOYSA-N 470.618 2.823 30 10 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2.862 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539459535 IWWDXBUJVNTBHM-FGZHOGPDSA-N 466.678 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2CCOCC2)CC1 1539481936 IKEBAQCHBAPBQM-UHFFFAOYSA-N 471.552 2.930 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1539623357 MAEJAEBBHCHGME-FVJLSDCUSA-N 455.559 2.645 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1539643835 NKYZUJQVUMQLCZ-URXFXBBRSA-N 453.587 2.722 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1539875868 XRWIYTBVGTVANT-VWLOTQADSA-N 469.586 2.634 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1540170775 QGHITSXFQFVQMK-KRWDZBQOSA-N 465.620 2.758 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1540867841 JUBDXGNCOXWPRZ-IBGZPJMESA-N 483.370 2.983 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1541888661 HHRHSBQIKASORM-PBHICJAKSA-N 451.643 2.535 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)C1 1541990201 BMWALQHKQLTMKN-NFBKMPQASA-N 457.600 2.917 30 10 JFEE CC1CCN(C[C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)CC1 1544481364 CUMDQXFGRGZBDK-QFIPXVFZSA-N 479.629 2.765 30 10 JFEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1547250586 HUNUSZFOTGNUDO-KRWDZBQOSA-N 464.599 2.683 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1547384436 AZFAXKNTIUEKIP-NRFANRHFSA-N 497.625 2.646 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)Cn1cc(C)cn1)CC2 1548378077 QUCVCTKRCZXRSI-FQEVSTJZSA-N 488.514 2.573 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C[C@H]1C 1555596799 AGWSHPAWLBTKPV-NQIIRXRSSA-N 456.616 2.781 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2c(CC)noc2C)c1 1587689620 NOMKAEADEJILPN-UHFFFAOYSA-N 458.526 2.642 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1587847234 GJIWDQAUODOCDD-HXUWFJFHSA-N 477.613 2.806 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588054000 JPSTXPYWSMZWDP-SFTDATJTSA-N 478.659 2.786 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1588109800 OAAVHKCLSNGDBG-UHFFFAOYSA-N 468.001 2.941 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N1CCCCC1 1588189590 NNJGYVIDRGHWHJ-UHFFFAOYSA-N 479.581 2.836 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCC[C@@H]1C 1588581038 DFVDHOMKIDYZJZ-MGPUTAFESA-N 450.381 2.683 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1588811469 JXLGDAYPGGEIHR-HXUWFJFHSA-N 468.568 2.939 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1589053795 UHEITBWUNXVJCL-RHSMWYFYSA-N 492.527 2.714 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1589529364 NAFKJNHZXWUVRW-VGSWGCGISA-N 493.612 2.524 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(=O)(=O)CC 1589544137 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690248317 MQGYHQFAWZCYND-CDXJDZJCSA-N 450.580 2.859 30 10 JFEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)nc1 1690270181 WVLWONNHKMXCLE-UHFFFAOYSA-N 450.591 2.822 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)C(C)(C)C 1690517605 IGDOIRNBTQLBPS-UHFFFAOYSA-N 452.577 2.806 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCCS2(=O)=O)C1 1690689929 OCPMXCGGCCKKDN-SFHVURJKSA-N 496.431 2.524 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690735800 JAOAFBYAIBIMCL-UHFFFAOYSA-N 476.404 2.611 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1690742285 LPBJCXCLBBCCAG-MRXNPFEDSA-N 453.572 2.618 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690742639 XBLNQGUMXZGTQS-GOSISDBHSA-N 460.579 2.623 30 10 JFEE CC[C@@H](C)N(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1694198276 DLJVJZBAIWNQKY-LJQANCHMSA-N 493.635 2.979 30 10 JFEE 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10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)C2CCCCC2)CC1 1722445995 IKXFNKWVCNXNIL-UHFFFAOYSA-N 463.630 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1722449858 RIWCHVWITPSMEE-UHFFFAOYSA-N 458.607 2.501 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722453314 XYIBSCPTPFNOEB-FQEVSTJZSA-N 473.046 2.708 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1722461315 FAYTWVHVRCAPFT-UHFFFAOYSA-N 493.637 2.965 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722465387 KZOLUOOHPRISGD-GGAORHGYSA-N 480.638 2.642 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722588308 POUXZDYEPUQVHC-HNNXBMFYSA-N 481.560 2.805 30 10 JFEE C=CCCCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1722598635 MCIOLBAXSPMRQI-DVECYGJZSA-N 479.622 2.921 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722628097 VXSRBSIONBDXIS-MOPGFXCFSA-N 474.606 2.754 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1722688855 MZWQCOVCPKCYEX-BXWFABGCSA-N 463.966 2.614 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)[C@H](C)[C@@H](C)O3)C1 1722710413 IIUYXGTUVOOWNT-SFNKJDCFSA-N 475.615 2.602 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@@H](C)C2)C1 1722715759 QMDPLTATLMXUNI-NLWGTHIKSA-N 460.600 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@H]1C 1722724213 QJNGPCNMTTZQBZ-CVEARBPZSA-N 454.980 2.897 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCOC1=O 1723329809 DXMJMLHOACIHKG-UHFFFAOYSA-N 455.538 2.656 30 10 JFEE CC(C)N(C)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1723514223 AFQGGYZSGBCORZ-WIYYLYMNSA-N 458.632 2.807 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1727927377 DXOOKUUYUHCTHR-XHNVNVPESA-N 466.586 2.753 30 10 JFEE CN(C)C(=O)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1729306176 BTLWLSOLDIJQNO-KSFYIVLOSA-N 463.558 2.660 30 10 JFEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)C1CC1 1729896634 GWLFIDGYEMCDIT-AVRDEDQJSA-N 466.586 2.847 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)CC(F)(F)F)cc(OC)c1OC 1729971943 AWUKMRISIDIAKG-MRXNPFEDSA-N 498.506 2.584 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[C@@H]2CCCCO2)c1 1740563592 VHVBTNXPECFTEJ-SFTDATJTSA-N 464.570 2.635 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1740620510 PSTAHEPIFCZVLT-MRXNPFEDSA-N 499.406 2.900 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1740670483 QFWUKUWZDFNJQP-OALUTQOASA-N 479.647 2.819 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC2CCOCC2)CC1 1740691760 CJLQCSWJGGXTEA-UHFFFAOYSA-N 453.587 2.924 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1740692903 RBAUVXYQWIIHEJ-JOCHJYFZSA-N 463.504 2.753 30 10 JFEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](C)N(C)C)CC1 1740698236 BAOUVHWVMGLWDG-FQEVSTJZSA-N 459.038 2.957 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccnc(OCc3ccccc3)c2)CC1 1740706509 ZJWRHDGGVWLHCL-UHFFFAOYSA-N 458.566 2.829 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)COC)CC1 1740707741 OEIBGSWKRPAALJ-ICSRJNTNSA-N 488.633 2.598 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740759617 DJILWOLJSJJLQD-SIKLNZKXSA-N 467.618 2.668 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1740825596 PRKKVXHVOLIRJL-INIZCTEOSA-N 468.526 2.995 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1740835304 DMZVTOMMTBQXDO-GJZUVCINSA-N 474.694 2.995 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740963636 RMBOMNOHORCQTC-HXUWFJFHSA-N 482.629 2.907 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(NC(=O)OC)c2)C1 1740970537 NKBCCPFCSXORGY-LJQANCHMSA-N 477.525 2.933 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1741001770 AWFNNLFEZIFTOU-UHFFFAOYSA-N 472.634 2.672 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1741987501 DPKNHCUDMLBGRC-IUKKYPGJSA-N 492.646 2.915 30 10 JFEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(CS(C)(=O)=O)c2)n1 1742319228 CFWDFEFJECBPAD-UHFFFAOYSA-N 450.568 2.981 30 10 JFEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)cn1 1746346345 BPGJQFVBDMFVQK-FQEVSTJZSA-N 488.518 2.933 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748809782 WEOHRGIEEMYOEH-QFBILLFUSA-N 478.018 2.530 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1748831312 KHVHWLPLAOUGAI-GMAHTHKFSA-N 483.638 2.719 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(N(C)C)CCSC1 1748959781 ZDDHONLKDYANBO-XMMPIXPASA-N 465.627 2.654 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1749015866 QEHXUONCEKSJMM-OAQYLSRUSA-N 487.551 2.864 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749037743 HYNXEJXNTRYQQO-CEXWTWQISA-N 479.647 2.814 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749096113 GWCNKAGJKYOWIY-UHFFFAOYSA-N 468.359 2.996 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CCO)Cc1ccccc1OC 1749126484 COSPICBHEYDALR-KNQAVFIVSA-N 450.543 2.724 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1749144033 RJGGWEZLKRGACT-OAHLLOKOSA-N 452.650 2.869 30 10 JFEE C=C(C)COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749213397 JUMRWGOWDCZMHE-LJQANCHMSA-N 482.610 2.921 30 10 JFEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1749246444 CIXMXMKOPZAPTQ-UHFFFAOYSA-N 456.978 2.928 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cc(OC)ccc21 1749600475 ZLJYTRWWXITLPF-VQTJNVASSA-N 474.627 2.948 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1Cc2cccc(Br)c2C1 1749677840 MCZPHUQIPHZTMP-UHFFFAOYSA-N 470.375 2.725 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nncn2CC)C1 1749718875 JIVUCSFDZDKTMI-MSOLQXFVSA-N 472.594 2.791 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749738078 DQOBPYYNNZOIDJ-PMACEKPBSA-N 460.600 2.629 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC1 1749740164 RMCZCZFHFORSAE-UHFFFAOYSA-N 461.371 2.601 30 10 JFEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1749949197 BOYQYSONXPPMAB-PKTZIBPZSA-N 479.629 2.954 30 10 JFEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1750203315 BUVDBHADGOVOII-UHFFFAOYSA-N 498.634 2.712 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCCO[C@H](C)C1 1760171535 DEYHLYZMCUWOIU-NHCUHLMSSA-N 474.650 2.963 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N(C)C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1760182531 KEAWAQHIUZYSLZ-KNQAVFIVSA-N 469.655 2.518 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)CCOC 1760196983 URRZQUMXWSZBRW-UHFFFAOYSA-N 456.616 2.682 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C1CCCCC1 1760197513 ZECLILUYSRBZPR-DEOSSOPVSA-N 454.596 2.753 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)Br 1760227255 ZYXLWIHLPKOAJS-UHFFFAOYSA-N 476.347 2.643 30 10 JFEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(=O)(=O)Cc1ccon1 1760228428 GFTFFGMHPSFZOX-UHFFFAOYSA-N 488.639 2.843 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C 1760249554 NWROKSZHFZVJCG-DHIUTWEWSA-N 481.645 2.989 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCCO[C@@H](C)C2)CC1 1760255801 IUEUHUDDSAELBR-IBGZPJMESA-N 475.012 2.994 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1760272043 WUBYMPPYESCPBU-UHFFFAOYSA-N 486.473 2.834 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OCC)cc2C1 1760300209 BQBDZZIQXKNQDY-AWEZNQCLSA-N 484.420 2.758 30 10 JFEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760346865 LMFQWQJGXRQEPA-UHFFFAOYSA-N 451.619 2.657 30 10 JFEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760351834 KWKKTKQNSCOVPB-MSOLQXFVSA-N 475.933 2.568 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760355277 DMBCAXQKABJIMY-UHFFFAOYSA-N 453.591 2.969 30 10 JFEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760355609 PSVLSGKJAZFBOW-AREMUKBSSA-N 493.612 2.620 30 10 JFEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1760417279 AINPVKJXBCBHBD-JOCHJYFZSA-N 487.608 2.873 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760510912 VLTKTXNLCOCQLF-SFHVURJKSA-N 467.636 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](COC)C1 1760548901 SADLOVAJJOGLNS-LJQANCHMSA-N 475.615 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](C(=O)OC)C1 1760550664 FZQGXOGWEJISRF-CVEARBPZSA-N 478.640 2.732 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760555094 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JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NCC=C)CC1 1286486668 HHWACFQWVRWABY-UHFFFAOYSA-N 480.638 2.544 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nnc(C)s2)CC1 1286486790 BHDMPWSRIKNYHF-HNNXBMFYSA-N 483.573 2.731 30 10 JFEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286673241 ADQPCGPMKNRAQA-UHFFFAOYSA-N 461.632 2.756 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1286792002 JRGHWHLXRVIXQY-OAQYLSRUSA-N 452.603 2.841 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1286818284 FRHGDEFJUDUPAV-KRWDZBQOSA-N 458.563 2.728 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(OC)CCOC1 1292104049 CJGLPVSRPNQILR-AREMUKBSSA-N 495.628 2.590 30 10 JFEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)N1CCCC1 1292160752 CMOGCYRJRANJCZ-FCHUYYIVSA-N 465.602 2.740 30 10 JFEE CCCOc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1294981195 CGEPIZMEBPOSOY-HXUWFJFHSA-N 496.593 2.584 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)C1 1299362917 ABCIJDPNJXTYHP-IBGZPJMESA-N 454.600 2.643 30 10 JFEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCN(C(C)C)CC2)cc1 1300264225 CPBCVOZHWOWZPT-LJQANCHMSA-N 456.591 2.697 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1300328817 NEFOYCWVGMZOCX-SVPADUAOSA-N 466.630 2.671 30 10 JFEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300394080 LLXZKVOPFALVAW-JOCHJYFZSA-N 494.596 2.923 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1300458388 OWSQXKQYBCUJNO-FQEVSTJZSA-N 478.597 2.796 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300481528 ATWMBQIAAIYZRH-HXUWFJFHSA-N 451.577 2.862 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)cc1 1300578351 LILZROPNDGGHRL-IBGZPJMESA-N 454.596 2.630 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)C)C1 1300618875 ODVMAKDMFGXEKT-IBGZPJMESA-N 457.648 2.818 30 10 JFEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300671111 BZDCXITUSQDZQK-SLFFLAALSA-N 475.634 2.977 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300733085 HQABIOIMVLFLII-VQIMIIECSA-N 472.590 2.964 30 10 JFEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS(=O)(=O)CC1 1300742306 DRNBLZYTVWUNTA-UHFFFAOYSA-N 472.592 2.718 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1300776507 LNEHXSPCSQZPRZ-MOPGFXCFSA-N 469.611 2.870 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1300779010 NMFFZYCIUUNYGO-UKPGIYTDSA-N 460.003 2.765 30 10 JFEE C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300944657 AVKAYGYTRJWQMY-QRVBRYPASA-N 473.599 2.648 30 10 JFEE C=C(Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1301007020 AEPMKSLYJUPZLS-UHFFFAOYSA-N 452.584 2.962 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301160085 LZXSQHCVPDJUID-GOSISDBHSA-N 486.642 2.700 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1301349207 KXRWHWONDHOOQC-UHFFFAOYSA-N 487.651 2.766 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](COC)C1 1301501276 UPBSPYUWTJZDNX-RTBURBONSA-N 476.622 2.558 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2C(F)(F)F)C1 1301537581 CEUWUGYZOARUGV-GDBMZVCRSA-N 473.521 2.737 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(F)cc(F)c3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596626 UPKKSDDKNNMOMJ-HSZRJFAPSA-N 496.580 2.760 30 10 JFEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1304730840 FCILHXWWXYMJBM-QHCPKHFHSA-N 450.522 2.709 30 10 JFEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(-n2cncn2)nc1 1305724271 ABQXKXKYVYSIOC-UHFFFAOYSA-N 484.568 2.729 30 10 JFEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1313656716 GEKNAZNXSIRHDG-YADHBBJMSA-N 492.672 2.680 30 10 JFEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1316347487 GDCNVEFKLFKQQV-UHFFFAOYSA-N 456.616 2.564 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1358886158 YZRKWRNVQKZORD-BXKMTCNYSA-N 465.627 2.570 30 10 JFEE C#CCCCn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1358936109 CUJSARGZJZJVOM-AREMUKBSSA-N 462.598 2.928 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1358957773 AECGZHPXXMDRHC-LJQANCHMSA-N 460.600 2.786 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1358983621 PQZJVHIHWJOONU-MAUQACMESA-N 483.613 2.850 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N3CCSCC3)cc2)n1 1359027819 XBCBAZGRHDNKKC-UHFFFAOYSA-N 465.627 2.671 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCN(CC)C2)CC1 1359033136 QVHVIAQKZJLKSO-NRFANRHFSA-N 466.630 2.838 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1359046683 BJEBNNBXASARMA-JIPXPUAJSA-N 463.626 2.970 30 10 JFEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CCOC)C(=O)C1 1359050141 HSJABZLUUJKVML-UHFFFAOYSA-N 496.406 2.508 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359050193 JGJZCADPVFGSTP-KRWDZBQOSA-N 470.567 2.926 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359073631 YNPMJWUNMMCGOD-AVRWGWEMSA-N 494.596 2.745 30 10 JFEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1359154192 HFJDSAKDWFVUFK-UHFFFAOYSA-N 472.977 2.514 30 10 JFEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1359207341 ICQLLIYBFIUELE-UHFFFAOYSA-N 450.587 2.680 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359223547 OSCIRNRPDWQPQZ-QHCPKHFHSA-N 476.599 2.570 30 10 JFEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 1359240015 DAPAXVSGHNFVEU-UHFFFAOYSA-N 453.609 2.592 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1359299654 KMBIEMVTNUJLLY-HXUWFJFHSA-N 487.004 2.828 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1359300579 GDRKNCGAWAZXAN-MSOLQXFVSA-N 462.595 2.515 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cscc2C(F)(F)F)C1 1359313999 UVJAVELKFGNSPB-JSGCOSHPSA-N 479.550 2.798 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359347924 WMUKUZOGVDUSIV-LJQANCHMSA-N 458.588 2.591 30 10 JFEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1359763050 CSTSCPSHXPKXNE-CJFMBICVSA-N 496.612 2.651 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)s1 1467307033 BEOHCXZFSUJWTJ-UHFFFAOYSA-N 457.618 2.661 30 10 JFEE C[C@H]1CCCCN1C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1493648322 HSHUONGFUMGLPU-RBBKRZOGSA-N 499.685 2.799 30 10 JFEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1500410436 GRHDHCBVBRKBLW-HXUWFJFHSA-N 450.547 2.818 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)c1 1507550633 NOFBLCOOZHVRLI-RXFWQSSRSA-N 477.565 2.956 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 1507589749 ZTHARXWXNOVAON-IBGZPJMESA-N 457.579 2.760 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507594407 FMOHCFMLDOVXAR-VWNXMTODSA-N 478.641 2.876 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507623598 UOGGPGSTFNLFFD-ZWKOTPCHSA-N 481.663 2.705 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507627167 IXENUCVFXNOWBN-GOSISDBHSA-N 450.992 2.898 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccco1)N1CCCC1 1507658856 PNCGYRGFSIYRNH-HXUWFJFHSA-N 457.538 2.818 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC=CO1 1507709867 CSPQNRQVSRAFGW-LJQANCHMSA-N 462.554 2.844 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCCN2CCC)CC1 1507732925 VITXEHZDISEUQG-QFIPXVFZSA-N 466.630 2.885 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(Cl)cc2F)CC1 1507738924 IBOTYWNBJHJNPZ-SFHVURJKSA-N 459.953 2.979 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC(=O)NC 1507743702 BFPCDBSTVNGFHX-UHFFFAOYSA-N 466.405 2.655 30 10 JFEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507774992 FQDPRTONQQYPEX-QGZVFWFLSA-N 453.429 2.833 30 10 JFEE C=C(C)Cn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507836662 VHIJMFKWNGELBJ-RUZDIDTESA-N 486.592 2.795 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1507847523 IIUNTGRZNMPPDU-SFHVURJKSA-N 478.391 2.927 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1508026596 TXNNPHGCNBNKRA-OAQYLSRUSA-N 471.627 2.603 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1508078118 UFOIDFXOKAVQMS-MRXNPFEDSA-N 470.375 2.737 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1508079431 VJXIOVMKIHVVAZ-UXHICEINSA-N 455.559 2.658 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1508106323 VXXMQEKKBDIYPE-OAQYLSRUSA-N 484.626 2.766 30 10 JFEE 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C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1705940211 YNGRKODXKGKBFR-UHFFFAOYSA-N 484.655 2.932 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC1(C)CC1 1706883214 FMHODCISWNJSIS-GOSISDBHSA-N 471.631 2.667 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(C#N)C1 1710886067 BNIWYSXNXAEMQC-NFBKMPQASA-N 488.614 2.592 30 10 JFEE CN(Cc1ccccc1)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1711090000 CYYVDPXVPHZDGI-UHFFFAOYSA-N 472.553 2.714 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2cccc(C(F)(F)F)n2)cc1 1712879466 BHIHAULFGZAHDN-UHFFFAOYSA-N 485.470 2.750 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1722302972 MKDQKDXXNLJKDY-LJQANCHMSA-N 462.554 2.604 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@H]2CCCCS2(=O)=O)c1 1722305827 VMPZYAPUBSDHDO-YLJYHZDGSA-N 457.600 2.815 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722317890 YDBYNQJUCUXOFG-WMZHIEFXSA-N 477.030 2.821 30 10 JFEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722337595 FWRXDYOUEHUGFP-QFIPXVFZSA-N 464.614 2.712 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722358572 DGJNGPNYZFFEHH-PXDATVDWSA-N 486.638 2.675 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722363393 SERIAQLMYCJWST-IBGZPJMESA-N 487.601 2.502 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722370942 SPPYBSXAWSZSOJ-GBXCKJPGSA-N 474.627 2.508 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@H](C)C1 1722398655 GRFKQCQRTHYVRK-RPBOFIJWSA-N 474.653 2.921 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2ccco2)N2CCCCC2)CC1 1722429899 UJHNIOFNIQDFPN-QFIPXVFZSA-N 481.645 2.772 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1722435725 NKYAOBCQSUYNKF-FQEVSTJZSA-N 487.446 2.812 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[C@H](OC)C(F)(F)F)CC1 1722440710 DUSKPYSAFIOTFG-IBGZPJMESA-N 467.492 2.588 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1722449247 ORFWOSNBJKAWPJ-DEOSSOPVSA-N 492.668 2.964 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(OCC(N)=O)CC1 1722501107 DQAMHQFZQGOKTB-CPJSRVTESA-N 483.613 2.926 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722531057 GLCQDXUVQHJDPE-HXUWFJFHSA-N 459.616 2.851 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722559118 LGWPOOQZWHAFQG-RYRKJORJSA-N 465.986 2.583 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1722591958 SYWONNFFULOGBV-UHFFFAOYSA-N 459.620 2.509 30 10 JFEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722626027 GPQDPMKUAWFQIK-HXUWFJFHSA-N 470.593 2.810 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1722627226 JRPFLJHHTRRSEY-HXUWFJFHSA-N 458.994 2.798 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722683473 PZTUMOKLBMKOQS-UHFFFAOYSA-N 465.371 2.679 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722693834 BKMJSWSNUROWEE-HXUWFJFHSA-N 495.672 2.582 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722694990 OOSLRKCKQPVUIR-UHFFFAOYSA-N 475.597 2.738 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@](C)(OC)C1 1722703184 XAIPRFRSFFEKPO-NRFANRHFSA-N 478.391 2.927 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNS(C)(=O)=O)C1 1722714570 KZJUUHPYGUXEAQ-QGZVFWFLSA-N 465.645 2.606 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCc2c(ccnc2N(C)C)C1 1722725667 QQVUEUJEEHLCPD-UHFFFAOYSA-N 482.610 2.578 30 10 JFEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N(C)C1CCCCC1 1723186177 GJDNHEFNIZRLFF-UHFFFAOYSA-N 450.591 2.786 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCOc2cccc(C(F)(F)F)n2)c1 1731180390 HZUHFHMLULDQEB-UHFFFAOYSA-N 492.483 2.544 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1740553676 TZFWQIANYJNEQQ-IRXDYDNUSA-N 460.600 2.633 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC(=O)N1CCOCC1 1740558501 WDHJZVOCGFZKML-IBGZPJMESA-N 453.587 2.861 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740623999 BVLGDJITKIKQAL-JOCHJYFZSA-N 475.634 2.754 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740652124 SGALQNNREKOZPV-UHFFFAOYSA-N 456.594 2.752 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC[C@H]1CC 1740669229 RTCRHZTUDGQRGC-LJQANCHMSA-N 457.648 2.962 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(OC)CCOC1 1740681425 LERYFCGELQJEGM-NRFANRHFSA-N 479.375 2.608 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1sccc1Br 1740687936 OJRUBLJVMJFNIE-YOEHRIQHSA-N 469.405 2.960 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CCC2)CC1 1740701758 PAKYJISDUJGJFM-UHFFFAOYSA-N 490.377 2.728 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1740706989 KVFDCGBUYKDYAK-IZZQQSIFSA-N 470.643 2.803 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740717739 ZQXGARHJKCDGCC-SJORKVTESA-N 479.697 2.950 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)NC)CC1 1740768355 VVHDWTMERTXMKA-WMZHIEFXSA-N 484.601 2.698 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1740774142 MXCQBZGQAUUMKK-GOSISDBHSA-N 464.611 2.761 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCCC1 1740913671 GHVCMCISJNEFFJ-UHFFFAOYSA-N 461.570 2.624 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1740934923 VTPNUKJHFQEGLA-PLTNMMHCSA-N 478.684 2.963 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740951959 QSQAHOOQUXKOJA-XLIONFOSSA-N 496.591 2.984 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCCCC1 1740990374 SKEHGKJUZLKDJL-UHFFFAOYSA-N 470.599 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1740990532 BUWZQWNLLHXZOD-ZWKOTPCHSA-N 480.635 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30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC(F)(F)CO2)n1 1690109340 OGSREDBCCMQCOM-SFHVURJKSA-N 460.485 2.753 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1690132116 IBUXKSCCPOPAPQ-NLFFAJNJSA-N 483.686 2.535 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cccnc2OCC(F)F)CC1 1690133862 WQYWKDUEJXGOAI-UHFFFAOYSA-N 486.498 2.839 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCc2csc(C)n2)CC1 1690150308 CGOMMDKNAFCUCO-UHFFFAOYSA-N 478.622 2.873 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ncccc2C)CC1 1690152572 PSERGBNBVDDWDZ-UHFFFAOYSA-N 474.565 2.583 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1690234875 PQTPIJPTTYWEFX-NNWRFLSQSA-N 486.661 2.872 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690361385 RDBDVAZTATWHKX-UWJYYQICSA-N 493.967 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1690724669 UCNNEDBXUDIKIM-UHFFFAOYSA-N 473.643 2.867 30 10 JFEE 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498.447 2.806 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1740987613 KCSQXSZOHNXQET-IRXDYDNUSA-N 466.629 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cscn2)CC1 1740989437 MWJWGDZBKFSVFP-UHFFFAOYSA-N 493.058 2.978 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1741005450 JMLPSMDPZJDFDG-UHFFFAOYSA-N 481.626 2.727 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1741136467 AABTVDLKBWSSSX-IAGOWNOFSA-N 467.599 2.584 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 1741648808 FGVOHCUDDPYIEA-UHFFFAOYSA-N 451.453 2.541 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1741876485 FKVXSNCBWDKKTH-OFNKIYASSA-N 493.656 2.916 30 10 JFEE Cc1cc(C)cc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1742102647 BMYBRGLVGFQBAC-HXUWFJFHSA-N 487.612 2.653 30 10 JFEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCN(CC)S(C)(=O)=O 1743786049 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2.893 30 10 JFEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1749317311 QOVZVDUYWFTUAM-SFTDATJTSA-N 460.600 2.751 30 10 JFEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1749641065 SQRGDFDJEBQRPX-UHFFFAOYSA-N 452.603 2.922 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1749684107 QEVJJIJAVCKDDZ-PZJWPPBQSA-N 460.600 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCCOC1 1749721516 MNIMLNQWLRLHDW-IBGZPJMESA-N 475.615 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1749721728 SFBPLXWNELTTAX-UHFFFAOYSA-N 451.637 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749730964 XDRQVNVEUYIDMU-IBGZPJMESA-N 498.609 2.553 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 1749883952 DQWTXPMZQVLEPN-FQEVSTJZSA-N 475.519 2.760 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1760148046 MILVGCWVPUFIDW-UHFFFAOYSA-N 455.559 2.689 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(-n2cncn2)c1 1760166330 ZKBQWKZUSWMDQE-UHFFFAOYSA-N 451.332 2.745 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760180857 MBVADDFTFNDCOP-FUHWJXTLSA-N 489.598 2.997 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1occc1C 1760212826 GFJJZYMJBXLGCW-UHFFFAOYSA-N 451.552 2.608 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC(F)(F)C1 1760244848 JCTHNZKOEXPCGY-QGZVFWFLSA-N 481.569 2.717 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1760249424 LJYQSVMESPGZBK-IBGZPJMESA-N 499.568 2.641 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)OCCCO2 1760250686 KLYABQQEMPCUDN-UHFFFAOYSA-N 453.568 2.929 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1760295294 RIVGHTXDRAKWHS-UZUQRXQVSA-N 477.631 2.572 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760307859 WRAFFVSSJYYYGL-GOSISDBHSA-N 497.463 2.819 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760310435 FDKPVEOIKIHCTK-KRWDZBQOSA-N 462.396 2.964 30 10 JFEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760348029 NFRFKJJLNPKPME-UHFFFAOYSA-N 496.656 2.712 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1760348557 BSSNTWSNTGGLDG-QFIPXVFZSA-N 453.587 2.945 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760440894 SLNYNPCPYZIMPY-CEXWTWQISA-N 474.606 2.515 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C)CC1 1760442108 GIQQBBGYJSNOMB-UHFFFAOYSA-N 452.588 2.661 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760445577 OPQAAKOJIXIZEF-UHFFFAOYSA-N 495.628 2.993 30 10 JFEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760506749 LHAZRXLLUPATGQ-ROUUACIJSA-N 450.547 2.753 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](CC)[C@@H](N3CCOCC3)C2)cc1 1760530695 UHIOMLUWMZEMHT-GGAORHGYSA-N 482.629 2.576 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1760551409 DSEPJXHBPSYYEL-NRFANRHFSA-N 497.543 2.947 30 10 JFEE CN(Cc1ccc(Br)o1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1768630071 HNEPUGBPNOGHJE-UHFFFAOYSA-N 495.341 2.962 30 10 JFEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862447614 UOGBTSSEIIWBOW-FQEVSTJZSA-N 470.909 2.949 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862741275 OIZCXOZFMQVUTB-HXUWFJFHSA-N 464.434 2.871 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C(F)(F)F)nn2CCC 1865227028 ZLXWGFSOGIAYSN-INIZCTEOSA-N 478.471 2.774 30 10 JFEE CC(C)(NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccccc1C#N 1866830816 DWZVWERBRCQYTF-MRXNPFEDSA-N 497.602 2.990 30 10 JFEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C1 1868795449 LKMSVDHLNPERIE-AABGKKOBSA-N 474.627 2.721 30 10 JFEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCC3)cc2)c([N+](=O)[O-])cc1OC 1870156922 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CC1(C)OB(c2cnccc2C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)OC1(C)C 2267481133 KNQYJCRTVWBDFV-DRMRFRMASA-N 477.370 2.958 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2267486283 OASBTJRXSQOZIV-OAHLLOKOSA-N 463.409 2.962 30 10 JFEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC=CCC23CN(C(=O)OCc2ccccc2)C3)OC1(C)C 2267515073 JBRMPIJHNNPYAJ-UHFFFAOYSA-N 478.358 2.502 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267534631 KVYOYEMXDOUHAB-FZAOIFNZSA-N 485.437 2.595 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 2267703179 RZEBEMJQILCWJT-UHFFFAOYSA-N 456.417 2.801 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2267706133 RPLCYGOJAXXZLB-WZONZLPQSA-N 474.457 2.909 30 10 JFEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267716185 JGJCLSQSXRZXAH-GJZGRUSLSA-N 486.465 2.829 30 10 JFEE COC[C@H](CC(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2268706394 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JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1595516916 LUXICECYZSOCOP-UHFFFAOYSA-N 495.559 2.515 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cccs1 1595537438 RKBPEYMGQXJIEV-UHFFFAOYSA-N 463.567 2.675 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1595555662 GSFKAEMPSAGIEL-UHFFFAOYSA-N 462.529 2.805 30 10 JFEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1610042917 AYWGFCRSZDSQCF-BGYRXZFFSA-N 479.585 2.644 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc(Cl)cc1 1611696095 BWDCZVURFKIBQD-MGPUTAFESA-N 450.996 2.914 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@H](Cc3ccccc3)C(N)=O)C[C@H]1C)C2=O 1615243340 AYAGBCGHKPVBGK-PDSQGNSUSA-N 484.936 2.850 30 10 JFEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cc1F 1619250283 CNJHYAJAHKYUNI-GOSISDBHSA-N 461.563 2.701 30 10 JFEE C=CC[C@H]1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 1620451963 SFKUSSNWPHLKHX-BKQORJHRSA-N 459.593 2.631 30 10 JFEE N#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)cc1F 1626518979 AQAZJZDEEYZWET-INIZCTEOSA-N 451.545 2.614 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)s1 1633793658 JXTPNCOZGNNORC-HXUWFJFHSA-N 457.618 2.518 30 10 JFEE C#Cc1cccc(N(CC)CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 1653762345 SPAUGHLSWJKBDN-OALUTQOASA-N 455.580 2.931 30 10 JFEE C=CCOC[C@@H](NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)C(=O)OC 1655132374 UNYIQHMJKLEHSQ-CYBMUJFWSA-N 450.460 2.851 30 10 JFEE C#CC[C@@H](CCOC)NC(=O)N(CCN1CCOCC1)Cc1sccc1Br 1687206664 XLPRJLIMDURFQI-INIZCTEOSA-N 458.422 2.783 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1689992314 JFEBJAYNHDCGDA-INIZCTEOSA-N 462.000 2.654 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690098686 RBHRKKIYEZVGKM-HXUWFJFHSA-N 476.503 2.556 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)n1 1690109453 RURRVVCLKKICOT-ACDBMABISA-N 451.575 2.960 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690146111 GCTORPPJSHTCRJ-XJUOHMSHSA-N 484.689 2.894 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2noc(CC)n2)CC1 1690148527 KCBAXTHELCOPMU-UHFFFAOYSA-N 481.988 2.676 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690253514 RIYQFFOEMMKSDI-ZDXQCDESSA-N 455.603 2.651 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1690485061 KLZUVQSJAFSXRV-SFHVURJKSA-N 453.996 2.867 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC[C@@H]1C 1690665393 BOZATGMUQHQSDH-ZDUSSCGKSA-N 466.405 2.960 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCCS2(=O)=O)C1 1690688345 TWDWNPAQTBNHNE-GOSISDBHSA-N 496.431 2.524 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCCS2(=O)=O)C1 1690691838 MLXDDHQQHCNWLN-MRXNPFEDSA-N 469.970 2.554 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cccs2)CC1 1690725514 SMFJZWAQYXXGMN-UHFFFAOYSA-N 489.642 2.993 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690726691 IWBKLFMSFQRWSR-GOSISDBHSA-N 478.619 2.696 30 10 JFEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC)C2)cn1 1695616045 DOLJTGCRPNGFLF-JOCHJYFZSA-N 461.570 2.958 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC)nc1OC 1705506375 WUHFXPZNAYIKAQ-NXHRZFHOSA-N 470.574 2.967 30 10 JFEE C#CCCCn1c(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1705539335 PAFGBDQCOQXMQH-NBGIEHNGSA-N 466.586 2.902 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N2CCCCCC2)CC1 1705634181 MIGJVXBYXIFWLH-UHFFFAOYSA-N 480.613 2.510 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CCCC2)CC1 1705642569 YHIPMJAXWBSYGM-UHFFFAOYSA-N 474.403 2.680 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1705668615 QAUOEEXQYQKRRC-MGPUTAFESA-N 451.980 2.613 30 10 JFEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1705689841 AUTNJBOVHJGOTK-QGZVFWFLSA-N 473.375 2.600 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705814208 HIBPXABJFSXOFR-SFHVURJKSA-N 458.544 2.584 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1705883939 AOIPMMSVZGQTGB-ZIFCJYIRSA-N 460.600 2.752 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1705900459 DXNMPZHOUNNPCP-UHFFFAOYSA-N 454.966 2.715 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@@H]2COCCO2)C1 1705927544 AMVMDEAVZKCYNN-IYWMVGAKSA-N 477.606 2.636 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705929139 ZZAIQBVGKPSQFQ-FXAWDEMLSA-N 475.615 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1705933325 CHFWLVCZGVPATL-HNNXBMFYSA-N 482.990 2.597 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1705940265 ZLCDMCFTADLVEK-QGZVFWFLSA-N 493.703 2.724 30 10 JFEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)s1 1707499810 FHRLAGINEXDTLH-FQEVSTJZSA-N 486.623 2.537 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(OC)nc2)c2ccccc2c1=O 1710301412 CRILZTDPKSBGHH-MRXNPFEDSA-N 458.526 2.865 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2nc(C)c(C)s2)c1 1722305116 DAECUVQYDNEFBS-UHFFFAOYSA-N 477.594 2.692 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN(C)C(=O)OC(C)(C)C)c1 1722309196 KKRZYDHPTQFVHJ-UHFFFAOYSA-N 492.584 2.602 30 10 JFEE C#CCCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722338048 FUAPQSRSYBGQIV-KDURUIRLSA-N 458.607 2.909 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722339693 BLHOKUGBCKGHPJ-UHFFFAOYSA-N 492.624 2.519 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1722364558 IAEJZGVOUSUMEX-HXUWFJFHSA-N 465.019 2.964 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722365043 JZXQNCLTXGNOAQ-FQEVSTJZSA-N 475.684 2.822 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722370658 DGPCUYCJBWPOLB-GMAHTHKFSA-N 499.681 2.833 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1722372484 XTABKJCFFSTGKF-NRFANRHFSA-N 488.658 2.506 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNc2ncc(Cl)cc2Cl)CC1 1722429369 KWJMTUGEYZPQRL-UHFFFAOYSA-N 493.443 2.766 30 10 JFEE C#CCSCCn1c(N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1[C@]1(OCC)CCOC1 1722463435 BWULBEITCDNAEN-QFIPXVFZSA-N 457.556 2.768 30 10 JFEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1722463459 CUORQBCUNWPKCN-QGZVFWFLSA-N 459.641 2.908 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722482969 FUPPLMFKZLLAEF-OAHLLOKOSA-N 468.363 2.569 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1Cc1cnnn1C 1722656637 YHEZPBHAUHAUML-UHFFFAOYSA-N 473.566 2.511 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1722700414 ISEWTAMPQYMALJ-UJQZNKFNSA-N 452.584 2.501 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1722702298 MYITVASXTPEISK-UHFFFAOYSA-N 461.570 2.541 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(OC)CCOC2)C1 1722724648 BZMOQTJDHXTRBI-UAKAABGRSA-N 477.606 2.636 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)Cc2ccoc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722731406 JRBBBJNZUBASJW-HDICACEKSA-N 479.603 2.879 30 10 JFEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1728498763 DGJPAGQVCZUVPL-LJQANCHMSA-N 451.531 2.803 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC(=O)N(CCOC)C1 1740541739 GTSOKIBPLQRKDL-LSDHHAIUSA-N 478.366 2.800 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2csc(COC)n2)c1 1740564446 NBDAXMYVSNYGQX-UHFFFAOYSA-N 487.589 2.971 30 10 JFEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740577455 FBOLNGBCNDMHTR-NRFANRHFSA-N 464.570 2.750 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1740620696 XAFFAPQLRNTURM-GOSISDBHSA-N 474.974 2.549 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740624000 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2.828 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286437201 CKFAURKDUVHNIE-UHFFFAOYSA-N 480.569 2.677 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286445960 QWZITMSKZDSDSQ-IQGLISFBSA-N 470.618 2.863 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(N(C)C)CCSC1 1286460760 JGPUSJSIWRPGQT-XMMPIXPASA-N 470.643 2.671 30 10 JFEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1286507843 FULCMMIVGQEFRO-IBGZPJMESA-N 489.045 2.832 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1286518772 JRTAKWJZAZZGJK-AUSIDOKSSA-N 459.616 2.918 30 10 JFEE C=C(Br)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286547448 MOQDHCNCZRDMQL-JONQDZQNSA-N 495.422 2.672 30 10 JFEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286613311 XETHPTUGBQVRCE-JTHBVZDNSA-N 455.603 2.915 30 10 JFEE C=CCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286704890 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CCOC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084586298 VJPUGQNCFJHXED-INIZCTEOSA-N 484.586 2.625 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)[C@H](O)c3cc(OC)ccc3OC)ccc2c1=O 1154350948 ZWNKSQSDEWLHCT-RBZFPXEDSA-N 455.536 2.740 30 10 JFEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1169300843 QIVMMWQXQBFJIZ-CQSZACIVSA-N 456.351 2.635 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cccc(N2CCOCC2)n1 1286283475 VLBGSONVOOAKKM-SFHVURJKSA-N 462.554 2.700 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1286289983 NWHSYJIGTDFATP-INIZCTEOSA-N 460.542 2.882 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383265 LXQMEEJZOFOGEL-RBBKRZOGSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1286388844 BYAZDJSKUYNOMO-HXUWFJFHSA-N 492.605 2.531 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286390826 AESLGRZSQLXUOC-PMACEKPBSA-N 463.003 2.718 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)c1ncc(C)s1 1286402401 WUDDOWKKIHDYOC-INIZCTEOSA-N 453.593 2.990 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1286419948 INNWKEVPPGGLAE-SFHVURJKSA-N 458.559 2.845 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1286509412 ZTTWPQCQNRGPLP-UHFFFAOYSA-N 466.655 2.868 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286605128 SGBOKTYMRJMGJZ-IBGZPJMESA-N 470.599 2.669 30 10 JFEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1286662880 ZQUPYUVGUHWBTD-JOCHJYFZSA-N 451.619 2.609 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286783848 NRYMVZWZFNAFRE-UHFFFAOYSA-N 454.966 2.717 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)C1 1286807766 GROSYVWLZBSHAA-CVEARBPZSA-N 451.449 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286821633 RAHOYRLMFHZJQA-QGZVFWFLSA-N 455.625 2.571 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286827550 SQXDGEZMMRIBOV-QAPCUYQASA-N 459.572 2.816 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccnc2C)CC1 1286833844 QUHJDMXLYGFXSI-UHFFFAOYSA-N 456.645 2.978 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1292123667 HNPOUFLGWZFQOP-DCFHFQCYSA-N 493.656 2.941 30 10 JFEE CCC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1293820591 BZEMRDOMJRJQAX-AUSIDOKSSA-N 457.600 2.772 30 10 JFEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1299785091 BOKGPHPZSIGOGR-RTBURBONSA-N 468.602 2.842 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOc1cccc(OC)c1 1300459651 FYRGPKPKMBQHIB-UHFFFAOYSA-N 468.583 2.785 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300489541 OMURCXZPZGLDFM-REWPJTCUSA-N 480.638 2.565 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300504801 SQXIBFFQJRCIRI-QNWVGRARSA-N 472.611 2.609 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nnnn1CC1CC1 1300556427 HXHUMSIJNOVZIJ-HXUWFJFHSA-N 458.570 2.943 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)CN2CCCC2)CC1 1300706448 MSCBUAUGJZCOAJ-UHFFFAOYSA-N 450.631 2.777 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CSc3ccccc32)CC1 1300715838 FTEHXZLTBNQSSA-QUCCMNQESA-N 483.638 2.857 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1300756425 MJCVYJUHAVWBRV-PKOBYXMFSA-N 455.559 2.834 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1300816753 VBGQUVPVEKGMKR-NHCUHLMSSA-N 499.420 2.706 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300817128 BPFQEQKAWWHTRU-NHCUHLMSSA-N 481.043 2.766 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNC(C)=O)CC1 1300833717 BERSEQXUZQXSKH-UHFFFAOYSA-N 476.375 2.977 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1300871880 DKKRYFBEXKKACM-WEYGHZABSA-N 489.642 2.959 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nc(C)cs1 1301424103 HHZZDFSPKLXYJH-UHFFFAOYSA-N 454.604 2.904 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1301529967 OPVVUUJIPNCNQV-GHTZIAJQSA-N 489.642 2.754 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1301553206 GXAXIQBERKHBPR-QFIPXVFZSA-N 462.554 2.637 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301600596 FEANPLUNKPOIHW-PMSBKCLSSA-N 491.683 2.712 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1301600819 JEDLRGBQPLGAGO-SFHVURJKSA-N 478.688 2.645 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1301608907 BIJDVXLXCFUHGU-GOSISDBHSA-N 475.018 2.651 30 10 JFEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1311095388 DTGQILCXAKWWKU-UHFFFAOYSA-N 457.531 2.986 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCCO1 1313107132 FPOFNZZSTYTBIT-FQEVSTJZSA-N 457.575 2.852 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCCO1 1313107134 FPOFNZZSTYTBIT-HXUWFJFHSA-N 457.575 2.852 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O 1358888608 PIVMGFVRXMQQJE-MJGOQNOKSA-N 468.602 2.906 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCNC(=O)C2CCC2)c1 1358900141 CAWMEVXGGHIFKW-UHFFFAOYSA-N 450.587 2.938 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1358912909 AVXMHEKLEPDANV-YADHBBJMSA-N 471.627 2.717 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1358960485 FSCTWLZVGCMJBL-SFHVURJKSA-N 455.584 2.870 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358980342 RUMYRPVGVSARHR-FQEVSTJZSA-N 458.545 2.582 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)N[C@H](C)CC)CC1 1359034417 PZRIZFDLWAAUKD-LJQANCHMSA-N 461.570 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2C)CC1 1359047146 STUFUBLVSSANSZ-QFIPXVFZSA-N 489.624 2.881 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1359082330 FUOIUYBETOQEGD-JKSUJKDBSA-N 468.302 2.994 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359102460 BIXFEPZWXUZSGA-KNKQGSTJSA-N 488.633 2.827 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359106108 XQHXHZGUCZWETI-YYDVJCTNSA-N 490.626 2.860 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359126313 MEYYVQAZOYZEQB-NRFANRHFSA-N 481.601 2.780 30 10 JFEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@](C)(O)CCOC)CC1 1359167807 VKXJOLZKSLZZIB-AREMUKBSSA-N 468.646 2.587 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1359217096 NSJMRHJNKKOALO-IBGZPJMESA-N 484.605 2.669 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359277058 AUYUVAGKHLFQNU-UYAOXDASSA-N 463.604 2.629 30 10 JFEE C=CC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CCCN1C(=O)OC(C)(C)C 1458421732 JKKGUUMCESPBRS-FQEVSTJZSA-N 457.618 2.797 30 10 JFEE C#CCN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCc2ccccc21 1473122068 NWKUFNTTWNZDLR-XMMPIXPASA-N 451.592 2.839 30 10 JFEE C=CCC1(CNC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CCCC1 1478628855 PYVRHEMENYRYGM-UHFFFAOYSA-N 450.561 2.966 30 10 JFEE CC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1493478968 BQWUKSWDMVIEDS-UHFFFAOYSA-N 487.626 2.683 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccsc2Br)CCOC1 1502727910 DRVKSCGMCGDMQY-RDTXWAMCSA-N 468.377 2.531 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1507559085 ZXVKKSDHHKTPPK-VGSWGCGISA-N 480.034 2.529 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1507616674 LSQJPUPLXVFHHL-KRWDZBQOSA-N 455.515 2.624 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507630405 YGJXCZUALJLCFQ-LJQANCHMSA-N 453.568 2.545 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507641158 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C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCS(=O)(=O)CC1 1540853195 QUMLQPKZFYVHEV-UHFFFAOYSA-N 457.600 2.814 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](COC)C2)cc1 1540879194 WAXMNMXZJHRKFG-QFIPXVFZSA-N 452.559 2.604 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C(N)=O)nc2)C1 1540896105 GOBGFRYMVOUSKB-QWFCFKBJSA-N 454.575 2.520 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2noc(C)n2)C1 1540899400 MSBQYVHCSZOCKW-KRWDZBQOSA-N 496.952 2.608 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540908310 FKHYOXKOTBZXMI-QGZVFWFLSA-N 474.505 2.534 30 10 JFEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1541102874 FGNFFGJXPPFHOK-QHCPKHFHSA-N 482.635 2.889 30 10 JFEE C[C@](O)(Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1541958304 CRXCDOQXCAFUTJ-XLIONFOSSA-N 462.348 2.509 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](CN(CC)CC(F)(F)F)C2)ccc1F 1545292756 STHVIJHXBSGDKF-CQSZACIVSA-N 451.486 2.636 30 10 JFEE 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10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1595777995 UIXUNEUPZXFEGO-YLJYHZDGSA-N 476.599 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1595784595 JGVGFEAPBWOORK-UHFFFAOYSA-N 496.637 2.625 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595789627 YNOCXOHQFCXNDA-SFHVURJKSA-N 484.626 2.720 30 10 JFEE CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)NC(=O)OC(C)(C)C 1598285798 BUOFBSHFHDSUOQ-RBUKOAKNSA-N 494.662 2.860 30 10 JFEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1)N(C)C 1603233302 DVBHNYDPVBXLKH-RTWAWAEBSA-N 465.602 2.516 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1608473262 CUSNDUISNVUDOY-RUZDIDTESA-N 463.586 2.717 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1613100722 CRZJYGZEOPMWAZ-VAXXYWNWSA-N 488.658 2.722 30 10 JFEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CC1 1618922355 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C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1539939480 HDYAZECSSJGRNV-VURPSTOHSA-N 494.683 2.798 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1)C(C)C 1540147984 QMIWMIZZPGXXJP-LJQANCHMSA-N 490.450 2.681 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1540873192 QMRPJLPIEZOLFL-UHFFFAOYSA-N 474.491 2.623 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2OC)C1 1540882807 ONOXELIBXXDQLV-HMXCVIKNSA-N 490.004 2.694 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1545811999 GTPZNIFBSNZTPA-FXAWDEMLSA-N 464.574 2.689 30 10 JFEE CCCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1547217298 DDMDNWZPIBVUBD-VWLOTQADSA-N 463.586 2.719 30 10 JFEE CCn1ccc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@H]2C(N)=O)n1 1548380316 VWGSYAGNJUKFGY-IBGZPJMESA-N 474.487 2.780 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 1563640048 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479.379 2.657 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690250426 HKMPVAGBEUAEIM-XUEUYAKLSA-N 485.551 2.911 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690250725 KRQAXPWBCNIVNN-PGRDOPGGSA-N 454.531 2.926 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1690309691 HRWZHGUFGACSKH-UHFFFAOYSA-N 465.602 2.563 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOCC)CCC2)CC1 1690411798 VBCCDNGZJVLBAH-FQEVSTJZSA-N 481.663 2.610 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(OCCCOC)CC1 1690630106 UJEVEIWJTPSLNI-UHFFFAOYSA-N 462.620 2.755 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnc(C)s2)C1 1690688460 VSKPLYIZUWZZRH-SFHVURJKSA-N 488.639 2.790 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CO)CC1 1690717786 QUYPULADXAMZJR-MRXNPFEDSA-N 464.657 2.941 30 10 JFEE C[C@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 1693844936 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C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(F)(F)CC2)n1 1722429603 OPMUJAAIZABYBR-LJQANCHMSA-N 475.544 2.537 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](CC)N2CCCC2)CC1 1722450524 LKZMOJJYGBKIML-NRFANRHFSA-N 482.604 2.836 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722480955 WGDYQAPIJGLJMY-INIZCTEOSA-N 486.168 2.975 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722494603 QLDFPISCJNDLDA-KLZNWCGWSA-N 452.397 2.820 30 10 JFEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC(C)(C)C)CC1 1722563454 LTDSDANLTPYOFX-UHFFFAOYSA-N 459.620 2.699 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722592729 ZFJCOHBFFMKXBN-DEOSSOPVSA-N 451.575 2.681 30 10 JFEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722627915 STNKPSVOTBJHEP-NTKDMRAZSA-N 453.543 2.706 30 10 JFEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(C)(=O)=O)C1CC1 1722646072 HBNYTYWTRCWBJJ-UHFFFAOYSA-N 454.394 2.720 30 10 JFEE 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2.697 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2ccnn2)CC1 1740870415 NAWSMDYRBQPXAB-UHFFFAOYSA-N 455.588 2.823 30 10 JFEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1740946085 OASLABGATGHKIW-GOSISDBHSA-N 451.575 2.579 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740968394 AOLXHQJROHGAFG-UHFFFAOYSA-N 482.610 2.733 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740991973 JPDPZKZTFAHNBA-UHFFFAOYSA-N 469.652 2.772 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 1740992209 MXSWYTLZTRXIJD-RTBURBONSA-N 473.647 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1740992841 OMBBZZQDOJUKJA-UHFFFAOYSA-N 462.616 2.872 30 10 JFEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C 1746621951 IDWBTRIXSGRHJZ-FCHUYYIVSA-N 454.575 2.609 30 10 JFEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CCOC)C(=O)C1 1748706318 HMIILHGYUBTZLF-UHFFFAOYSA-N 478.366 2.945 30 10 JFEE 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30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCN(C)CC(F)(F)F)c1 1760124864 CFXIXTWISASCTN-UHFFFAOYSA-N 459.476 2.824 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760152484 NQSJUKHAMGXQDL-MOPGFXCFSA-N 464.570 2.889 30 10 JFEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760160303 CPTDHXCLUQASPF-OAQYLSRUSA-N 464.618 2.608 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC1(CS(C)(=O)=O)CC1 1760223706 JBPJLHMWNXJALQ-UHFFFAOYSA-N 454.596 2.762 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1760254783 KUPDUTAQDVNECH-IEBWSBKVSA-N 457.550 2.864 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ncccc2N(C)C)CC1 1760260790 DXZHLVBUHFODAZ-UHFFFAOYSA-N 459.598 2.738 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1760295168 OPGPUHMAVXQLEQ-YCRPNKLZSA-N 452.502 2.832 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCCC)CC1 1760316816 XJICZUDAMZFHLP-ZRNYENFQSA-N 469.652 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C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689984889 XQDIBZLKLSGFGN-YYWHXJBOSA-N 455.584 2.505 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(-n2ccnc2C)nc1 1690008483 HQLZRQFVTTUWRE-UHFFFAOYSA-N 467.533 2.973 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCCCC1 1690017841 NHOMGFAIMSOXFD-UHFFFAOYSA-N 460.630 2.789 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1690021288 OATFCMAVXUDBSK-HXUWFJFHSA-N 458.541 2.749 30 10 JFEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1690100765 AQKRRQZPQAGCPO-UHFFFAOYSA-N 480.569 2.806 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@](C)(O)CCOC)CC1 1690113494 LDWHYYKSLPMXJW-RUZDIDTESA-N 480.638 2.920 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@](C)(O)C(C)C)CC1 1690141710 ANZWRAKHFHOEOL-AREMUKBSSA-N 475.597 2.504 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1690141747 BPBDFGABEDXROF-RUZDIDTESA-N 478.984 2.867 30 10 JFEE 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C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1301529019 GOFWBMHWSLYBDM-PZJWPPBQSA-N 488.658 2.566 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1301542370 NEJMEAOMUXHXOF-AEFFLSMTSA-N 496.033 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301592832 DFNYBBHYWBOFBZ-ZWKOTPCHSA-N 481.018 2.974 30 10 JFEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301611002 BVJBQALVNATRBE-QHCPKHFHSA-N 490.580 2.881 30 10 JFEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)NC(=O)OC(C)(C)C 1302336069 GFWNMINUUYNNBK-SFHVURJKSA-N 481.557 2.761 30 10 JFEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 1303302106 BURJBAQQDXZALA-YADHBBJMSA-N 499.685 2.703 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 1307571080 AGEXQFHKJOPNSL-UHFFFAOYSA-N 452.580 2.691 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1358951688 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C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1359001773 CUDFAZSNGLOCLY-HNNXBMFYSA-N 451.390 2.992 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOc2ccccc21 1359018993 HROGJEGQGZINIC-CPJSRVTESA-N 454.571 2.971 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1359035370 RQUACXCDKBXBGI-IBGZPJMESA-N 454.541 2.549 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCNC(=O)C(C)C)CC1 1359041777 IKPUJZKGHJIYLA-GOSISDBHSA-N 496.681 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)ccc2OC)CC1 1359043660 CLSBUELTGFGNBT-UHFFFAOYSA-N 462.529 2.810 30 10 JFEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1359061577 GRPSEUXZDFEYCR-UHFFFAOYSA-N 480.059 2.885 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)CCC)cc1 1359063788 DHBNRZVHQNSRBR-UZUQRXQVSA-N 472.615 2.667 30 10 JFEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359087002 PPTGAVZYVJYPPH-MJGOQNOKSA-N 474.403 2.943 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1359121990 RFRGJYKZMBFDKX-AWEZNQCLSA-N 458.510 2.813 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1359140479 CJNVFKIHECXJGH-OAHLLOKOSA-N 450.975 2.558 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1359189955 ZEPCVACSRYQCJO-UXHICEINSA-N 481.663 2.609 30 10 JFEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccccc1 1359196085 XCKXSASSVXRUNQ-RTWAWAEBSA-N 450.587 2.723 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CCN1CCN(C(C)=O)CC1 1359253968 AJEGFULPKIONHG-UHFFFAOYSA-N 477.613 2.649 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1CCS(C)(=O)=O 1359257100 ZEXUMBHCBMNTEC-UHFFFAOYSA-N 456.597 2.743 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1359263442 BIBXLDSKAWRKOE-INIZCTEOSA-N 465.645 2.597 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)Br 1359281162 QBCRSQDEEDBRDX-UHFFFAOYSA-N 483.317 2.819 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1Cc2cccc(Br)c2C1 1359293278 LUMLIIXVHBEZLY-AWEZNQCLSA-N 464.364 2.587 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359295067 OTPWCAJUBOGXLW-SFHVURJKSA-N 489.418 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1359330175 JKPNHPAGVGBLDM-HXUWFJFHSA-N 468.627 2.975 30 10 JFEE C=C[C@H](CO)NC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 1453937095 YSMFKPFDVASAHV-GOSISDBHSA-N 450.535 2.985 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cc1 1465258544 WNIBDBXWJVVUOM-UHFFFAOYSA-N 458.588 2.690 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)s1 1466509798 KXGMKZMUFCCNQJ-LSDHHAIUSA-N 457.618 2.517 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOc3ccc(Br)cc3C2)c1 1475234372 JNULEILXVWRKBC-UHFFFAOYSA-N 451.342 2.948 30 10 JFEE Cc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1 1492294039 GMRSAJFKUJTSCM-JBYIUTFZSA-N 460.604 2.794 30 10 JFEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1499923845 FQPCBRPFNKLANV-QFIPXVFZSA-N 493.656 2.796 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507630252 VRZDUPNIIWFRDK-IIBYNOLFSA-N 478.578 2.852 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1507640788 WCAVTTZMYRMZKD-QGZVFWFLSA-N 452.527 2.572 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCN(c2ccncc2)CC1 1507646671 WXCFJRDQKKCXIE-UHFFFAOYSA-N 469.593 2.634 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(Cl)c(OC)c(OC)c1 1507659375 SXQLBXFDESSSJE-PXNSSMCTSA-N 458.946 2.794 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1507677257 XABPYQYMYAHJOH-RUZDIDTESA-N 483.613 2.667 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1507699422 GPJYZGHCUGJKOY-SFHVURJKSA-N 477.606 2.753 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCN(C(=O)OC)CC1 1507704006 LZUHYPWRAIFXLK-UHFFFAOYSA-N 479.379 2.600 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCC(C)C)CC1 1507738095 JNUJBTUEVXZHNF-UHFFFAOYSA-N 473.581 2.784 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCC[C@H]2C)CC1 1507741361 QJLXCQRCAZPCCS-NFQMXDRXSA-N 495.624 2.773 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1507795248 HMVNASXFVMNUEC-VGSWGCGISA-N 490.626 2.957 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N2CCNC2=O)CC1 1507839876 VZHSCYSDYLAEJV-UHFFFAOYSA-N 478.395 2.622 30 10 JFEE C=Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)CC(=C)C)cc1 1507895395 WYORWIOUXXQKMA-NRFANRHFSA-N 459.616 2.899 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507912241 PLZQCTVUNPTIBX-HSZRJFAPSA-N 473.599 2.982 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1508091694 NSGRLLPEAGKODI-GOSISDBHSA-N 468.631 2.845 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1508095474 PRZLAMRMZFFBJC-IBGZPJMESA-N 484.601 2.695 30 10 JFEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508106462 YFTFBRLZTNLBAE-RUZDIDTESA-N 466.586 2.904 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)N(C)C)C1 1508125920 GQTHQTXHRMTVSF-ROUUACIJSA-N 462.595 2.610 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1508143009 WAKGPRNAHNWDEG-RBUKOAKNSA-N 476.574 2.621 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1513766421 BUPBIVZTFFLPKC-GFCCVEGCSA-N 492.403 2.851 30 10 JFEE COC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1517723530 CSCZQMQFRJUUOP-VGOFRKELSA-N 472.571 2.537 30 10 JFEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cs1 1518826131 GIEYIAMQFNKBEE-LSDHHAIUSA-N 474.612 2.726 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2Cc2cnn(CCOC)c2)c1 1539042860 KGDXHPXVMZBTQV-UHFFFAOYSA-N 461.570 2.883 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc2c(n1)CCCC2 1539246095 OGSYLGGSVBBIBH-UHFFFAOYSA-N 459.575 2.744 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@H](C)N(C)C)CC1 1539470041 XMWOIWDIYXUJAW-IBGZPJMESA-N 459.598 2.718 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1539484222 HSDGSJJVGHOABG-UHFFFAOYSA-N 498.653 2.763 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCC=C)C1 1539518418 ZOGSGASWJWAXNK-RTBURBONSA-N 477.631 2.734 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1539593831 AMEQYIDXNBOLGE-INIZCTEOSA-N 465.396 2.509 30 10 JFEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)(=O)CC1 1539607408 FKOAOCNWBZPAHD-UHFFFAOYSA-N 455.378 2.617 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NC)CC1 1539637329 PIZVRJFBVIBGCL-KKSFZXQISA-N 460.529 2.590 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539760248 ZKMUFPSHSKGXMT-VWLOTQADSA-N 481.601 2.505 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540854757 BRUPTAMOBGGQJY-LJQANCHMSA-N 467.389 2.917 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1540874920 WDTNBHZITUANRL-UHFFFAOYSA-N 484.004 2.583 30 10 JFEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540912184 OYSMBEDVGBNHOR-QZTJIDSGSA-N 457.600 2.986 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCO[C@@H](C)C1 1541109510 GZZZHMYTSQDSEY-MOPGFXCFSA-N 454.575 2.813 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C)C2)C1 1541570263 BSDMKPYTYUGAPU-MZKRTTBSSA-N 468.602 2.699 30 10 JFEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)Cc4cccnc4)CC3)C2)cc1C(F)(F)F 1548397145 YCPYUJFQMHTYCW-LEWJYISDSA-N 485.510 2.991 30 10 JFEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccsc2)N(C)C)cc1 1554978604 APGZFBZRVIUPFS-NHCUHLMSSA-N 468.583 2.959 30 10 JFEE Cc1nc(-c2cc(NC(=O)N(CCC#N)CCN3CCOCC3)cc(C(F)(F)F)c2)n[nH]1 1562979216 DADRGKQZOIRBFH-UHFFFAOYSA-N 451.453 2.879 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(Cc2ccccc2)CC1 1587927259 ZYCMGHKZLCHQJR-UHFFFAOYSA-N 482.430 2.923 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588049263 DBQPSHGVINQSPH-RTBURBONSA-N 468.627 2.783 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588090206 SXYCBKFSRSVSDG-JOCHJYFZSA-N 481.544 2.552 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCC(=O)Nc1cccc(Cl)c1C 1588629115 YCNFWOXNODBHHB-UHFFFAOYSA-N 455.950 2.755 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCO[C@@H]2CCOC2)CC1 1588751369 JWQKTIHJAPNEJX-WOJBJXKFSA-N 457.550 2.508 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1589124714 BDGFFBRWGGTLQP-KRWDZBQOSA-N 485.676 2.587 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1589134081 DIUDAIWXDVUESL-GUDVDZBRSA-N 468.689 2.967 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1589259773 QQIUYVWMKNHYNQ-IEGUWTFLSA-N 491.658 2.866 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1593735651 OHHBVQFKYPMLJR-UHFFFAOYSA-N 469.565 2.741 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1593825572 AHGAMUULPRYCTN-UHFFFAOYSA-N 484.022 2.965 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1594193542 REKVECBSNATJRD-IAGOWNOFSA-N 484.667 2.936 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1594521811 SVWFMYMPXGZGFC-QFIPXVFZSA-N 454.667 2.958 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1594720376 KMJNUZSRTBEOMK-SFHVURJKSA-N 452.559 2.788 30 10 JFEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1594839695 QREPCYFFVPZWFY-WDSOQIARSA-N 476.622 2.843 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCO[C@H]1C 1595141331 FFZIIOHSNHQNCL-JBIZMDSKSA-N 460.550 2.874 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCO[C@@H]1C 1595239804 SVJUACYTWAHCAB-PXDATVDWSA-N 450.587 2.915 30 10 JFEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1595377198 NPNMVDXHGQCUPL-MRXNPFEDSA-N 453.996 2.661 30 10 JFEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCCCO4)n3CC(=O)NCC(F)(F)F)CCO2)c1 1620348868 APTYRFSZEGAVPO-ZWKOTPCHSA-N 478.475 2.648 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c(ncn3-c3ccc(C)cc3)C2)ccc1F 1626695326 UASGMQCCRYMDRS-UHFFFAOYSA-N 454.527 2.983 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)ccc1F 1628330818 NDSBLEYEYHNIGH-OAQYLSRUSA-N 455.552 2.713 30 10 JFEE C=CCN(CCc1ccco1)C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1631674662 HVDJRGKDEZFZCN-UHFFFAOYSA-N 456.568 2.919 30 10 JFEE C#CC[C@]1(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)CCCN1C(=O)OC(C)(C)C 1632381498 NQXGRAHVMGKROG-AREMUKBSSA-N 454.615 2.843 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 1635432105 DWRGRTKLXCOLDE-BEFAXECRSA-N 462.300 2.845 30 10 JFEE N#Cc1ccc(CNC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 1642228888 IFLQOKOQCWQSRN-KRWDZBQOSA-N 456.344 2.683 30 10 JFEE C=CCn1c(S[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)nnc1-c1cccc(OC)c1 1652701710 YMZSAMRWDSKHQD-IEBWSBKVSA-N 457.600 2.980 30 10 JFEE C#CCN1CCC(NC(=O)N[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1685013081 HEZCDHOTJOJRMJ-QHCPKHFHSA-N 455.580 2.585 30 10 JFEE C=CC[C@@H](CC)NC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1686285083 NSQQMRKWSYCNNC-QGZVFWFLSA-N 458.422 2.905 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1689873507 LRBPMZSUKYTAHS-UHFFFAOYSA-N 481.597 2.949 30 10 JFEE C#CCCCn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OC(C)C)CCOC1 1689940189 PUGADJGYHYTKGO-MBSDFSHPSA-N 475.615 2.577 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689940858 FMSMYLOIGDIPLR-RUZDIDTESA-N 457.619 2.961 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689982607 QQMWNUUKFYSDNK-DHIUTWEWSA-N 480.638 2.564 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC1(C(N)=O)CCCC1 1690005198 VIFPEFJAGNSOFR-UHFFFAOYSA-N 458.335 2.965 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1690125136 BOYJCSBNRKZPIL-UHFFFAOYSA-N 471.049 2.513 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCOCCS(C)(=O)=O 1690194879 BHIRZNRLXKHDQC-HXUWFJFHSA-N 499.406 2.900 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCS(C)(=O)=O 1690236243 KEOLCRIKZBVLDI-AZUAARDMSA-N 475.615 2.609 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690245218 FSCCNYNPAIMOFZ-RRPUWOKSSA-N 458.651 2.954 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(OC)C1 1690302360 BZWZLFGZGGTSBA-QHCPKHFHSA-N 477.631 2.793 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCCNC2=O)CC1 1690306524 WONMXOVFLHDSDB-UHFFFAOYSA-N 459.982 2.970 30 10 JFEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1690414528 AESYQTOMWQLIAL-FQEVSTJZSA-N 459.616 2.584 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690421020 WCSSBCOAPFIEMF-NVXWUHKLSA-N 465.624 2.641 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1690512172 OTOJRLFJGJXKKN-QUCCMNQESA-N 476.622 3.000 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690681019 CTQIPSQZVIHGBB-HXUWFJFHSA-N 480.613 2.820 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCn2cncn2)C1 1690689610 IAKIMHQQRXRLIE-CYBMUJFWSA-N 450.366 2.842 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1690710367 RIVKZBWRNBUGQC-OALUTQOASA-N 450.509 2.929 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690740191 MFFXFYIMKTZJCC-UHFFFAOYSA-N 471.675 2.774 30 10 JFEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690749568 IHDWJQSVZSIOGT-UHFFFAOYSA-N 460.673 2.594 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CC(F)(F)CNC(=O)OC(C)(C)C)n1 1693414186 AOFNIYIIKLAUOI-CQSZACIVSA-N 466.537 2.896 30 10 JFEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)C(C)C 1695761628 BKACVSZAWMPINY-AREMUKBSSA-N 492.628 2.945 30 10 JFEE COC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697094110 BGHXFUJWGRNURX-LJQANCHMSA-N 460.586 2.865 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@]2(N(C)C)CCSC2)c1 1705505677 RGRPAFSUHYQDBU-RUZDIDTESA-N 477.638 2.777 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N2CCCNC2=O)CC1 1705530961 SXKGOOGIPKWQHK-UHFFFAOYSA-N 452.559 2.760 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1705559274 WDLFKXRSBYCZDI-GOSISDBHSA-N 478.018 2.525 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1705568164 IRUYNGXKGCWAQQ-HXUWFJFHSA-N 468.579 2.784 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1705573510 IAOKFRSZQRNRKC-WOJBJXKFSA-N 470.595 2.714 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ncc(CC)s1 1705593173 IPQOYSKFSSIZLE-UHFFFAOYSA-N 457.567 2.645 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC(F)F 1705606884 JLOVWJPPYGYRIO-UHFFFAOYSA-N 456.291 2.557 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CC[S@](=O)CC)CC1 1705646848 PWOLQUQIBKJFTE-GDLZYMKVSA-N 498.472 2.504 30 10 JFEE C=C(Br)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705692717 QQMYKPLKTGIROH-HXUWFJFHSA-N 470.412 2.580 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705717767 RHTQFYGVYYXAPN-HNNXBMFYSA-N 477.578 2.743 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705805782 OCPDOHQHHKGTAW-HXUWFJFHSA-N 471.627 2.935 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705829260 LPHIGGJCICOYEZ-QGZVFWFLSA-N 465.558 2.682 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)cccc1OC 1705884319 LQVNXDNLIGBKFZ-HNNXBMFYSA-N 454.980 2.529 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1705902634 IUIGALQWDXKFJF-IBGZPJMESA-N 454.575 2.822 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1705911782 QGACPFXDKHBFKG-VQTJNVASSA-N 460.600 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705938242 RWRGSHKCMMKZMK-IAGOWNOFSA-N 452.552 2.601 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)c1 1707332113 GAEYSNJYVLRDFV-UHFFFAOYSA-N 460.604 2.542 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1708356719 CCWGSVMVHQHNIE-OYRDERLMSA-N 481.601 2.566 30 10 JFEE CCO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCC1 1710406907 GLECWDCQLBHNCH-WAOWUJCRSA-N 453.584 2.608 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1711073781 HVSVYRNFEZROQR-UHFFFAOYSA-N 498.634 2.602 30 10 JFEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1712020125 AQBAUCPNIRIMOZ-HSALFYBXSA-N 486.642 2.807 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)(F)C(F)F 1722293397 MLBKOALXCXBABU-CYBMUJFWSA-N 466.439 2.567 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1NC(=O)CC1(C)C 1722298495 CZEDEHMCTHXAPO-RHSMWYFYSA-N 460.376 2.992 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1722332947 QFHZUEQOEZHHNT-WRURNZQNSA-N 491.658 2.960 30 10 JFEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722337838 IWTWSZGMPBDISD-UHFFFAOYSA-N 458.570 2.819 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCS(=O)(=O)N(C)C 1722344310 IHNMLBMWSROODL-INIZCTEOSA-N 453.996 2.649 30 10 JFEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722369745 FULDVTYKJSOEMD-FQEVSTJZSA-N 488.654 2.942 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC(C)(C)C 1722394923 KNPSCKPFLKTSPU-UHFFFAOYSA-N 459.392 2.814 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@](C)(O)C(C)C)CC1 1722445689 AOHUKHXXPXOFPW-AREMUKBSSA-N 462.598 2.810 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1722449389 QSTZAMQWZIGKLH-XMMPIXPASA-N 489.599 2.672 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1722483513 ASHGMZXAZPFMIQ-AWEZNQCLSA-N 451.321 2.870 30 10 JFEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722488791 LSSIGSDAIQIRBE-FUHWJXTLSA-N 477.407 2.540 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722614534 QLAPMLNWGQXNPQ-SFHVURJKSA-N 463.586 2.901 30 10 JFEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722624255 YGVYZNQOTONNKC-FQEVSTJZSA-N 470.618 2.962 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1722728240 SZWZWBVQKIXJNJ-AWEZNQCLSA-N 462.526 2.681 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1728368244 BCXBKXQVWKCJLV-UGKGYDQZSA-N 465.602 2.580 30 10 JFEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncnn2C(C)(C)C)cc1 1730194848 CQWYHWDZCMSFMM-JOCHJYFZSA-N 454.510 2.702 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCc2cccnc2)c1 1740564854 ZXWLLRYRTYIVAM-UHFFFAOYSA-N 451.534 2.958 30 10 JFEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1740565754 GOYMVGSFEHTCBD-DEOSSOPVSA-N 456.543 2.770 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740617666 VCBBDQSZMKINMC-BBNRHVKASA-N 470.639 2.998 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740628030 MQHICDQXQLTFPY-NRFANRHFSA-N 483.569 2.629 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=C)Br 1740643492 NFIIOYYXKOIBHG-UHFFFAOYSA-N 467.415 2.624 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C)CCOCC2)CC1 1740699092 ZYLYJMCSMOCTPZ-UHFFFAOYSA-N 469.586 2.543 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](COC)OC)CC1 1740700151 HNOQWRZONHBLDU-SFHVURJKSA-N 450.008 2.640 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCCO)CC1 1740702116 WERACBNXUSBEPE-UHFFFAOYSA-N 492.393 2.975 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1740709481 GXHHFYDGWHPEHI-UHFFFAOYSA-N 459.572 2.674 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1740719552 GUFNCHCSGBSRTD-HXUWFJFHSA-N 451.600 2.908 30 10 JFEE 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494.687 2.854 30 10 JFEE N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 1307571402 HXYGVGNICMYHOV-SJLPKXTDSA-N 459.344 2.806 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1313963056 FGQUEQCIWPSZFD-MRXNPFEDSA-N 450.465 2.747 30 10 JFEE CCS(=O)(=O)CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1314528730 CRUQVBQMURGHMN-FQEVSTJZSA-N 461.588 2.533 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358957936 DCNZUNQVRNFXCE-NRFANRHFSA-N 473.643 2.699 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1358962684 UTHVRMDWQBERCK-NRFANRHFSA-N 479.606 2.917 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCOC[C@H]1OC 1358971895 MLIJZFMNXISIKS-OXJNMPFZSA-N 473.371 2.841 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NCC2CC2)CC1 1359030192 QFODAFYYJLJSDP-LJQANCHMSA-N 485.032 2.970 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCCN2CCC[C@H]2CO)CC1 1359032306 KACNCJJSOGTBRQ-NRFANRHFSA-N 487.048 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C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1507769342 CDGNEQFLFJSWSF-XMMPIXPASA-N 451.571 2.748 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1507774428 DYMKCHBCFKLITD-UHFFFAOYSA-N 478.376 2.769 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1507792478 YNVHGSZEOFQLGH-UGKGYDQZSA-N 466.586 2.559 30 10 JFEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507819964 XMEZYKYESNCHTA-QHCPKHFHSA-N 465.595 2.626 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507828398 BSQLQVIEZGVTRN-UHFFFAOYSA-N 468.602 2.718 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1507917900 XJXIRHFKACHPTH-OSPHWJPCSA-N 476.622 2.891 30 10 JFEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507965973 SXNBGJFZDWPNEZ-UHFFFAOYSA-N 465.602 2.804 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1507989210 XXHROCMXCHLSMN-UHFFFAOYSA-N 478.640 2.861 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1Cc1ccc(C(N)=O)nc1 1507998852 JMROTPRQVFUFKZ-UHFFFAOYSA-N 464.533 2.870 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(F)(F)F)CC1 1508078590 ZYTOBWXEDNYXDM-UHFFFAOYSA-N 493.353 2.756 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1508078827 JXEVCLGDCQSWCY-SJLPKXTDSA-N 498.584 2.716 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC([C@H]4NC(=O)N(C)C4=O)CC3)nnc2C(C)(C)C)cc1 1508106891 YUXIMVOLEGPRPR-HXUWFJFHSA-N 466.586 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](COC)C1 1508144089 AMNUQNYWMYZOEJ-WIYYLYMNSA-N 476.599 2.644 30 10 JFEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(SC)CCN(C)CC1 1513696711 AHLZFYWUTWAZMH-FQEVSTJZSA-N 470.643 2.976 30 10 JFEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(N2CCNC2=O)cc1 1529891262 CWPZYLURYDTCIY-WMLDXEAASA-N 451.914 2.972 30 10 JFEE C#CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CCCN1C(=O)OC(C)(C)C 1531430430 DERXBRLDJRRSRT-OAQYLSRUSA-N 451.545 2.600 30 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2.520 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N 1540899142 FGYNRQGYTNECSM-CQSZACIVSA-N 452.378 2.904 30 10 JFEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1540920229 RSOCFGAMYKRNAL-QHCPKHFHSA-N 488.589 2.730 30 10 JFEE COCCNC(=O)[C@H]1CN(C(=O)c2cccc(C)c2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367734 JZIDSSMQUWCNMM-OAQYLSRUSA-N 474.483 2.979 30 10 JFEE CN(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1552794506 FSIZGOQBFSHMNL-BTYIYWSLSA-N 457.535 2.607 30 10 JFEE COCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555217626 CEYPUXDKISAHCD-GOSISDBHSA-N 461.574 2.698 30 10 JFEE Cc1nc(C#N)c(N2CCC(C(=O)N(CCO)Cc3ccc(Br)s3)CC2)o1 1556482543 HZHWMNIAEPFOLH-UHFFFAOYSA-N 453.362 2.916 30 10 JFEE C#CC[C@@H](NC(=O)c1cc(I)cc(Br)c1C)C(=O)OC 1556970983 OAIVTYKQRGTEEX-GFCCVEGCSA-N 450.070 2.657 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587556202 MEDIUXISWXTENX-CRAIPNDOSA-N 498.937 2.583 30 10 JFEE 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30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1508090822 IWXZSMVIVKAAPH-GOSISDBHSA-N 466.567 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC(=O)NC)CC1 1508135037 XAUAVVLBEMUKLQ-UHFFFAOYSA-N 471.583 2.645 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1508146966 FYWNOMUTDCKWRI-UHFFFAOYSA-N 469.615 2.826 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1N1CCCCC1 1510148400 GYSKKVWOSHAEFP-QZTJIDSGSA-N 459.620 2.665 30 10 JFEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1519653615 FZISZRGKUTZKLT-UHFFFAOYSA-N 455.632 2.605 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)Nc3nn(C)c(C)c3CNC(=O)OC(C)(C)C)cc2C1=O 1531951510 LEKINTQXCHQJEM-UHFFFAOYSA-N 453.499 2.788 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539031398 HZHHNWMZNCQWAQ-IFMALSPDSA-N 452.603 2.566 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1539044136 YQPZDQKKGDYVHA-JTHBVZDNSA-N 478.597 2.834 30 10 JFEE 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C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCNC(C)=O)C1 1540890349 DCUGMRHIPFOVFO-UXHICEINSA-N 476.622 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540905661 VHKBVSNMNHUSCP-HXOBKFHXSA-N 496.580 2.522 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1547800698 GBFQAATYJJBNKW-RUZDIDTESA-N 482.585 2.948 30 10 JFEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C(N)=O)cc1C(F)(F)F 1548367580 SUPFUTYUMGRCBT-QGZVFWFLSA-N 472.876 2.595 30 10 JFEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 1552866880 HFUWJJCSCBZEJG-NRFANRHFSA-N 491.562 2.858 30 10 JFEE COc1ncccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1555127498 CLAPRXBAROTEPV-QFIPXVFZSA-N 451.556 2.852 30 10 JFEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)c2ccccc2Br)cc1 1562623287 DANBDVHDAUBWMF-SJCJKPOMSA-N 452.330 2.990 30 10 JFEE CN(C(=O)CN1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1)C1CCCCC1 1565579020 FILLSNGWMBAWEU-UHFFFAOYSA-N 453.587 2.602 30 10 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479.647 2.866 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC[C@](C)(CC)O1 1588581629 YWNBMTPNVQEJLC-DVECYGJZSA-N 488.658 2.980 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC[S@](=O)CC 1588594553 IRCDWYJFLNOOIQ-HHHXNRCGSA-N 457.369 2.701 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589007287 KZJMVUJQARSFBE-BETUJISGSA-N 457.419 2.986 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589358154 PUPJXNHOHBEWBN-KRWDZBQOSA-N 489.374 2.629 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1589505142 LEIPCSRLGBHRGA-JTHBVZDNSA-N 483.613 2.914 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1589544486 HYAXJIPNTOHDDQ-DYXWJJEUSA-N 468.664 2.878 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1593695343 DIBCQEFLNCQMEK-CTNGQTDRSA-N 457.575 2.579 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1594127844 HHRMECNDYSKNPL-OAQYLSRUSA-N 462.392 2.843 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1594128937 ZVPGIRWWFZWPAB-UHFFFAOYSA-N 452.603 2.794 30 10 JFEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1594551869 BGHUWIRBSFHOIC-HSZRJFAPSA-N 497.669 2.971 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1595149323 NAAVGAHXPBDFER-JOCHJYFZSA-N 474.608 2.757 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1CCSC1 1595506979 SETYOWWJOSSPGD-AWEZNQCLSA-N 466.405 2.960 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 1595545497 XXHFAVJICDXNHJ-LJQANCHMSA-N 471.606 2.825 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1595723377 VOIYNLUVKOLWJW-FPOVZHCZSA-N 460.600 2.947 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCOCC2)C1 1595849917 HCBUOLXNDKYAPV-UHFFFAOYSA-N 478.640 2.654 30 10 JFEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCn2cc(Br)cn2)c1 1612247914 FKVYEENEDXPBBV-LJQANCHMSA-N 486.374 2.944 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1)S(C)(=O)=O 1615282239 AOBLBGKSACBGPO-SIKLNZKXSA-N 486.642 2.618 30 10 JFEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1616401877 BTOQJTGKXMMQCO-HKUYNNGSSA-N 473.599 2.991 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C 1618535182 HOQSNNWHVNJDHP-UZLBHIALSA-N 451.600 2.999 30 10 JFEE COc1ncccc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1619475234 HUWOEESRECCCHU-MJGOQNOKSA-N 483.573 2.573 30 10 JFEE CC(=O)N1CCN(CCOc2ccc(CCNc3cc(F)c(C#N)cc3[N+](=O)[O-])cc2)CC1 1639414757 KWELRUUIBDCYNP-UHFFFAOYSA-N 455.490 2.803 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2COC[C@H]2O)c1 1644891215 TXXIXJMCBKHHPP-WOJBJXKFSA-N 450.944 2.553 30 10 JFEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)cc1Br 1655458731 FVMPGAMNVTUOFT-NSHDSACASA-N 456.268 2.683 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)c1 1669946621 ANFPWFCLGHXIEH-SFHVURJKSA-N 458.458 2.903 30 10 JFEE C=CCSCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1680017708 RQSXHYKVQBOVSD-MSOLQXFVSA-N 454.637 2.843 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2ccnc2C)nc1 1689834979 CUCUPOUSKORJRU-KRWDZBQOSA-N 475.578 2.744 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)C(C)(C)C 1689835971 WESJVGYORCYODB-HNNXBMFYSA-N 464.588 2.642 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1689864843 JCLRAKRGKGOLDA-YLJYHZDGSA-N 481.519 2.977 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689986518 RNKCLADXVLAQBZ-FQEVSTJZSA-N 481.622 2.897 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689996531 JDOZRQUCOHUZBR-PKTZIBPZSA-N 499.681 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690008284 CLNQJSPFHJOGII-BGYRXZFFSA-N 465.598 2.923 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1nccs1 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CC(C)CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1692288682 BLPXXDYYGNPNTN-SANMLTNESA-N 495.628 2.578 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1692346548 HZIKKHMQJVTBGN-AVRDEDQJSA-N 451.637 2.888 30 10 JFEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)s1 1693446112 FTMDUBADXFFNEF-MRXNPFEDSA-N 490.515 2.724 30 10 JFEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1693630941 BLTZQRSIDGFDMF-UUOWRZLLSA-N 486.642 2.877 30 10 JFEE CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCOCC1 1698362758 DJDFWOSZJTVSFT-LJQANCHMSA-N 475.640 2.600 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705540373 XFSYRRYCEDJRKK-ROUUACIJSA-N 465.620 2.777 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(OC)ccc1OC(F)F 1705550784 XBHRQDJTWFZNBD-UHFFFAOYSA-N 490.536 2.966 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1705576630 NZNNLKNTUVKEOF-FQEVSTJZSA-N 470.595 2.781 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CC 1705627683 NLJPEBPFHVOLTR-RTWAWAEBSA-N 474.650 2.963 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2c[nH]c3cc(C)ccc23)CC1 1705635423 YNLOOXUAYDKQKO-HXUWFJFHSA-N 450.587 2.790 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnccc2OC)CC1 1705645350 QWLOCLVGJXAOOH-SFHVURJKSA-N 492.555 2.975 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705662857 NQHCWSTXHBDBHS-UHFFFAOYSA-N 462.627 2.870 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705666818 DWXACJUJHSBGMQ-ONTIZHBOSA-N 483.638 2.858 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705699776 LRDYTUHGPVXNLL-BDXSIMOUSA-N 492.564 2.709 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705787112 IEWFRXHJCPSBCL-UHFFFAOYSA-N 468.606 2.550 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1705805351 FGWQEMVRNXOQRI-KRWDZBQOSA-N 450.584 2.515 30 10 JFEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(=O)(=O)c1ccc(C)s1 1705836830 HKBHCCOGMVGMMR-UHFFFAOYSA-N 462.557 2.824 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)C(C)C 1705867497 OUPQSFSLGUQLEA-XLGIIRLISA-N 486.661 2.597 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1705886574 FXXQBSFOOMQMRG-UHFFFAOYSA-N 454.531 2.776 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)SC)C1 1705922486 NMVSCTRGMYNCND-HOTGVXAUSA-N 450.634 2.771 30 10 JFEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CCC)C(=O)C1 1705943636 GYHOVZKJYFBMIQ-UHFFFAOYSA-N 491.687 2.606 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1707802884 AEBJUXYKMNUTRM-UHFFFAOYSA-N 490.612 2.868 30 10 JFEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1708862000 BARVZRHQSKEOKN-BWKNWUBXSA-N 468.602 2.581 30 10 JFEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(=O)OC(C)(C)C 1711194804 CLFNWIJMOJDMKY-HXUWFJFHSA-N 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30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2nc(C)no2)CC1 1286470833 DHLPOYVZRROUCM-KRWDZBQOSA-N 453.522 2.637 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1286473904 UXZVKBSFVOWCTI-OAQYLSRUSA-N 466.630 2.838 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC2CCOCC2)CC1 1286498651 CSMYDODFERLGLR-UHFFFAOYSA-N 485.654 2.877 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286566344 HEGXZPIFWGTMCO-HRAATJIYSA-N 452.552 2.509 30 10 JFEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286593290 JANXBVCUWKCKGD-UHFFFAOYSA-N 457.966 2.950 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1286678650 BNQZJXWTWAMIQY-CIAFKFPVSA-N 454.571 2.892 30 10 JFEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1 1286690482 KAIPJPORVGBNHH-UHFFFAOYSA-N 456.660 2.568 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286772411 CXWANIYALOTFAS-FQEVSTJZSA-N 459.566 2.835 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](OC)C(C)C)C1 1286807735 GFNULHQMUKGHIJ-IEBWSBKVSA-N 462.620 2.691 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cc(C)ccc2OC)C1 1286808326 BHIYEEGJKKLTBQ-VQTJNVASSA-N 460.600 2.521 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286815895 BSZCYKIHXPIBJD-FQEVSTJZSA-N 496.637 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286821795 VJQHXHPZLIHENW-IBGZPJMESA-N 496.033 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1286823698 XVRDRYPFOHOADV-IBGZPJMESA-N 460.600 2.888 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCCC1 1292116877 FVQGCXRFAPKVMG-UHFFFAOYSA-N 493.660 2.666 30 10 JFEE N#CCCn1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)n1 1293772546 CXVYYTLMAHUOGW-FQEVSTJZSA-N 453.499 2.690 30 10 JFEE C#CC[C@]1(C(=O)NCCN(CCOC)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1295950448 HIXTVXJDKBYODT-HSZRJFAPSA-N 453.580 2.779 30 10 JFEE 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C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1300733599 XRMYUWUFPGEAIJ-UHFFFAOYSA-N 468.627 2.866 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1300891708 MHKGFRZZZJIPPH-KIVTUJJHSA-N 453.587 2.755 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ccc(Cl)cn1 1301289909 ULSDOSXXOLUYAJ-UHFFFAOYSA-N 451.918 2.942 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1301403936 NCUYRSLFYRRAJQ-OAQYLSRUSA-N 459.616 2.649 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301489722 ARWUXCURQVXWCY-NXHTTZLHSA-N 475.977 2.682 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 1302197913 OSNAAMGKYPOZCD-GOSISDBHSA-N 453.580 2.514 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1302223193 CQKBYHYKADOSOS-RTBURBONSA-N 465.558 2.528 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1302272366 HURATLZOLIUHBD-MOPGFXCFSA-N 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471.970 2.677 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1358967102 DLYFFUNBGWNXEP-QZTJIDSGSA-N 478.615 2.766 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1359031114 QQDIBWKHVFCBKI-UHFFFAOYSA-N 470.065 2.627 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1359037145 XFOHFBHGEWGHSW-VWLOTQADSA-N 482.648 2.900 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOC(C)(C)C1 1359052996 XQMQBNUUAXUCDN-UHFFFAOYSA-N 471.627 2.630 30 10 JFEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1359087655 MTYQUZJZVXWDMZ-LJQANCHMSA-N 453.312 2.901 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCC2)C1 1359090263 XVWQXNYJOVZBAA-KSZLIROESA-N 454.413 2.975 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359119728 LBJAMHAGKXAKMJ-GHTZIAJQSA-N 468.602 2.527 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359134396 URWUFQCYCQAUMH-UHFFFAOYSA-N 475.597 2.591 30 10 JFEE 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C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1705595766 FUBIRNNFSGFWAU-UHFFFAOYSA-N 469.505 2.517 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(=C)C 1705597470 GLURJBIKYJHRMV-FQEVSTJZSA-N 457.575 2.642 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(c2ccncc2)CC1 1705607772 PVKYLRBDQOZNIY-UHFFFAOYSA-N 454.582 2.884 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)c1ccc(C)s1 1705615158 JKNNJRGFUPKCQS-UHFFFAOYSA-N 461.588 2.816 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1705643734 QMGIHPYBJILXAV-YADARESESA-N 455.628 2.885 30 10 JFEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705886364 ONPNJZXNTFPAOD-FQEVSTJZSA-N 469.615 2.559 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](OCC=C)C1 1705896449 MZSZPDBHFUKMMQ-INIZCTEOSA-N 476.375 2.800 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(COC)CC1 1705903543 XTGFNNVVDXLEMA-LJQANCHMSA-N 490.649 2.948 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)CC=C)CC1 1740702904 AYDNKOJMNXSLLW-UHFFFAOYSA-N 483.638 2.917 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(OCC)c2)CC1 1740704965 YNJVUTHOEVPFIA-UHFFFAOYSA-N 460.582 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCOC(C)C)CC1 1740707727 NNRLSTVYBQZUDE-UHFFFAOYSA-N 453.587 2.865 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740721624 OLEFOESERHRWQA-IRLDBZIGSA-N 455.628 2.689 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1740729484 GHFBAANWASIGNQ-AREMUKBSSA-N 475.597 2.972 30 10 JFEE C=C(Br)Cn1c(N(C)CCc2cnccn2)nnc1[C@@]1(OC(C)C)CCOC1 1740748710 JHCOEDYDLCTHST-LJQANCHMSA-N 451.369 2.696 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740755727 LJFNIBWZKXDGSN-JBACZVJFSA-N 460.600 2.948 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1740773776 DHNVGAXLQDSGKI-CLOONOSVSA-N 488.633 3.000 30 10 JFEE 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Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2285213094 PRFJYNHQDALLDV-IAGOWNOFSA-N 457.380 2.627 30 10 JFEE CN(C[C@@]1(O)CCCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286312455 JATSRTDABFGHRZ-QHCPKHFHSA-N 480.436 2.881 30 10 JFEE COc1cc(CNC(=O)[C@H](F)CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289459340 UWUFMVFWDFKPTD-QGZVFWFLSA-N 466.359 2.864 30 10 JFEE COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2296183460 AVGMVOFDLXNTFT-IBGZPJMESA-N 460.380 2.914 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315636983 BSMJJDTUMKOEAW-KWUMSVIQSA-N 455.361 2.568 30 10 JFEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315683338 GAVYEUJFLSCZAG-ZIAGYGMSSA-N 451.398 2.960 30 10 JFEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C1 2325472176 DBTDEYVMMQXLBA-KSFYIVLOSA-N 457.568 2.526 30 10 JFEE Cc1nc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2341155485 BCDQOZQORPDMDM-SOUVJXGZSA-N 463.409 2.878 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C(=O)O)(N3CCN(Cc4ccccc4)[C@H](C#N)C3)C[C@H]2C1 2346955349 FTZSSVJIKSPKDH-QDMVCWPOSA-N 454.571 2.797 30 10 JFEE Nn1c(N/N=C/c2ccco2)nnc1SCC(=O)Nc1nnc(SCc2ccccc2)s1 20527796 MJFQHNYKBNNJTB-AWQFTUOYSA-N 487.596 2.906 30 10 JFEE COc1cccc(NC(=O)CCSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)[nH]2)c1 21075541 GSXTUQQIKKAXRG-RGVLZGJSSA-N 457.472 2.994 30 10 JFEE C=CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC=C)C(=O)C[C@@]1(C)O 35388713 DBLZMVSNLDNBEL-LXGFNABISA-N 451.313 2.947 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 492291317 QYUDSJXWHRVAMU-UHFFFAOYSA-N 477.334 2.836 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 520132544 BNRKDCKONVLEFU-UHFFFAOYSA-N 451.527 2.880 30 10 JFEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(Cc2ccccc2)c1=O 522277069 CACFFKVTHBKHNY-UHFFFAOYSA-N 461.562 2.968 30 10 JFEE C=C(C)c1cccc(C(C)(C)NC(=O)[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 585828504 VQKBPKXIJCCHDU-PKTZIBPZSA-N 462.594 2.738 30 10 JFEE N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 586688948 XZEVEVMBBIEJOD-UHFFFAOYSA-N 463.519 2.822 30 10 JFEE CC#CC[C@@H](NC(=O)[C@@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757200782 MOCOEYOFWYZCGH-DHIUTWEWSA-N 464.518 2.913 30 10 JFEE O=C(O)C#CCNC(=O)CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 757494047 WUEHKIQTYOZKDQ-UHFFFAOYSA-N 462.502 2.669 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1F 856659287 NIBOUDPVAWPCGQ-NRFANRHFSA-N 490.601 2.819 30 10 JFEE N#C[C@@H](C(=O)COCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916947890 BWSRLYZOCVKFPU-NRFANRHFSA-N 455.536 2.725 30 10 JFEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)c1O 1084082107 QZZUERBQNKFTHK-UHFFFAOYSA-N 481.460 2.902 30 10 JFEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1C 1084303174 HGASXTGLTGGTRJ-UHFFFAOYSA-N 485.486 2.602 30 10 JFEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286333461 HXTSAMMZYWRULQ-OAQYLSRUSA-N 471.627 2.707 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286392926 DBEKBYCEXNMCEG-YADHBBJMSA-N 485.654 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286428325 RSZMHJRFAAJHOG-HSZRJFAPSA-N 482.579 2.553 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[C@H](OC)C(F)(F)F)CC1 1286478615 BVLPOPVQSLFCTH-MOPGFXCFSA-N 465.476 2.513 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[C@@H](OC)C(F)(F)F)CC1 1286478619 BVLPOPVQSLFCTH-RBUKOAKNSA-N 465.476 2.513 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCC2)CC1 1286493978 YHNBJDZETYHZJQ-UHFFFAOYSA-N 464.614 2.536 30 10 JFEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286584036 WCAMBDRWVZJSKT-UFYCRDLUSA-N 488.633 2.827 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1286584922 QYYRKHDWWKRXOH-UHFFFAOYSA-N 461.526 2.960 30 10 JFEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286631242 FEOLIMMNCZGEKI-LJQANCHMSA-N 450.008 2.820 30 10 JFEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCNc2nccc(C(F)(F)F)n2)CC1 1286665119 SMIXQOPUERIVOM-UHFFFAOYSA-N 464.496 2.724 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286709340 QPGHQAMJHRZZOE-UHFFFAOYSA-N 474.993 2.765 30 10 JFEE C=CCn1c(N2CCN(Cc3cc(F)ccc3OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286778248 WPZIQSRMFBTEEZ-DEOSSOPVSA-N 459.566 2.975 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(Cl)=C(Cl)C1 1286819395 JGNSXAUENPWYMH-UHFFFAOYSA-N 474.370 2.506 30 10 JFEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(OC(F)F)c(F)c1 1290864850 BUEVMHKTMOUEPI-CYBMUJFWSA-N 458.448 2.752 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 1294644632 CFHJNJNVKHPVKF-FQEVSTJZSA-N 456.564 2.505 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300394620 UHDACQSDXHPKOQ-UHFFFAOYSA-N 461.570 2.747 30 10 JFEE C#CCCCn1c(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1300424435 HFJGXISVGDCFAQ-RUZDIDTESA-N 466.586 2.902 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300483491 LUCWUENGZPNTEJ-MRXNPFEDSA-N 469.514 2.696 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1300488656 FXFITIVDWJOKRR-IBGZPJMESA-N 467.595 2.935 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(F)(F)C1(OC)CCOCC1 1300626772 WLCZZPYJCWULBG-UHFFFAOYSA-N 489.571 2.743 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCNC(=O)C(C)C)CC1 1300686266 ZEFAPGNYIRMKGF-UHFFFAOYSA-N 473.625 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1300726989 SWOPHIQVRSTJGJ-HXUWFJFHSA-N 488.592 2.706 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)F)CC1 1300743367 NYLVCYVKUOXESI-UHFFFAOYSA-N 451.543 2.716 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1300862851 GTKHBBUZXBJBBE-RTBURBONSA-N 474.606 2.552 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1300885854 SKYXCTBSMIRLGA-NSHGMRRFSA-N 452.621 2.557 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1300996531 HXSOHTYXEFDDKY-HXUWFJFHSA-N 461.513 2.849 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1)C1CC1 1301326637 DQXPYNLYTHZMFH-HXUWFJFHSA-N 477.656 2.926 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1)C(C)C 1301368245 ZPIXLULHKPQZQN-OFNKIYASSA-N 480.613 2.768 30 10 JFEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301468947 RVMKVMMQEIFGHX-XMMPIXPASA-N 468.646 2.891 30 10 JFEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301472775 LXSICUWQIWDGPN-GOSISDBHSA-N 465.558 2.839 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1301482802 ZZZOTZQCDCXPEH-KRWDZBQOSA-N 485.589 2.951 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1301520799 PKZYJYSYXMADAI-WAOWUJCRSA-N 454.575 2.552 30 10 JFEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)[C@@H](C)CC)c2ccccc2c1=O 1313459052 IAWUAICDBWYHIX-RBUKOAKNSA-N 478.601 2.524 30 10 JFEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1314636013 BVZTYZDIEHWJHR-UHFFFAOYSA-N 467.618 2.765 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCn2cc(C)cn2)c1 1358902829 AKLYKOLJQFXGAV-UHFFFAOYSA-N 474.594 2.895 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358957878 BUCINLFMNHCPRY-LEWJYISDSA-N 485.585 2.915 30 10 JFEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358962829 YAVIWLQHVDQSCJ-QGZVFWFLSA-N 468.583 2.657 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)(F)F 1358994797 WOUPVWBCGPVHPY-QGZVFWFLSA-N 466.485 2.590 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1359019703 DBIYCSYVWTVLRJ-ZJOUEHCJSA-N 471.627 2.718 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(Cl)c2c(c1)OCCO2 1359026617 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C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCc2ccccc2F)CC1 1359299585 IYBSBTJOGJGHNY-IBGZPJMESA-N 457.550 2.799 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359303761 ACMYBQKTEYLMQX-LJQANCHMSA-N 489.642 2.605 30 10 JFEE C=CCSCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1359346212 FQPZDSGPQVVOKC-AUSIDOKSSA-N 465.664 2.539 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1360769378 HWTHQNIOWPTXPW-GAJHUEQPSA-N 460.529 2.846 30 10 JFEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 1435078262 GRSVMYRLQOKXKP-UHFFFAOYSA-N 456.612 2.980 30 10 JFEE C=CCOc1c(Br)cc(CNCC2(N3CCOCC3)CCOCC2)cc1OC 1461567138 UDDOHKJEJVWIGK-UHFFFAOYSA-N 455.393 2.994 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 1462091354 CPJLLQVOESTKCH-UHFFFAOYSA-N 452.580 2.624 30 10 JFEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1463834317 DXLCZZRZEBZODK-YOEHRIQHSA-N 459.547 2.833 30 10 JFEE 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461.501 2.918 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCN2CCCCC2=O)CC1 1539436524 VUWVLTSJUAAYMJ-UHFFFAOYSA-N 494.640 2.899 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)c2cccs2)CC1 1539470790 ZPAXTABXAYJIBE-DEOSSOPVSA-N 494.577 2.788 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1539475684 MICNZGUCFIZNDM-HSZRJFAPSA-N 475.572 2.748 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCCC2=O)CC1 1539489096 GRMLRCHIZHCHNS-FYYLOGMGSA-N 498.672 2.565 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NC(=O)C2CC2)CC1 1539507700 ZLIAHFLHEBKNAF-UHFFFAOYSA-N 469.611 2.824 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1540898486 LYXJABFWXDEESF-INIZCTEOSA-N 484.525 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1540899031 BMLQYLPXPABBPS-JOCHJYFZSA-N 460.531 2.684 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cccs2)CC1 1540899657 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JFEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)CCOC1 2283971191 IKNAZIVATLGXFY-DEOSSOPVSA-N 458.364 2.512 30 10 JFEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283980732 DCWFXXMXRSPCQD-IBGZPJMESA-N 462.396 2.874 30 10 JFEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283991423 QXSMDUIAFLRBBT-GOSISDBHSA-N 460.380 2.805 30 10 JFEE C[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2284066081 PGPSLZSMRUNXHS-TYISYKOQSA-N 480.436 2.890 30 10 JFEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302955086 KLCHODMPXWPSTL-PMACEKPBSA-N 450.601 2.655 30 10 JFEE CN(OCC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1)C(=O)OC(C)(C)C 2314909508 LXMXBAFVCBGSMM-UHFFFAOYSA-N 452.382 2.731 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2315695469 OHQJQFQREGIADM-CQSZACIVSA-N 451.398 2.962 30 10 JFEE COc1ccc(OC)c(C=CC(=O)[C@H]2CNCC[C@H]2NC(=O)Cc2ccc(OC)c(OC)c2)c1 2318585038 YOLAKIABKZTJSC-LEWJYISDSA-N 468.550 2.640 30 10 JFEE Cc1cc(C)n2[nH]c(=NC(=O)COc3ccc4c(c3C)OC(=Cc3ccc5c(c3)OCO5)C4=O)nc2n1 2325141215 WYTHMWWQSAURCE-UHFFFAOYSA-N 499.483 2.834 30 10 JFEE COC(=O)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(C(=O)OC)cc1 2328398716 NJLLEZDSQHVKRL-UHFFFAOYSA-N 470.507 2.800 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2330793159 DNQZHGDIWFKPKY-INIZCTEOSA-N 494.577 2.537 30 10 JFEE Cc1ccc(NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2352951257 FCJTXYGTTGATGA-AWEZNQCLSA-N 452.332 2.505 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C)O2)[nH]1 2362158269 XVYNBOJRAXWORK-PKOBYXMFSA-N 461.412 2.938 30 10 JFEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C(C)(C)CN1C(=O)OC(C)(C)C 2362450061 BKBAFDRQRGIKGH-HNNXBMFYSA-N 462.400 2.579 30 10 JFEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362489045 DHYVXGYGPZIFJX-HSZRJFAPSA-N 464.416 2.793 30 10 JFEE CC[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)CCN1Cc1ccccc1 2362571363 MBWIDPDWEMBNHW-FQEVSTJZSA-N 452.408 2.764 30 10 JFEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CN(Cc3ccccc3)[C@@]3(CCOC3)C2)OC1(C)C 2362572997 HWYFRKMMFJKWIZ-KOSHJBKYSA-N 469.416 2.606 30 10 JFEE Cc1cnc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2366858751 SMVRDIGNIPREIU-XYJFISCASA-N 457.380 2.817 30 10 JFEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](C(=O)O)C1 2369066582 CLRHIHGNPKNSQO-SFHVURJKSA-N 464.343 2.631 30 10 JFEE C=CCn1c(=O)/c(=C/c2c(F)cccc2F)s/c1=C(/C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 9540306 GGBPRUDHLKAFKL-CZTLQWBISA-N 495.507 2.692 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1 27094318 UAMAOPANQQDNCB-UHFFFAOYSA-N 469.954 2.603 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 521727629 QUVLXBAFWUNHLP-UHFFFAOYSA-N 472.567 2.570 30 10 JFEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccc(O)c2)c1 526761655 KPMRKZAARZCYMH-OAQYLSRUSA-N 480.498 2.831 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](Oc4ccc(C)cn4)C3)nnc12 858063649 HCXRZCLIOGXGCH-KRWDZBQOSA-N 476.562 2.706 30 10 JFEE C[C@@H](CC(=O)Nc1cccc(CN2CCCCC2=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 1136490438 CRFYRNSPNPOQSN-INIZCTEOSA-N 454.552 2.655 30 10 JFEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@H](C)COC 1278971996 MVIOVIIMRZIGCG-HZPDHXFCSA-N 459.406 2.899 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1 1286272991 DUPXVLKLALQLJG-WMZOPIPTSA-N 455.559 2.687 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNS(C)(=O)=O 1286278716 PUUITZDAXRDBAR-HOTGVXAUSA-N 453.996 2.695 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286345261 VXPWCMBZARUSBR-UHFFFAOYSA-N 488.017 2.565 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286350105 VGSHYENAJYINJY-MSOLQXFVSA-N 459.547 2.920 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C(=O)OC(C)(C)C 1286376086 FERSBOBFAAVWEQ-SFHVURJKSA-N 492.621 2.913 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286388526 QQNOFYHIBHNDKB-DENIHFKCSA-N 481.622 2.994 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNc1ccccn1 1286430961 LMDSDPFIEGVOPJ-UHFFFAOYSA-N 469.597 2.812 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1286431651 WXSRJPGNJMJNID-FQEVSTJZSA-N 484.601 2.698 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1286474689 OSBSMCJSIVWZKJ-UHFFFAOYSA-N 457.007 2.946 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1286478712 JVLTXKDYSFVUHL-HSZRJFAPSA-N 459.063 2.715 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNC(=O)C2CCC2)CC1 1286485305 YJNKGGNMODICJA-UHFFFAOYSA-N 464.614 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC)c2ccccc2)CC1 1286491343 NXDZMZPJNFOADO-QHCPKHFHSA-N 458.566 2.617 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C(N)=O)C1 1286707523 FGHOQAPSYZZOMU-AWEZNQCLSA-N 464.364 2.621 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1COCCO1 1286742981 TXFNMJZUPZOPHO-DHLKQENFSA-N 467.570 2.798 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C)C1 1286787002 AFJYHKHHBZFRIK-DLBZAZTESA-N 464.636 2.637 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286791877 GANHKBXUDBYUBN-VQIMIIECSA-N 488.564 2.648 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC2(CCCCC2)C1 1286793598 ZFLRNOHWZJOKKM-UHFFFAOYSA-N 455.559 2.707 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286817294 QXVBSDFLOQVDQI-UHFFFAOYSA-N 471.627 2.693 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1287058514 GOGMKWNYHAAZDU-YADHBBJMSA-N 495.628 2.767 30 10 JFEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1288008835 CAEFAJOAEWFWFV-UHFFFAOYSA-N 494.688 2.533 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC[C@H]1C 1295876400 ANGLCWQUPSAPIY-LJQANCHMSA-N 458.632 2.952 30 10 JFEE C=CCN(C(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)[C@@H](Cc1ccccc1)C(=O)OCC 1296420889 NXULBSXBIIFNKA-PMACEKPBSA-N 457.548 2.800 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)C1 1299032235 FDHWBSVHTDSGLE-WVMBUTMQSA-N 452.559 2.506 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1300339240 KRHREVHKNUMQAH-GOSISDBHSA-N 452.584 2.857 30 10 JFEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300365126 PXILMXZDUBCJFH-HSZRJFAPSA-N 480.613 2.585 30 10 JFEE C#CCCCn1c(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1300424248 CZEDQFCNQCQPFI-HYBUGGRVSA-N 470.549 2.883 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300482775 GZCQTZJYIOGXRF-OTWHNJEPSA-N 493.674 2.876 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300488124 AYIGRHGVVIKWIB-QGZVFWFLSA-N 459.934 2.808 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2c(c1)OCCO2 1300512945 OLBHMTGERFLNOB-UHFFFAOYSA-N 466.339 2.938 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300516299 LNHZLCHPMKLFTC-QFIPXVFZSA-N 474.521 2.901 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H]1OC 1300575160 SJKQPWYEINXWAZ-UYAOXDASSA-N 454.600 2.516 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1300609062 IVLNNBZVCZIWBF-XMMPIXPASA-N 471.627 2.630 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1CCN(CCN(C)C)CC1 1300647100 AAYDOIWBGPBNHA-UHFFFAOYSA-N 478.620 2.731 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2OC)CC1 1300728922 KEHOPLNRNIENIB-UHFFFAOYSA-N 496.015 2.816 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300765800 LNMDBYKUTCLSFC-UHFFFAOYSA-N 485.608 2.959 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1300879310 CCPAMLANTVONSB-WIYYLYMNSA-N 454.575 2.786 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300880666 JVKCWHLFBBUWCQ-XLIONFOSSA-N 462.620 2.505 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CCC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300896623 HMHWRGGNRUCJGA-JLRUASKGSA-N 475.634 2.782 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301003202 GNHQIALGYPSWQR-SQNIBIBYSA-N 461.529 2.668 30 10 JFEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCCn2cc(Br)cn2)CC1 1301092194 SHFZVBHJHXBKKL-UHFFFAOYSA-N 462.396 2.996 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301240679 FQZBSTJEEIPQFJ-INIZCTEOSA-N 486.436 2.652 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1301340427 ZXUGXJOHDCBIPB-OAQYLSRUSA-N 472.615 2.721 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(Cc1ccco1)C(C)C 1301484307 DVUFXVXSHKDLGG-UHFFFAOYSA-N 457.556 2.659 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1301508050 CSNRCARUIFLFHP-UHFFFAOYSA-N 466.611 2.958 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301531576 QMUKTTFDJKYOMU-NRFANRHFSA-N 467.595 2.890 30 10 JFEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)s1 1306053719 BXYVVFNXSVCENN-INIZCTEOSA-N 464.599 2.972 30 10 JFEE C#CC[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OCC)cc3)C2=O)C1 1307871575 CWYOVJHNNCCSTO-DDNKWHRWSA-N 455.580 2.973 30 10 JFEE CCN(C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1)CC(F)(F)F 1313784654 FKWDKFZDVNZANH-GOSISDBHSA-N 473.507 2.819 30 10 JFEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1358910931 FRQXVPDFSSHMJC-JKSUJKDBSA-N 456.572 2.655 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1358913150 GXYMLDDEWBITFC-LJQANCHMSA-N 457.579 2.723 30 10 JFEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358920944 LODVYIKVUUDYBT-VQTJNVASSA-N 464.570 2.921 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1358962898 YTYXGBUSZVFTDR-MOPGFXCFSA-N 479.647 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CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1598202150 FLJSRPZSZAPPQH-VWLOTQADSA-N 456.554 2.817 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1607592948 GKKFAPDCUVXMFS-GOTSBHOMSA-N 452.603 2.539 30 10 JFEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1618006915 BCGHKHLTTVLYFB-UHFFFAOYSA-N 465.461 2.500 30 10 JFEE CO[C@H](C)c1nc(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)cs1 1618927615 AJDIGCGEXLGBCU-RDTXWAMCSA-N 458.519 2.937 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 1635752917 YQPCPOMMAMSSKO-UHFFFAOYSA-N 455.536 2.906 30 10 JFEE C=CCNc1ncc(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)s1 1640252832 LFLMGBNNGQULJD-UHFFFAOYSA-N 459.391 2.520 30 10 JFEE Cc1cc(Cl)cc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1652906322 CWGZYAHSYRVVKD-UHFFFAOYSA-N 451.907 2.571 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN(c3cc(CC)ncn3)CC2)cc1 1665968851 HVTPJEUFAYVYID-UHFFFAOYSA-N 458.588 2.636 30 10 JFEE C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1686264715 BSXKMZLMXBWZGC-ROUUACIJSA-N 457.356 2.882 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1689943629 XUYFZHRRXJWGFG-PMACEKPBSA-N 469.590 2.865 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689988583 RXYMRZGRPHYTLI-JOCHJYFZSA-N 496.612 2.546 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2ccnc2)c(F)c1 1690003051 BJSCPKXEHPVLGG-RUZDIDTESA-N 462.529 2.765 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1690113477 KRPFKEOHHHODSY-KRWDZBQOSA-N 466.330 2.887 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(=O)NCC=C)CC1 1690115600 MGNLAZPAHRVFHI-UHFFFAOYSA-N 464.570 2.870 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1690146675 TXXUSRXPHSBADQ-UNMCSNQZSA-N 465.598 2.914 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COc2ccccc2)CC1 1690175488 YLLTTYJCHSHFAM-FQEVSTJZSA-N 474.652 2.842 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690219781 LBVLKMCUACRWOA-IAGOWNOFSA-N 472.428 2.600 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1690254636 FPFSSUFCRURLMT-RDGPPVDQSA-N 474.606 2.643 30 10 JFEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690467155 MVXAKBRYZKNZRF-UHFFFAOYSA-N 454.575 2.929 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690675829 GQHLTWHTRLFICZ-YGKZAACZSA-N 475.977 2.585 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690682824 ZYWCDJPGIJXYRA-FQEVSTJZSA-N 466.586 2.537 30 10 JFEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1697736543 AKNAALQTYQQAPV-YOEHRIQHSA-N 450.465 2.604 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2cccs2)CC1 1705494861 HIPBGSBFDBGICE-PKOBYXMFSA-N 461.657 2.612 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2cccnc2OC)c1 1705507092 RALNMNMLSRQUDF-UHFFFAOYSA-N 467.533 2.772 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1705560392 GPGZABUFCGIOFB-SFHVURJKSA-N 463.585 2.623 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705561558 USNSFQAAXKGTON-QMMLZNLJSA-N 461.607 2.860 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705564544 BSKNADHGAJDEFC-IBGZPJMESA-N 457.600 2.625 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1705583390 XBGCYFVAJRXVQZ-IBGZPJMESA-N 483.594 2.648 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C)CCOCC1 1705627162 XJSPCDQLFQSOJF-UHFFFAOYSA-N 478.597 2.968 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705687623 HCSCYXQZVSFELH-CQSZACIVSA-N 455.426 2.694 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1C 1705700672 XEKAJZDGZVWOME-URVUXULASA-N 474.627 2.985 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1705709264 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453.616 2.931 30 10 JFEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 1359613736 HUGFCIMVZCJBJO-UHFFFAOYSA-N 479.629 2.622 30 10 JFEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)Oc1ccc(F)cc1 1360563296 HDBCJTPIBHCPBK-AEFFLSMTSA-N 461.563 2.917 30 10 JFEE C#CC[C@]1(C(=O)N[C@H]2CCc3ncc(Br)n3C2)CCCN1C(=O)OC(C)(C)C 1440067167 VLTBRMJMOGQPKP-VBKZILBWSA-N 451.365 2.870 30 10 JFEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCc4ccc(C#N)cc43)cc2)C1 1463457883 DQKVVTSUXUTQFO-IRXDYDNUSA-N 459.593 2.976 30 10 JFEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CC(=O)OC(C)(C)C 1473621308 YPNLBZQEBNAXBB-UHFFFAOYSA-N 455.477 2.757 30 10 JFEE Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)s1 1492632502 GRCQCYDFLYIYHX-HZPDHXFCSA-N 465.583 2.964 30 10 JFEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(OCCN(C)C)cc1 1499145301 FKERWUVOEAYJAM-UHFFFAOYSA-N 474.613 2.617 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1499983491 GUNABQPJAOXLLO-OAQYLSRUSA-N 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C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539202017 DYKGWVTXTADRLC-VXKWHMMOSA-N 455.628 2.865 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539210751 GGHPSTXWIHPAQM-ICSRJNTNSA-N 499.662 2.945 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539220855 MFVYHOCLVQLLIW-HXUWFJFHSA-N 472.611 2.822 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539221227 YZDLTVZVSQSRFA-IBGZPJMESA-N 474.627 2.949 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539230255 LFLFZRDXGBHWOC-RBBKRZOGSA-N 486.638 2.861 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(CS(C)(=O)=O)c1 1539250484 OOVJSRDKJVUAQX-UHFFFAOYSA-N 453.955 2.659 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCOC1CCOCC1 1539385078 WCNBIAVACKIAJL-UHFFFAOYSA-N 469.561 2.879 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1N1CCOCC1 1539405957 REALCDNBFVFFNU-UHFFFAOYSA-N 466.973 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(COC)cc2)CC1 1539480557 BQVGOGDYMBNPKG-QFIPXVFZSA-N 451.571 2.680 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(OCCOC)CCOCC1 1539565982 AEUAKYAIPWUKMW-RUZDIDTESA-N 479.581 2.933 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1539931492 LEHZKUGWWDAMHJ-DFBJGRDBSA-N 485.633 2.930 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1539981719 JCXWGHPJEJYOEU-GOSISDBHSA-N 474.631 2.562 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1540071777 NBWDGTRRULOLSP-QZTJIDSGSA-N 467.636 2.982 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCCO2)C1 1540885959 RZGHICUENANXJX-UXHICEINSA-N 475.615 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540904318 LYMWLRPBPYGWOB-OAQYLSRUSA-N 483.619 2.981 30 10 JFEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1541757709 HUJZBZDJCVLYOP-UHFFFAOYSA-N 465.602 2.523 30 10 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JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1588947635 SAKICXJANIHUMU-QFIPXVFZSA-N 477.638 2.594 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1588954299 DPPCAHMLZOMTRZ-QHCPKHFHSA-N 479.625 2.853 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1588961548 DCKOZVMYQYJOCQ-OALUTQOASA-N 469.561 2.777 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1594788036 DYRXOJLBPLGHBY-UNMCSNQZSA-N 489.642 2.793 30 10 JFEE C=CCCOCCn1c(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C 1594829625 NKQDKBZWKKZISY-SFTDATJTSA-N 460.667 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2c(F)cc(F)cc2C1 1595811851 DAJDSQMNAGXHEB-UHFFFAOYSA-N 459.522 2.706 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)C1 1596540011 FNHVSNFCKMDTGI-IBGZPJMESA-N 461.574 2.564 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)CC1 1615210030 ZIBZLEZAQQTLBK-UHFFFAOYSA-N 456.546 2.808 30 10 JFEE COC[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1619589570 GFHOAROJXXCCJJ-IBGZPJMESA-N 462.602 2.616 30 10 JFEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 1625343899 MEFYNHBRDJIIDE-FXAWDEMLSA-N 455.559 2.892 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 1634337483 MRYKRAAZMHHYOX-DLBZAZTESA-N 457.980 2.633 30 10 JFEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 1639996484 DPXMDGMFGPBEFD-OAHLLOKOSA-N 452.561 2.933 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1649537701 CIBZFJAZZGYLAT-MCEYFSPLSA-N 466.630 2.599 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1689926626 UYPOWPPAKVRUPR-UHFFFAOYSA-N 475.597 2.954 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc([C@H](C)O)cc1 1689966681 YQAXAEKUICVWNS-PXNSSMCTSA-N 455.559 2.758 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689980309 PMRUHXACUVETAA-YZZKKUAISA-N 476.574 2.753 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1689998127 CBWFDVBZUGQUQN-UHFFFAOYSA-N 458.566 2.764 30 10 JFEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1)c1ccccc1 1690321419 AZYXXNKJFWJPCC-LJQANCHMSA-N 467.549 2.971 30 10 JFEE C=CCCOCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690511030 NCIKMXMIGLMGAO-QRVBRYPASA-N 476.622 2.604 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(SC)CCN(C)CC1 1690516160 ACUKIMJWBBCIPU-UHFFFAOYSA-N 477.704 2.996 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690631164 SGCPKCMCYKCGHS-UHFFFAOYSA-N 473.379 2.602 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CC(N)=O)CC1 1690675843 HDRYOWXXAHNBPJ-UHFFFAOYSA-N 481.384 2.558 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690676103 PYADLTWCTPNHRB-UHFFFAOYSA-N 492.580 2.640 30 10 JFEE C=CCSCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690752647 NISVROLXAPIVNP-HSZRJFAPSA-N 465.664 2.933 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1691003044 BGZBBZPRXZLMOT-WCVJEAGWSA-N 478.541 2.500 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)F 1692740904 CGJIWZWVCJJOSC-OAHLLOKOSA-N 490.536 2.773 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1693940800 GQNOBOQDJWCMQE-SWHJIRTISA-N 452.603 2.773 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1705565065 SBSSLWRNESPSTC-MRXNPFEDSA-N 481.416 2.761 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1705566707 QPAMXRUJXKAIMZ-GOSISDBHSA-N 455.971 2.977 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(F)(F)Br 1705584872 BCOODVAWRBKPSS-UHFFFAOYSA-N 491.384 2.703 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1705588081 VBPSDVQKJLHZOS-FGZHOGPDSA-N 484.622 2.752 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H](C)N1CCCCC1 1705595102 FXUWAEKHWAKPMS-NRFANRHFSA-N 481.670 2.966 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1705639706 UPAVRPGDWNCIAF-RTWAWAEBSA-N 472.634 2.922 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccco2)N(C)C)CC1 1705643626 MXDMMPIEBMMOAW-KCZVDYSFSA-N 454.619 2.848 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1705644675 YYSFDJPZNDGIIO-URXFXBBRSA-N 478.641 2.658 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC=CO2)CC1 1705644890 FEYLTFFCLRAWQE-SFHVURJKSA-N 487.402 2.705 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CCC)C(=O)C1 1705655634 OMEKMQXAJINUAN-UHFFFAOYSA-N 479.448 2.861 30 10 JFEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705655638 OSSNEDKCLWELSK-HKUYNNGSSA-N 452.584 2.942 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1705659151 MVTCGQGTJQXRHH-LJQANCHMSA-N 466.611 2.903 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1705666782 JHBDJWCRJISDOW-OYHNWAKOSA-N 457.556 2.684 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(C)c1 1705680411 AJUMZESGZMKHNY-AWEZNQCLSA-N 472.409 2.750 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705681410 USBIUZHUXTXPQR-MRXNPFEDSA-N 485.427 2.637 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1705693019 AMRZVWSDSHBOLO-URVUXULASA-N 472.634 2.628 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1705725739 ORDIEKRWSFGEJM-JKSUJKDBSA-N 479.006 2.660 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OCC)CCOC1 1705802507 NGNLKZPHHWNKKC-VWLOTQADSA-N 482.633 2.773 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705828638 UPPZKLWIQWGMES-UHFFFAOYSA-N 461.570 2.528 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O)C1CC1 1705855137 WHGUNSBEYRFAKZ-HXUWFJFHSA-N 484.601 2.797 30 10 JFEE C=CCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893385 GLRJBOSYVSXUPK-BGYRXZFFSA-N 484.649 2.907 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1705907477 OBALKESISIWINP-FQEVSTJZSA-N 479.585 2.801 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCCC1=O 1706074621 BLMPHLMDOVGNRC-FQEVSTJZSA-N 479.633 2.841 30 10 JFEE CCOC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1710357452 GOZCJSDFSPWQQD-UHFFFAOYSA-N 470.574 2.947 30 10 JFEE CO[C@@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712038259 CCUVBIMEKPGNGH-NJYVYQBISA-N 452.559 2.681 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1712878129 GJNNASITOHQDSD-INIZCTEOSA-N 456.419 2.925 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCc1ccccc1 1722292217 UAMRHEAHZBHFMN-CTNGQTDRSA-N 496.612 2.751 30 10 JFEE C#CCCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722321598 AAGHNRSUWDZSSA-SANMLTNESA-N 480.613 2.548 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722350272 RWXQEUQSIFGUOG-JOCHJYFZSA-N 473.002 2.869 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC[C@H]1CC 1722356156 LBMYJIHUEFUMEA-XMMPIXPASA-N 463.674 2.977 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722370392 BSNZQBWUNYTUCQ-JOCHJYFZSA-N 486.638 2.917 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C)n1 1722396160 FWWBTFGJJNNBDH-JOCHJYFZSA-N 478.597 2.996 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1cccs1 1722406780 VMKOHKDAYGQCEZ-JOCHJYFZSA-N 473.624 2.624 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC2CCN(CC)CC2)CC1 1722442768 BTXVAXLTTBPZOP-UHFFFAOYSA-N 452.603 2.934 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)N(C)C 1722464448 GMVFLUVSPHNZMP-PXDATVDWSA-N 450.587 2.818 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1722480069 OJWUIMWZJCNKBK-OKILXGFUSA-N 475.185 2.805 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722497223 SVQHBLBHUZRWJK-HMFYCAOWSA-N 490.626 2.957 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722558917 CZWROAUBOJGIDD-HXUWFJFHSA-N 466.586 2.799 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1722672409 PTPIXTZWFNJEEU-NRFANRHFSA-N 452.584 2.652 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(N2CCNC2=O)CC1 1722686311 WYMOZUJJHWWOFQ-QGZVFWFLSA-N 459.595 2.573 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722728413 VSQDEVYYWZQTLQ-RBUKOAKNSA-N 479.647 2.886 30 10 JFEE COc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1730135251 DZLMKCZDESUFLD-QHCPKHFHSA-N 484.557 2.971 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1731180096 HXISAXALXWIJAX-VLIAUNLRSA-N 469.489 2.813 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)[C@H](C)CC)c1 1740563201 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2.949 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2cccc(F)c2)CC1 1748994688 NDPGMRJWXRRRDH-FQEVSTJZSA-N 451.550 2.502 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cccc(F)c2)CC1 1749016743 MVCXGCNSMCHDMK-UHFFFAOYSA-N 466.586 2.981 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749134273 WVZOMRPKMRVWBK-DENIHFKCSA-N 459.616 2.649 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@]1(OC(C)C)CCOC1 1749140634 RRVMCAFVHFEILG-IZIIKQMZSA-N 458.607 2.978 30 10 JFEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCSC1 1749165251 APTWZNVTMXVHNY-RUZDIDTESA-N 470.687 2.913 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(C)C)C1 1749229950 RLGYNNQKFHHDET-OAQYLSRUSA-N 455.607 2.906 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1749454926 MNQMVZYPUOQDIM-UHFFFAOYSA-N 477.491 2.871 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749640907 LYCLYLPNYPJFAF-IBGZPJMESA-N 489.418 2.548 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCOCC2)CC1 1749657770 FKWVJOSQAMKAOT-UHFFFAOYSA-N 479.412 2.855 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 1749735430 SHRDRUXGBALBSX-RTBURBONSA-N 473.647 2.535 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1749754868 AWYOFUCRLJWTQD-LJQANCHMSA-N 498.074 2.746 30 10 JFEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)CC1 1750197569 GFYZYVNZJGSXDE-UHFFFAOYSA-N 457.600 2.630 30 10 JFEE CC(C)SCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1751060760 GGBSGPUHSSMRJH-KRWDZBQOSA-N 451.604 2.802 30 10 JFEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)c1 1751728784 GWKLVOVJFVDFCB-UHFFFAOYSA-N 459.558 2.921 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC12CCOCC2 1760116957 LTBWVSWFVFBOIY-IPMKNSEASA-N 459.591 2.861 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2CCCC[C@@H]2C)c1 1760126513 ATFSMPPQNAUVFR-FQEVSTJZSA-N 479.629 2.737 30 10 JFEE 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C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC)CC1 1760358800 ZMPRMGFFZBXBAA-HXUWFJFHSA-N 457.531 2.662 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760374711 WINATZNAWCVJKW-AEFFLSMTSA-N 452.964 2.519 30 10 JFEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 1760418413 RZRYCLSAJUNLDP-FQEVSTJZSA-N 483.642 2.899 30 10 JFEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C 1760467488 KEVFLTFLGDPPDV-UHFFFAOYSA-N 463.634 2.660 30 10 JFEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1760468390 SEODVHHPMPGGJZ-HSZRJFAPSA-N 459.616 2.696 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1760510358 UNVPWDLOIPMLGQ-IBGZPJMESA-N 486.548 2.765 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1760540064 AHJRJGMXOAZSCP-PKOBYXMFSA-N 466.508 2.775 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 1765496850 BLSBDXRNLYODPB-LJQANCHMSA-N 475.645 2.830 30 10 JFEE 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C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNc1ccccn1 1358892140 SYAXLUYHOBLQJO-MOPGFXCFSA-N 469.590 2.942 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1358917956 GZLJZUFTUCYKFE-OALUTQOASA-N 460.648 2.809 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955986 YBAADKMRNWELRY-NRFANRHFSA-N 492.605 2.575 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358964311 XFRLLWPADUIGJH-RTBURBONSA-N 481.663 2.653 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCCC1(C)C 1358971465 WXFODBVCMXLHEP-XMMPIXPASA-N 468.627 2.561 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C2CC2)N(C)C)CC1 1359031729 NQEZHMLUBZVPLU-OAQYLSRUSA-N 487.446 2.812 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1359044346 CVIVCXHXEYPCQE-UHFFFAOYSA-N 483.638 2.517 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359082356 GGCHWVAMXDYRIF-LSDHHAIUSA-N 483.411 2.831 30 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452.559 2.739 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)C[C@H](C)C1 1359327466 BYOOOQZXCILAAT-IRXDYDNUSA-N 494.687 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359330372 PQDUBRGPONVESL-UHFFFAOYSA-N 491.614 2.612 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1359332718 FKMIWISPHGNIRA-UHFFFAOYSA-N 477.631 2.686 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1359336232 IVRSROZJYPIUCQ-DYXWJJEUSA-N 478.590 2.736 30 10 JFEE C=CCOc1cccnc1C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1443409831 AVVHJBJZGRBJQA-UHFFFAOYSA-N 452.536 2.731 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)s1 1455445138 JWNJCUFDDNMOMB-CQSZACIVSA-N 450.582 2.918 30 10 JFEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1478567132 GSZYSSDDARZHJV-WOJBJXKFSA-N 455.559 2.605 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nc(C(F)(F)F)cs2)CC1 1503821619 DVMWLUZAVWZGDZ-UHFFFAOYSA-N 490.515 2.996 30 10 JFEE COC(=O)N1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1503887685 HPGXTVXLOMFAQD-IBGZPJMESA-N 458.950 2.729 30 10 JFEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1507568744 YXPSNSWPCOWNLO-UHFFFAOYSA-N 478.622 2.719 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507595105 MKJKWPUOUWRTPT-QAPCUYQASA-N 458.360 2.748 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507595545 RFXWBEQIEXICSP-UHFFFAOYSA-N 464.614 2.632 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)c1ccccn1 1507606454 MKNCARWRMJGLOE-UHFFFAOYSA-N 452.584 2.638 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1507628788 QEZDFRDSNNIWJL-GOSISDBHSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507639371 XNJFULCNVOJZAR-PWRODBHTSA-N 479.691 2.554 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1csc([C@@H](C)OC)n1 1507660917 HOUBJHCAWADBHO-JPYJTQIMSA-N 457.600 2.994 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC(O)CC1 1507695270 XKIRIWDXHXDIFJ-UHFFFAOYSA-N 461.614 2.604 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(C)CN(C)C2=O)CC1 1507721518 UWUJQHLJJMLUHY-OAQYLSRUSA-N 491.821 2.595 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1507736351 JCPOIBAYWRYEEI-UHFFFAOYSA-N 499.497 2.690 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)COC)CC1 1507749452 VVVQTAVLXXSVQV-KRWDZBQOSA-N 473.668 2.793 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCS(C)(=O)=O 1507806196 MCECAYPVZOVHKI-SIKLNZKXSA-N 462.616 2.936 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1508017657 FSKYPPFAUWQMLN-UHFFFAOYSA-N 457.538 2.600 30 10 JFEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1508057676 JQUVCFXGVLMYIN-CABCVRRESA-N 454.522 2.886 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1508093890 KYWBMVLTFALEKW-UHFFFAOYSA-N 485.589 2.698 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508113071 DVKFGUDEVDVCOX-GUDVDZBRSA-N 493.605 2.763 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1508122218 HXAVLUXCUNWAMR-QRVBRYPASA-N 474.606 2.658 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1508158114 DVVMTYXPQYHOHO-LJQANCHMSA-N 470.599 2.607 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccc4F)n3CCOC(C)C)CC2)c1C#N 1511661897 HLJJZKCWFZVACX-UHFFFAOYSA-N 466.565 2.673 30 10 JFEE C#CCN(CC#CC)C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 1531024041 FYSDWBZCPWXIIB-FQEVSTJZSA-N 450.564 2.598 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3CN(C)CCO3)cc2C1=O 1535488007 DDRBCTFCAWJVRC-NHCUHLMSSA-N 453.926 2.924 30 10 JFEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539097300 IOUHWILTTXABBO-QGZVFWFLSA-N 488.434 2.582 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539097569 RSRBIBDTWKTKCB-SFHVURJKSA-N 467.599 2.514 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539220056 PCNQMJYAISRJMJ-FKBYEOEOSA-N 456.612 2.619 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N1CCCC1 1539238168 RGOMOYKDFHQFMB-GBXCKJPGSA-N 453.612 2.902 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539245204 AZZLYEGJHXMUTC-SFHVURJKSA-N 485.610 2.582 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(COC(C)(C)C)on1 1539338694 YJHUQNIVQRDITB-RXVVDRJESA-N 455.559 2.816 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)c2ccccc2)CC1 1539484108 CKKBDUNXLHMIAF-HSZRJFAPSA-N 458.566 2.617 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1539489875 YPGZRGAQQWVPBZ-BVZFJXPGSA-N 469.561 2.513 30 10 JFEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@H](C)C1 1539595092 AELQBMMSPVMNPK-HZPDHXFCSA-N 462.396 2.974 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539616156 OYQNZKSZDYQZAF-LSWJPFSZSA-N 481.601 2.577 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1540194707 YMRSCESVHWFINK-FQEVSTJZSA-N 468.371 2.552 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1540866998 HJKDFHGOHIDGKH-SFHVURJKSA-N 475.519 2.829 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1540881756 RRKPCPPDUJADSK-CPJSRVTESA-N 470.570 2.931 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1540907200 OFGREKXTDDXGEL-LJQANCHMSA-N 467.551 2.916 30 10 JFEE C#CCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 1544542409 MIXGTILWCSLFQE-UHFFFAOYSA-N 455.580 2.738 30 10 JFEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)CC1 1544630184 CYAMZCXPNOQLTG-KRWDZBQOSA-N 455.536 2.645 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1547384401 AEPGZDVFEJNURZ-HKUYNNGSSA-N 493.680 2.591 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1547409139 AHQXPANKCILXJR-UHFFFAOYSA-N 493.591 2.665 30 10 JFEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1(C)C 1548024511 HAZLAOOMRCIUPO-SFTDATJTSA-N 466.586 2.705 30 10 JFEE C#CCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1561262303 NSLMRDHJZFBLLX-UHFFFAOYSA-N 456.289 2.865 30 10 JFEE N#CCOc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1563915697 AWLXKWJYOPVGMW-OAQYLSRUSA-N 454.552 2.655 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCNC(=O)C(C)(C)C)c1 1587689299 FLWNCFGRZSGSKM-UHFFFAOYSA-N 459.554 2.559 30 10 JFEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1587922198 VGFWFYFNFIGYSJ-VWLOTQADSA-N 451.571 2.674 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1588030188 QHDIYWVSSWACSY-OAQYLSRUSA-N 484.670 2.882 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1588034096 BAIQWGRFHOZAQO-IBGZPJMESA-N 485.635 2.842 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588055544 XJWXVMFVAQEVEW-ROUUACIJSA-N 498.527 2.746 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nccc(C(F)F)n1 1588079429 XAMXVLGMYKRLOG-UHFFFAOYSA-N 469.883 2.710 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN(C)C1CCCCC1 1588251887 ZCTFZCPOFGPHKL-UHFFFAOYSA-N 452.628 2.997 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN1CCN(CC)CC1 1588482950 ZDXWCDWNXIISCD-OAQYLSRUSA-N 478.620 2.731 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1588806238 KMFOMHUSYFDZHK-MJGOQNOKSA-N 464.467 2.606 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1588876836 KTBOKZVVWSOHRL-MYDTUXCISA-N 486.705 2.840 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1593741719 VZSZHZIZISTVIP-SFHVURJKSA-N 472.615 2.591 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCO[C@@H]1C 1595239802 SVJUACYTWAHCAB-BWKNWUBXSA-N 450.587 2.915 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595477687 XLTMPSOIZZHJES-PWIZWCRZSA-N 475.977 2.758 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1595522736 JFUHZPKKBRELDB-UHFFFAOYSA-N 463.498 2.598 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595577403 RMIQOSCAUXPYMG-IBGZPJMESA-N 484.601 2.913 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1595613711 HAMYUQQDKHAZGV-RBBKRZOGSA-N 489.642 2.898 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCC[C@@H]2C)C1 1595730931 ZZYQMQLARJHGJW-ZDQHKECQSA-N 491.633 2.919 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCN2CC)C1 1595745879 YJZPYCQIPJRCJL-RBUKOAKNSA-N 458.632 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1595798825 UKHPWSUUTIMGJI-IBGZPJMESA-N 493.655 2.581 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595804873 HMLUQDZEQDIERX-MFEFFIJZSA-N 496.580 2.521 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1596249750 JLMVWBNOHNCTAO-UHFFFAOYSA-N 497.600 2.702 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1598235319 FBZOYQOEZKBTOD-SANMLTNESA-N 495.628 2.864 30 10 JFEE C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1ccc(F)cc1 1611583692 HQLGZWGUCMLKOY-UWJYYQICSA-N 490.605 2.684 30 10 JFEE CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1614373705 IEZMFGCSQYEAPR-KRWDZBQOSA-N 462.645 2.820 30 10 JFEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CCC(C)CC1 1619061713 FXKVACDXYMTPDO-UHFFFAOYSA-N 475.615 2.805 30 10 JFEE COc1cc(-c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)ccc1OC(C)C 1619077313 DVGWZBUJUYUWAA-UHFFFAOYSA-N 482.585 2.730 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](O)c3cc(Cl)c4c(c3)OCCO4)n[nH]2)c1C 1630001072 HJBHDYOFXJQVPD-GOSISDBHSA-N 457.918 2.964 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)CO)ccc1Cl 1635477271 SCPFGTLISZIGTQ-HNNXBMFYSA-N 454.335 2.989 30 10 JFEE C#CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CCOCC1 1638615174 BUWXUOXBXIZRTM-UHFFFAOYSA-N 456.520 2.561 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)n2N)c1 1651711192 GXOIKDDXLMPIRO-UHFFFAOYSA-N 450.524 2.609 30 10 JFEE CCOC(=O)c1c(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(C#N)cn1CC 1671036643 DZNDNHRTHNKBBZ-LJQANCHMSA-N 457.506 2.890 30 10 JFEE CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1686076689 ABHKDLSLIJIRLE-QFIPXVFZSA-N 455.522 2.597 30 10 JFEE C=CCCSCCNC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1686988018 BVKUOTUGPIZNKP-GOSISDBHSA-N 454.637 2.797 30 10 JFEE C#CCCCCn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1689892272 BLMUNMDJSLQUGA-QYZOEREBSA-N 493.674 2.797 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1690190082 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2328729978 MGMWUXDOOBKTFS-UHFFFAOYSA-N 453.524 2.521 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(O)cc1 2330726833 MMNPJPNSHHJBAA-UHFFFAOYSA-N 452.540 2.850 30 10 JFEE Cn1ncc(I)c1CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339430063 DBUNIIONRQOZAT-UHFFFAOYSA-N 474.539 2.984 30 10 JFEE COCCN(CCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1)C(=O)OC(C)(C)C 2339825487 QWMWQYIIGFGTKD-UHFFFAOYSA-N 452.357 2.652 30 10 JFEE Cc1nc(NC(=O)[C@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2359383251 ARFOFSUPZKTSEV-YQQAZPJKSA-N 458.368 2.811 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2362351711 ITDVRGLWHSYULD-VQTJNVASSA-N 450.392 2.598 30 10 JFEE C=CCn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nc2sc3c(c2c1=O)CCC3 11150399 PAKSZEBETNIJCB-INIZCTEOSA-N 476.668 2.698 30 10 JFEE COc1ccc(NC(=S)/N=C(\NCCCN2CCOCC2)Nc2nc(C)cc(C)n2)c(OC)c1 14158324 IBJSGKIXKBXEAV-UHFFFAOYSA-N 487.630 2.587 30 10 JFEE O=C(CSc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1)NCc1ccco1 20479681 RMFNIIDNAPFAEO-FBCYGCLPSA-N 451.306 2.720 30 10 JFEE C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 36309089 GECHBLIUADRXSI-QPPBQGQZSA-N 468.619 2.976 30 10 JFEE COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)OC)cc2)S/C1=N\c1ccccc1 58943439 SZHXNCGBQMOLCI-KAMJJXHCSA-N 455.492 2.607 30 10 JFEE Cc1cccn2c(=O)c3cc(C#N)/c(=N/C(=O)c4cccc(F)c4)n(C[C@@H]4CCCO4)c3nc12 102742590 TTZMUIYVFLDKET-IWTXQQRDSA-N 457.465 2.889 30 10 JFEE C=CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C 252586390 POVPBCVDLIEOSH-AGDODRLASA-N 479.577 2.665 30 10 JFEE biogenic C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 513633854 RGTGEDMRWFDKPR-QGZVFWFLSA-N 450.538 2.980 30 10 JFEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(O)cc1 526705859 XMTGNGGSAOCMKF-OAQYLSRUSA-N 480.498 2.831 30 10 JFEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)N2N1 588225027 IDLMAPWFIGOFOU-OAQYLSRUSA-N 459.487 2.917 30 10 JFEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729673259 VXAYKMKGFUUHAR-UHFFFAOYSA-N 497.605 2.951 30 10 JFEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCn2ncc(C(=O)O)c21 757569080 KIDJEHVHWMRKTE-JOCHJYFZSA-N 470.485 2.859 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3cccc(OC)c3o2)c(=O)n1-c1ccccc1C 917355257 DAAJHDQIXAXIKM-UHFFFAOYSA-N 471.538 2.768 30 10 JFEE CC(=NNc1nnc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1N)c1ccccn1 1083892674 JKURWTLWWWVNOV-UHFFFAOYSA-N 466.449 2.852 30 10 JFEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(Br)cc3)n2N)cc1 1083903883 BOVZDTRVQDDMMP-UHFFFAOYSA-N 474.388 2.917 30 10 JFEE COc1ccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)c(OC)c1 1084116039 URNPSFDYGKSYTH-UHFFFAOYSA-N 470.511 2.770 30 10 JFEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 1084119175 FLOZEUJOIVUBPP-UHFFFAOYSA-N 466.930 2.580 30 10 JFEE CCOc1cc(/C=C2/S/C(=N\C)N(C)C2=O)cc(I)c1OCC(=O)OC 1084348464 OISUVTZNSLBCRC-UGWNOKQLSA-N 490.319 2.774 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CCOc4c(cccc4C(=O)OC)C3)ccc2c1=O 1157672117 JKYQRBDIADBFAJ-UHFFFAOYSA-N 451.504 2.693 30 10 JFEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C(C)(C)CN2CCOCC2)cc1 1171057509 CJXFFRSQIUVKQY-UHFFFAOYSA-N 453.587 2.956 30 10 JFEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C2 1217007659 AIUSCHSHQSZPLF-UHFFFAOYSA-N 454.430 2.955 30 10 JFEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1286315813 ODXCCRFBLSNXKM-QGZVFWFLSA-N 478.366 2.992 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1286388915 CROSSXYMQSTRCA-KRWDZBQOSA-N 471.533 2.796 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C(C)(C)C 1286418955 UHJUPRRUYQXJFD-UHFFFAOYSA-N 459.392 2.671 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNC(=O)c1cc[nH]n1 1286419964 IYTTUHIOWHDFIS-FQEVSTJZSA-N 459.554 2.651 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(Br)n1 1286443070 XJUALMSRMPCFEQ-UHFFFAOYSA-N 488.415 2.904 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286500340 RBZAYXIJCFFVOK-UHFFFAOYSA-N 489.605 2.922 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@H](N2CCCC2=O)C1 1286510556 WQSXQDQKQWCFBY-FQEVSTJZSA-N 453.612 2.987 30 10 JFEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286710512 ZCMXJLVPJXWJDM-NHCUHLMSSA-N 458.651 2.765 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1286727510 RXKNMEIFCKOMTB-DLBZAZTESA-N 491.511 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1286819511 MVMHLBXDNUYAJY-KRWDZBQOSA-N 483.598 2.575 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286823195 MGNAXKXCMOXUBX-WMLDXEAASA-N 492.495 2.753 30 10 JFEE CC(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1287255525 FDLQUKIZRBGIQW-LJQANCHMSA-N 456.616 2.971 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1300498038 GCDGBLYEUUJFCJ-SFHVURJKSA-N 453.033 2.902 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300502023 PMRNCIILLJTJDO-UXHICEINSA-N 491.658 2.504 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1300682823 KCVIIMPDFCYZHL-OAQYLSRUSA-N 450.631 2.804 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1300697370 BPDQPFBFNFNVHM-DEOSSOPVSA-N 466.630 2.654 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 1300868544 FDJWSZVANQTLNL-RXVVDRJESA-N 459.978 2.875 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1300974181 DVFWZEHQOWNPQC-WBVHZDCISA-N 463.380 2.876 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1300975293 SNXTYXKHGRZBDI-GOSISDBHSA-N 454.531 2.941 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1301363476 UMUHYEPBFMRVCL-UHFFFAOYSA-N 473.628 2.581 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301506529 MIGWTAKBEYIWAU-LJQANCHMSA-N 454.575 2.583 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301531436 MKJDOJIBWHBRNI-IEBWSBKVSA-N 460.600 2.797 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1301587435 OOWQORHCPDQWFI-SFTDATJTSA-N 459.616 2.508 30 10 JFEE CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1302016024 IADLIWPLRMOTOT-FQEVSTJZSA-N 475.601 2.877 30 10 JFEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@](C)(O)CCOC)cc1 1305943389 BWZVGOHQMAGGQA-NIYFSFCBSA-N 490.612 2.672 30 10 JFEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1315754134 HYNTUKZEHZPDNC-XMMPIXPASA-N 480.594 2.517 30 10 JFEE C[C@H]1Oc2ccc(/C(O)=C(/C(=S)N=C3C=CC(=C(N)O)C=C3)[n+]3cccc(CO)c3)cc2NC1=O 1321498212 RBCIPNCCZGRKRM-CQSZACIVSA-O 491.549 2.692 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1358919552 FGCNHVLJMZKVIN-JXFKEZNVSA-N 480.034 2.905 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358961429 YZOKMLVQVLJBIQ-LJQANCHMSA-N 453.568 2.677 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc([C@@H](C)O)cc1 1358971517 YNAXUQUZLNIRTP-LJQANCHMSA-N 476.606 2.721 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)NCC(F)(F)F 1358989371 ZEOCCOHWRZEFAK-UHFFFAOYSA-N 453.852 2.749 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1359029130 PADPUPBLQYOXSY-UHFFFAOYSA-N 499.497 2.822 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCSc2nccs2)CC1 1359037910 CQSMNBZEKWZAKQ-UHFFFAOYSA-N 487.680 2.664 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(OCCN3CCCC3)cc2)CC1 1359041477 XQDYDENXUQHOJB-UHFFFAOYSA-N 478.641 2.890 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1F 1359090544 COJUALPKCVLOAK-QRFRQXIXSA-N 465.595 2.688 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCCC2)CC1 1359178796 CBOSZVIAWHSQNM-FQEVSTJZSA-N 451.637 2.984 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359183186 FOWQCLLCZAPEOE-QGZVFWFLSA-N 494.687 2.823 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCc2oncc2C1 1359294271 PHOBWICLIFHJCH-UHFFFAOYSA-N 461.295 2.700 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1359345998 XPDVUZWSEXMBEB-UHFFFAOYSA-N 462.583 2.765 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)C1 1360787858 FKSSVDUHUMNZMO-NRFANRHFSA-N 461.563 2.951 30 10 JFEE C#CCN(C(=O)c1coc(CS(C)(=O)=O)n1)[C@H]1CCOc2ccc(Br)cc21 1444119890 IADLQMKVGQRKDA-HNNXBMFYSA-N 453.314 2.581 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c1 1445082581 PCHJPVRHFRGQEV-VWLOTQADSA-N 451.592 2.726 30 10 JFEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)S(C)(=O)=O 1502179441 HGWCSSAWIXYDLD-SFTDATJTSA-N 472.615 2.636 30 10 JFEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CCOC1 1502681178 DAQICQGCOQHMJN-GOTSBHOMSA-N 478.569 2.772 30 10 JFEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)C12CCC2 1502942095 CGCSKBAPNBZLMV-UXHICEINSA-N 472.615 2.540 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2cccs2)C1 1503731083 BUTRSEYENFKOKI-BJKOFHAPSA-N 480.594 2.660 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCC(F)(F)F)c1 1507551588 FUSRIXNKQGVVSM-UHFFFAOYSA-N 462.476 2.799 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507630697 FUTXWNBJMPLKCH-QGZVFWFLSA-N 479.002 2.891 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(-n2ccnc2C)nc1 1507707398 WDTJVWDAGDICDD-UHFFFAOYSA-N 472.509 2.877 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1507736458 PNGCOPPZZBHIFK-GOSISDBHSA-N 464.570 2.762 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1507779216 LQZSUSQIMMYJDQ-HNNXBMFYSA-N 485.452 2.998 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507795476 LHOQNCWYKRHWNM-SQGPQFPESA-N 463.579 2.536 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507829452 YGYYRIHCALKKRN-SFHVURJKSA-N 468.558 2.790 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507910218 JMXMRCLWQAFNOW-NRFANRHFSA-N 457.667 2.721 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1507956986 JLEPCEYGHCXYFS-UHFFFAOYSA-N 463.542 2.550 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508048667 UGSODEBEAXBDHE-OAHLLOKOSA-N 496.431 2.907 30 10 JFEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1508051760 YGVOKPZMMNVKQM-UHFFFAOYSA-N 452.603 2.910 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)C(C)(C)C)C1 1508130653 XCBJRTQTDXMDOI-OTWHNJEPSA-N 490.649 2.992 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1508168414 QDGIOZUIKHHFSO-SFHVURJKSA-N 464.636 2.938 30 10 JFEE Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)OC(C)(C)C)CCO2)c1 1511414798 FMNCPQAFVQYJCB-OAQYLSRUSA-N 492.584 2.752 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)C[C@@]2(CCOC2)O1 1512495874 CJEWCWLGASYLPU-AVRWGWEMSA-N 498.584 2.638 30 10 JFEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCN1CCOC 1514375625 COYWEQLYSABGGA-DHLKQENFSA-N 452.603 2.915 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1515957402 AFOITJIKKHWAHI-SFHVURJKSA-N 466.586 2.753 30 10 JFEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C 1517816900 CHSAOQAYHRYWQM-NZQKXSOJSA-N 479.629 2.621 30 10 JFEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1518590506 CNBQNPIKEIBDNN-FQEVSTJZSA-N 473.599 2.701 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539045979 ZSWXCNUEQLMCBJ-QGZVFWFLSA-N 453.547 2.832 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539216238 PPXJONFNGSFCLP-FQEVSTJZSA-N 465.579 2.527 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1csc(COC)n1 1539392494 SDTGSCGMVLPNIO-UHFFFAOYSA-N 468.558 2.831 30 10 JFEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539454225 JOOLUNXGGHQHCO-NLFFAJNJSA-N 488.032 2.547 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)OCC)CC1 1539490568 XNWMALXBACLWHO-WOJBJXKFSA-N 459.635 2.978 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1539698153 LSRVGSXRQMRKQA-HIFRSBDPSA-N 458.510 2.970 30 10 JFEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(NC(=O)COC)CC1 1539801706 GRPSPOLKHZAUBX-UHFFFAOYSA-N 497.040 2.877 30 10 JFEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1539832234 RRYNHIAKDQZHLU-RBUKOAKNSA-N 456.595 2.659 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1540170776 QGHITSXFQFVQMK-QGZVFWFLSA-N 465.620 2.758 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1540859798 IZPVCLCZVHOOBV-UHFFFAOYSA-N 450.568 2.854 30 10 JFEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1541595713 ARTMIEDTABDAGJ-FQEVSTJZSA-N 498.653 2.725 30 10 JFEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)C[C@H]1OC 1555791104 GENUFYXFRDMIDG-AJSBUHFISA-N 468.602 2.699 30 10 JFEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCNC(=O)c2cccs2)CCO1 1555993627 AGGWHNYPPJPVPL-LJQANCHMSA-N 450.568 2.674 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 1556864835 ARRFRYSAHAWDDG-AWEZNQCLSA-N 451.470 2.945 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCN(CC#N)CC3)cc2)cc1 1565738049 FXFAVCGYIHMWOY-UHFFFAOYSA-N 454.552 2.655 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1587661444 BMXAWQUAIYIBMU-QHCPKHFHSA-N 491.684 2.749 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CN(CC(C)C)CCO1 1588124770 QLNXOLSACNRVBF-XMMPIXPASA-N 457.582 2.560 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nccn2C(F)F)CC1 1588968047 GDWQUNDQPWSTKK-IEBWSBKVSA-N 489.571 2.802 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1589151033 PYUMQPYYQGQPQF-JLTOFOAXSA-N 451.980 2.591 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1589404003 FIGBXJMKZCWJRX-QXAKKESOSA-N 495.466 2.508 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1)C1CC1 1595020882 PVQUQYGYAMKJFP-OAHLLOKOSA-N 473.578 2.725 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Br)ccc1OC 1595267543 XXOPNIFEPVTSIJ-UHFFFAOYSA-N 478.391 2.972 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)Nc2ccc(F)cc2)C1 1595745172 QRHTWQRKHLGXRL-FQEVSTJZSA-N 453.522 2.699 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CCN1CCOC 1614259804 AECCUBIGWOGVAK-DNVJHFABSA-N 482.629 2.827 30 10 JFEE C=CCOC[C@H](NC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C)C(=O)OC 1617951447 UYENSTZSHDLHPG-KRWDZBQOSA-N 450.333 2.785 30 10 JFEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 1662170527 HLFWAWXIPWBKDG-YJLNNSPDSA-N 458.374 2.589 30 10 JFEE C=CCCC1(CNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CCCC1 1677128651 OTJVGLNAQZHAAN-UHFFFAOYSA-N 450.385 2.737 30 10 JFEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1677920242 IUMIJHWXLCMITJ-QGZVFWFLSA-N 450.312 2.825 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1689986282 MIKBBPPCBIXCEJ-KRWDZBQOSA-N 470.624 2.769 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccccc1)N1CCOCC1 1690052467 JDPATQMXYPIEBN-VWLOTQADSA-N 471.609 2.676 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(N(C)C)CCCC2)CC1 1690133755 SEEPDBMJTJCNAR-UHFFFAOYSA-N 466.630 2.885 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H]2CCCCO2)CC1 1690152640 SLJVODLWYIEMFV-NRFANRHFSA-N 469.561 2.921 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1CCOCC1 1690255192 OHQXCVIWFOBSPS-YUMYIRISSA-N 461.651 2.946 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1690346098 KTGGBNFCVCYOTC-MJGOQNOKSA-N 466.991 2.737 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1690507838 YDLRKLKGDJTIIV-OAQYLSRUSA-N 466.586 2.563 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1690652360 GELAFCNIMGTKMC-UHFFFAOYSA-N 453.572 2.890 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1690668917 NHXVRAYDXHZALO-UHFFFAOYSA-N 484.605 2.511 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690725552 UPVSGBLHPCNUJM-SFHVURJKSA-N 485.576 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2cccc(C)c2)C1 1690732275 YFDOFNZDQGPGSI-FKBYEOEOSA-N 474.627 2.905 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690733544 HKBXXFUTBWAZMS-SFHVURJKSA-N 475.018 2.592 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690735861 KZOHCNYKWPDZBK-SFHVURJKSA-N 451.394 2.671 30 10 JFEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1690827315 ATIKSAFWSMWFPS-UHFFFAOYSA-N 497.600 2.654 30 10 JFEE CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)N(C)C 1694285106 BSZABRRPOKJBEJ-QHCPKHFHSA-N 490.660 2.947 30 10 JFEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(CC)S(C)(=O)=O)CC2)o1 1694577068 BRSZEWPFIRWASY-UHFFFAOYSA-N 497.625 2.974 30 10 JFEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1695201951 DDSZFXJUTJJZDL-HXUWFJFHSA-N 450.547 2.818 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(C)n(C)c2=O)c1 1705506536 AUQKZHFWAMSRKV-UHFFFAOYSA-N 460.582 2.978 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705507936 GTQAMLQKFHOXLU-JOCHJYFZSA-N 478.597 2.778 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(OCC(F)(F)F)c1 1705545211 SQCVXGZJCNMLQT-UHFFFAOYSA-N 479.484 2.802 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1705560255 FLQDRGBWMDBTSY-FGZHOGPDSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1705566600 PIQAIWLRJOCGOZ-SFHVURJKSA-N 455.609 2.979 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(CC)nn(C)c1CC 1705611079 OTRHJDHVRMIADE-UHFFFAOYSA-N 468.631 2.604 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccc(CO)c2)CC1 1705639516 PWJHBKKTTHIGPM-QHCPKHFHSA-N 494.640 2.688 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCC[C@@H]2C)CC1 1705650484 ROIPGVDXPVDBCY-IBGZPJMESA-N 483.686 2.864 30 10 JFEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705656632 DFAUEVNRVMMJMJ-UHFFFAOYSA-N 477.638 2.506 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705666037 LWKWIXGWEYIIOJ-HXUWFJFHSA-N 473.618 2.911 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1705675223 YVVCDJYFFGUVHD-MGPUTAFESA-N 467.517 2.829 30 10 JFEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705722279 DQDNYULBTONAFX-QFIPXVFZSA-N 469.590 2.661 30 10 JFEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705722735 XZZYSJAGBTZBLU-IBGZPJMESA-N 467.574 2.952 30 10 JFEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705886894 VJFNVDZBCSQHDY-UZLBHIALSA-N 460.529 2.721 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC(CC)(CC)C1 1705929979 CHOWDROAPAVPMK-UHFFFAOYSA-N 478.644 2.638 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1708632990 HVIWRHAVRKYPAX-LJQANCHMSA-N 489.628 2.518 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1708691308 DTERGJXCGQOTPO-ZJSXRUAMSA-N 454.623 2.946 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 1710375028 BOWAKANLVUANHZ-REWPJTCUSA-N 494.644 2.558 30 10 JFEE COc1ccccc1-c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](OC)C(C)C 1711958105 GLNAFWULNMSOJM-QFIPXVFZSA-N 478.601 2.865 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CCC2)c1 1722307294 LEYHFOYSWHXMBA-UHFFFAOYSA-N 497.646 2.954 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722357880 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C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722704455 TYWBQLCHSXCNGV-UUOWRZLLSA-N 487.626 2.656 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3F)C2)C1 1722711071 SADMVVAGYMNTJV-BRSBDYLESA-N 463.579 2.927 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 1722725815 STNPCUMSALNLDJ-UHFFFAOYSA-N 476.603 2.777 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722727280 JXBSIWBZQYXGNY-OAQYLSRUSA-N 484.626 2.983 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1ccccc1OC 1722727959 QRUIZFCTKWEFDC-IBGZPJMESA-N 456.572 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C(C)C)C1 1722729844 YTAXNTBQDTXKOM-QGZVFWFLSA-N 455.675 2.812 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(C)(C)C)C1 1722730363 PTIKNVSCQGJPMY-INIZCTEOSA-N 465.645 2.743 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1723923755 AMMZBFXWKGSTGK-KRWDZBQOSA-N 499.641 2.805 30 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30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 1286338337 LPDBREKQUIJOQH-UHFFFAOYSA-N 471.005 2.576 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286349615 KWSPDOOZQRJXHU-LBPRGKRZSA-N 458.428 2.915 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)cc1N1CCOCC1 1286378491 UGSFMIBOBWNALO-UHFFFAOYSA-N 464.595 2.532 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCCN1CCOCC1 1286401125 JKMIYFLEUPLCBM-UHFFFAOYSA-N 456.388 2.893 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCc1ccco1 1286459348 LIGPUIFLDDZGMS-UHFFFAOYSA-N 472.343 2.703 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)N2CCC(C)CC2)CC1 1286471977 CAGVUWZJODJMEG-SFHVURJKSA-N 474.451 2.911 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 1286494093 ZTKNJHUJYZSCFM-UHFFFAOYSA-N 490.564 2.674 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286503798 JKNJPFVRDFXRAT-UHFFFAOYSA-N 467.574 2.966 30 10 JFEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1286510037 ZQPDNJAEGYPXCN-RTWAWAEBSA-N 489.667 2.627 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1286601600 MZPLPPCMURLOHU-UHFFFAOYSA-N 472.565 2.677 30 10 JFEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1286785785 IOIVGWDBETZYCI-ZDUSSCGKSA-N 461.448 2.675 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(CCO)Cc1cc(Br)ccc1F 1286785927 UMMFYHXUWILJJK-UHFFFAOYSA-N 489.349 2.543 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2SC)C1 1286800257 ISSCCNZIMAHIEQ-WMLDXEAASA-N 469.608 2.579 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCCCCC1 1286822542 FNVALUBDDSXAHM-UHFFFAOYSA-N 451.618 2.641 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286825393 QMOKXZFOWRHOAM-OKZBNKHCSA-N 467.636 2.886 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N(CC)CC)c1 1300333855 DBPBUWZYZPGKNC-TZIWHRDSSA-N 452.603 2.959 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1300338697 FMUAGURSSQIEHJ-CABCVRRESA-N 472.036 2.985 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300481488 AOFYVFRYKKROJO-URXFXBBRSA-N 470.639 2.926 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1300555062 RTRULPPNUZTAIP-LJQANCHMSA-N 479.585 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2nc(C(F)(F)F)cs2)CC1 1300719723 NOOCGNOVTXYGNJ-UHFFFAOYSA-N 477.516 2.773 30 10 JFEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300751866 UXQDHAZAEREUFX-LJQANCHMSA-N 460.003 2.793 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300892574 UHXZPCKLHOXDGB-LSWJPFSZSA-N 474.627 2.894 30 10 JFEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1300984700 HIXJHRUKKJJRMV-UYAOXDASSA-N 452.559 2.602 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301127131 HUUKLCXQXFYRLL-GHVJWSGMSA-N 450.518 2.937 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1301188574 LBFNCGXTUXZVBR-SJORKVTESA-N 495.568 2.515 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1301604170 OBBMVGCTLJMOJD-UHFFFAOYSA-N 467.599 2.745 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301606322 MPPOCFOEMTVJEJ-UHFFFAOYSA-N 450.634 2.510 30 10 JFEE C=CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1311999731 MWZOMMLHZBJSMC-UHFFFAOYSA-N 451.495 2.746 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](c1cccc(F)c1)N(C)C 1314393192 AMFQFAMBLFAWCP-XMSQKQJNSA-N 493.591 2.633 30 10 JFEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1314943718 DACLUFJTYODPQP-UHFFFAOYSA-N 452.559 2.508 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)ccc1OC(C)C 1315304854 DXPQNLSGVCPVIP-SFHVURJKSA-N 468.558 2.515 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)Br 1358876596 NGVPWCRIULOCLA-GFCCVEGCSA-N 476.347 2.641 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1358908243 QPCWXGMFHIKBOZ-FQEVSTJZSA-N 450.543 2.868 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)cc1F 1358949415 BAJZOPYHVNOWLF-IBGZPJMESA-N 459.522 2.852 30 10 JFEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1358957445 UTBQOFYQHSLYLW-WZONZLPQSA-N 492.667 2.596 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1358984025 FSFPDVKQFCGOIS-LJQANCHMSA-N 456.591 2.526 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(F)(F)F 1359010557 SUXPICUPTLEVLG-OAHLLOKOSA-N 461.485 2.973 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCCCO1 1359015021 FGBZXEXSTKLBRV-XLIONFOSSA-N 463.579 2.626 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCN(CCC)CC2)CC1 1359037032 SARQXHXZCMLFCZ-UHFFFAOYSA-N 450.631 2.755 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)cc2C)CC1 1359043227 MLFJXRDSIZOAPJ-UHFFFAOYSA-N 459.598 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)N(C)C)CC1 1359043360 RCLUGNFURYZHKQ-INIZCTEOSA-N 473.419 2.624 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCOC(C)(C)C 1359054703 DMTHLDZFTAIWJK-UHFFFAOYSA-N 464.661 2.856 30 10 JFEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1359131363 RBKFAKKZVYCKJJ-UHFFFAOYSA-N 467.549 2.766 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359161159 RUSBSYBNITXHDI-FQEVSTJZSA-N 486.642 2.610 30 10 JFEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359285747 HYSNOELBNTYMKZ-IBGZPJMESA-N 468.602 2.671 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1359293237 KSYMCGYZAHMIHF-OAQYLSRUSA-N 475.597 2.760 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359305053 RKHOEENXEJTZIY-SJORKVTESA-N 493.395 2.714 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)N(C)C)C1 1359312095 NMSOZYJOSBEQFU-ZWKOTPCHSA-N 451.531 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1359335012 XHEUBOGSHVJWLL-QUCCMNQESA-N 490.655 2.768 30 10 JFEE CCn1c(CCC(=O)N(CCC#N)CC(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21 1435332462 CWMBBDIAISUMCJ-UHFFFAOYSA-N 459.494 2.544 30 10 JFEE C#C[C@H](NC(=O)C1CCC(NC(=O)COCCOC)CC1)c1ccc(Br)cc1 1436650372 BFROXERGVKQODL-KVZIAJEVSA-N 451.361 2.578 30 10 JFEE COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1c1ccc(O)cc1 1452458876 BEEKEDMNKGXKIX-LSTHTHJFSA-N 467.909 2.685 30 10 JFEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1452918050 CDTGCSUIPACADF-CVDCTZTESA-N 461.584 2.626 30 10 JFEE COc1ccc(N(CCC(=O)N2CCO[C@@H](C#N)C2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1464837935 AYDRJHFAKVXHOR-NRFANRHFSA-N 457.552 2.648 30 10 JFEE COc1ccc(Br)cc1C[C@@H](CO)CNS(=O)(=O)c1cccc(CC#N)c1 1475299385 AXLTUDXNKXLOTL-OAHLLOKOSA-N 453.358 2.653 30 10 JFEE CCCC(O)(CCC)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1500162701 HAFJHSHBYUGLIC-HXUWFJFHSA-N 489.628 2.972 30 10 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C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@]1(N2CCOCC2)CCSC1 1722361903 JTGMJILYNVBPGT-DEOSSOPVSA-N 455.628 2.697 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1722363874 HWPTVFKVSCNTFF-RTBURBONSA-N 470.624 2.655 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(Br)n1 1722372893 CDHOERUDMLROJN-NRFANRHFSA-N 458.360 2.597 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1722422761 UIRVLFOXCXWDRD-HXUWFJFHSA-N 470.574 2.554 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCC(OC)CC1 1722424842 BVEAGCFPJDWAKW-UHFFFAOYSA-N 474.631 2.529 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)N2CCC(C)CC2)CC1 1722432618 BMVRPCAEQUZYBA-LJQANCHMSA-N 488.478 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2scnc2C)CC1 1722443464 TUTXRTQHVBZDKZ-UHFFFAOYSA-N 494.621 2.936 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnc(CC)s2)CC1 1722447229 JQRMVANCXZHRIN-UHFFFAOYSA-N 485.564 2.575 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(F)CCC2)CC1 1722450578 NCIPEOBYDOKJPJ-UHFFFAOYSA-N 464.545 2.977 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722492589 CWHLYJVBDDWGEX-JBACZVJFSA-N 474.650 2.919 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1722499520 AAEZFQQUCFHCGS-OFVILXPXSA-N 483.613 2.750 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722529721 AIZMALMVCNLLSE-PZJWPPBQSA-N 471.602 2.712 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722531389 MRSLTJPROJTLFM-NRFANRHFSA-N 473.021 2.934 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722531847 ZBDGOOGGFFNPDV-HXUWFJFHSA-N 453.503 2.548 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722695928 VGYXXLYEFIDYEI-FQEVSTJZSA-N 485.976 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCc2ccc(Cl)nc2C1 1722726933 HAPCCHBWFVVACN-UHFFFAOYSA-N 458.975 2.860 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C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC(F)F)C1 1740973653 BHDQVLYIFMFWJC-NSHDSACASA-N 476.347 2.932 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC2(CCOCC2)O1 1743319088 BUJNTQVBSYRXPS-IBGZPJMESA-N 496.612 2.808 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1746480975 ASDLFVNCXKOBEK-FQEVSTJZSA-N 463.586 2.570 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748641142 DLEXTBPOIGUQGM-ZJOUEHCJSA-N 470.593 2.958 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748679599 GCVCOOMIZDCRES-ILWGZMRPSA-N 455.628 2.725 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1748719424 XQHVUNUXMAKGPT-FQEVSTJZSA-N 496.033 2.713 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1748812121 QJYPUUAGYGREAH-QGZVFWFLSA-N 471.608 2.588 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1748824763 SRTONFJVJRLXDH-LJQANCHMSA-N 460.600 2.526 30 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491.640 2.979 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286633359 JJZIMCNXQKQBLP-GOSISDBHSA-N 462.913 2.515 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1286720716 VRFOAEZPOBTRMU-QGZVFWFLSA-N 453.551 2.846 30 10 JFEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1286739153 QUWXMXDAJPOOHP-AEFFLSMTSA-N 465.620 2.940 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1286797000 ZGTLCAOQTSMVGY-FDDCHVKYSA-N 475.615 2.508 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([S@](C)=O)CC2)C1 1286805050 PPEZXKNHHMFKJF-HBIPHATFSA-N 468.421 2.739 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCc2ccco2)C1 1286806438 CGKIYAUJUZVALX-QGZVFWFLSA-N 457.481 2.838 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286833343 ZRNNBSJZDULLDO-MSOLQXFVSA-N 499.703 2.793 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1286844817 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469.611 2.898 30 10 JFEE C#CCSCCn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705665605 YMTRUZAVPMAVFQ-XXBNENTESA-N 474.631 2.836 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OCCN(C)C)c1 1705669494 OAGAYXZAJRMJGJ-FTJBHMTQSA-N 467.614 2.911 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1705698011 PDPDMFADJOFGMM-YSDSKTICSA-N 495.671 2.897 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705708686 FXWFHAKEDZCTQR-LEDOBFOHSA-N 480.569 2.987 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](SC)C(C)(C)C)CC1 1705781610 DKNCXZYHEIUMMG-MSOLQXFVSA-N 471.693 2.791 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705826120 ONEQKWDFBPTTDW-MRXNPFEDSA-N 454.980 2.823 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1705859284 OAQCQBMGCYEGSM-FQEVSTJZSA-N 480.594 2.943 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CC(=O)N1CCOCC1 1705861095 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471.425 2.746 30 10 JFEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690277177 GYZSESNKOBURNI-QGZVFWFLSA-N 455.588 2.677 30 10 JFEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690510621 AECKWRHLPJRIKR-UHFFFAOYSA-N 488.976 2.624 30 10 JFEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690600816 FPOHNDQBTHBRPM-SFTDATJTSA-N 473.647 2.522 30 10 JFEE C=CCn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653600 YIOYVYDMWSJTQS-HDICACEKSA-N 484.605 2.750 30 10 JFEE Cc1nccnc1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1693392233 GADUTFDSMUXTRE-HNNXBMFYSA-N 472.322 2.917 30 10 JFEE C[S@@](=O)Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1698332108 AITMJZBAVBKWSQ-YUYWZBKDSA-N 477.594 2.982 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(C)S(=O)(=O)CC 1705484075 ILWOLGMJZSPGRD-HNNXBMFYSA-N 453.996 2.737 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CN(CC(C)C)CCO2)c1 1705505407 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Cc1cc(C(=O)N2CCC([C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@H]3C(N)=O)CC2)nn1C 2297651060 YRPGUTINFBSRRD-OALUTQOASA-N 488.514 2.709 30 10 JFEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302944202 BOKXNWPKWMHEGD-PMACEKPBSA-N 450.601 2.655 30 10 JFEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315639361 BXTMCJKFNACYIM-UONOGXRCSA-N 451.398 2.960 30 10 JFEE CC(C)(C)OC(=O)NC1([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)CC1 2317406064 BWWQIIGTIAMITL-HXUWFJFHSA-N 463.644 2.700 30 10 JFEE O=C(Oc1cccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1)c1ccco1 2322615761 VUOODRLQGMSYIO-CQSZACIVSA-N 476.898 2.515 30 10 JFEE COc1cc(C=Nn2c(CCCOc3cccc(C)c3)nnc2SCC(N)=O)cc(OC)c1O 2326991766 YXFWONBOQLFXRA-UHFFFAOYSA-N 485.566 2.781 30 10 JFEE COc1ccccc1OCc1nnc(SCCO)n1N=Cc1cc(OC)c(OC)c(OC)c1 2328319782 SMGUCKMFZYFTRP-UHFFFAOYSA-N 474.539 2.858 30 10 JFEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC=Cc2ccccc2)CC1 2330950724 XQXZZIIOTGLMHN-JOCHJYFZSA-N 466.607 2.751 30 10 JFEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc(OC)c1OC 2331311194 BMWAAMLASPBICU-UHFFFAOYSA-N 469.567 2.775 30 10 JFEE COC(=O)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1 2332198082 GNTDSAMQVWHVQP-UHFFFAOYSA-N 463.450 2.603 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2337394954 SMWNKPBUZRVMSX-QLFBSQMISA-N 463.409 2.960 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2357998978 NPZTUWYNLYJKTB-FSDCSDTHSA-N 458.368 2.654 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2359274284 OZBWNOPYXXRTFS-IPELMVKDSA-N 478.420 2.520 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)(C(=O)O)C1 2364699542 LEPQYLBPKBLNKP-QHCPKHFHSA-N 458.320 2.700 30 10 JFEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364939784 SJZBBCPEIATVEE-KGLIPLIRSA-N 464.343 2.958 30 10 JFEE Cc1scc(C(=O)N2CCOCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2369523492 CUILUPKUCXUANZ-UHFFFAOYSA-N 478.420 2.818 30 10 JFEE Cc1ccc(C)c(N2CCN(C(=O)Cc3ccc(/N=C4\N[C@H]5CS(=O)(=O)C[C@H]5S4)cc3)CC2)c1 9860580 HWCDZWBDGDLJCP-JTHBVZDNSA-N 498.674 2.684 30 10 JFEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c1C 103105377 SPUGKTIHOVMTEC-MBDQKHHZSA-N 481.549 2.562 30 10 JFEE C=C(CC(=O)O[C@H]1C[C@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@H](C1)N2C)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C 238781153 VWKHLWKXXWUJID-XUJBDJJMSA-N 474.598 2.757 30 10 JFEE CCN(CC)c1c(/C=N/Nc2nnc(SCCC(=O)NC)[nH]2)c(C)nn1-c1ccccc1 253570924 OGOLFUANRFCKLT-OEAKJJBVSA-N 455.592 2.819 30 10 JFEE Cc1nn(C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)[nH]1 253573489 RLXZLYOEXGXMGI-FBCYGCLPSA-N 486.543 2.850 30 10 JFEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)O[C@@H](C)C2 499772087 KLTPPPIZDNBCJU-XJABCFGWSA-N 495.601 2.917 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1-c1ccccc1C 515687393 NFPANIKLHFHHED-UHFFFAOYSA-N 459.571 2.802 30 10 JFEE CO[C@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@](C)(C(=O)O)C1 757472302 WIFGFAMZOVVAKW-WGDIFIGCSA-N 462.502 2.619 30 10 JFEE C=CCn1cc(C=NNc2nc(SCCC(=O)Nc3cccc(N4CCCC4=O)c3)n[nH]2)cn1 1084411457 DGSALTWKJYKYJH-UHFFFAOYSA-N 479.570 2.881 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=C(C)c3cccnc3)n2)cc1OC 1084420355 BPKBMKCEOTZXJF-UHFFFAOYSA-N 455.544 2.504 30 10 JFEE CN(C)S(=O)(=O)c1cc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1Cl 1127993807 IEZMCIFZILHJSR-UHFFFAOYSA-N 457.943 2.792 30 10 JFEE C=CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1154301324 LXVKEPROYAAHFB-NRFANRHFSA-N 459.587 2.728 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CSCCS1 1286276790 SWAJJQAUQXRNHF-GOEBONIOSA-N 464.686 2.853 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1286384644 JGMXQUJWVNDTDM-NRFANRHFSA-N 466.611 2.631 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1286476887 IIKRTSOCHPADKW-UHFFFAOYSA-N 471.487 2.618 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CN2CCCCC2)CC1 1286487618 OYCIVTVIIFRAIZ-FQEVSTJZSA-N 493.612 2.941 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCCC[C@H]2C)CC1 1286651821 MOUIOHOURYWBST-MOPGFXCFSA-N 452.669 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286816399 KMYQLZJWQXWXOY-UHFFFAOYSA-N 489.001 2.627 30 10 JFEE Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)n1 1290665861 APAIPLWAPCQHLS-HXUWFJFHSA-N 462.606 2.757 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1298285016 ADFBEDLPTUPKFL-RTWAWAEBSA-N 486.642 2.945 30 10 JFEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1300394883 UWMVJHQJQXUHCF-UHFFFAOYSA-N 466.405 2.511 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(NC(C)=O)nc1 1300536128 RKWCSCDDCFHLHG-UHFFFAOYSA-N 491.596 2.867 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1300709941 MBGNGUDSESSSNS-OFVILXPXSA-N 465.598 2.992 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1300732349 MMOURZYIFWUNQF-UHFFFAOYSA-N 456.616 2.865 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1300763479 PYMQFVYOPTYLME-FQEVSTJZSA-N 474.652 2.939 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1300829858 BFZXXZHFTYLBQS-MRXNPFEDSA-N 476.379 2.504 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300833104 UFTOABSNLJTCCE-QGZVFWFLSA-N 474.319 2.864 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1301151319 LXFDLSHDOBMGIK-OALUTQOASA-N 488.633 3.000 30 10 JFEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301218287 LVPFYRJGFZNQSP-UHFFFAOYSA-N 455.588 2.569 30 10 JFEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301278783 QSGYHHUJCUZVJJ-MJGOQNOKSA-N 460.560 2.680 30 10 JFEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1301458089 CQIOZCWVESTIRT-KRWDZBQOSA-N 458.557 2.902 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(NC(C)=O)CC1 1301484184 CQBGSWJWMXOHHP-OAHLLOKOSA-N 456.616 2.539 30 10 JFEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)c1nccs1 1303721477 DTEAQHPTIYYDDG-CRAIPNDOSA-N 456.597 2.948 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)c1cccc(OC)c1 1305521967 GAVRZTUYZLUYGM-IBGZPJMESA-N 488.596 2.823 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1313967178 CENPGHIFLSVETR-UHFFFAOYSA-N 476.560 2.840 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ncc(CC)s2)CC1 1313993354 DWKMSNSPIRCQOF-UHFFFAOYSA-N 464.599 2.930 30 10 JFEE CCOC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1314040894 CJLGFNQOMLMIJO-UHFFFAOYSA-N 474.569 2.939 30 10 JFEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2c(F)cccc2Cl)C1 1316353281 AOSAVGGZLLTPNN-IBGZPJMESA-N 496.996 2.582 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358895196 FENIPKWYGBZBRE-MJGOQNOKSA-N 451.493 2.621 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358898602 WTUPLVOCTDTNLL-MSOLQXFVSA-N 464.549 2.955 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)C)c1 1358902784 ZDUPXDBCKQEOLZ-IBGZPJMESA-N 457.600 2.673 30 10 JFEE C#CCCCn1c(N2CCN(Cc3ccccc3OC)CC2)nnc1[C@@]1(OCC)CCOC1 1358936358 LOUKYAJXRNVADN-RUZDIDTESA-N 453.587 2.674 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358966557 RLHNWHOTEFCJTI-GOTSBHOMSA-N 469.655 2.564 30 10 JFEE C=C(Br)Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359088522 MTHJTSGVHFYXSV-OAQYLSRUSA-N 484.439 2.968 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359189368 IRILEUMATBUROG-UHFFFAOYSA-N 464.614 2.707 30 10 JFEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359209330 KCEYBNCGTCFRRL-UHFFFAOYSA-N 458.994 2.546 30 10 JFEE 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2.692 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705568917 ANXYBYBPIFMVQY-HNNXBMFYSA-N 478.587 2.853 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1705620955 MBBKFNVKIYWPCW-UHFFFAOYSA-N 482.560 2.658 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1705620979 MNFCASYXDLRKNA-YADHBBJMSA-N 453.587 2.979 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3ncccc3c2)CC1 1705644573 VOVPCTCEMYTFGY-UHFFFAOYSA-N 487.608 2.759 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705663878 GFGCMPKIAXYUTK-SFHVURJKSA-N 472.684 2.947 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705663881 GGKYPQIERUMWEH-LJQANCHMSA-N 464.595 2.590 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N(C)C 1705669877 ZJQVXANXKGBPID-HSZRJFAPSA-N 452.584 2.685 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(=O)(=O)CC 1705745260 FABFRHQVNYAYSE-UHFFFAOYSA-N 450.790 2.670 30 10 JFEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 1705767370 KUUZFMDMFHOKRJ-UHFFFAOYSA-N 499.641 2.720 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CCS(=O)(=O)N1CCSCC1 1705865151 RUZPAZHCRFHAKW-UHFFFAOYSA-N 453.609 2.551 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705906894 RVLUXVUTVAHLMP-UHFFFAOYSA-N 475.475 2.703 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1705907269 GGTUJGAHTQGQBI-UHFFFAOYSA-N 451.575 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1705935943 HBRGYECVRZPGBD-FGZHOGPDSA-N 479.691 2.721 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccsc1Br 1706878313 FUKNBNPFGSSWQM-YVEFUNNKSA-N 487.449 2.891 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722338429 HULDECICAZUWEW-BKMJKUGQSA-N 492.668 2.864 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1722361474 NMIDRRKEACEJOG-QZTJIDSGSA-N 455.584 2.868 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@@H](C)C1 1722398652 GRFKQCQRTHYVRK-DQEYMECFSA-N 474.653 2.921 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)COCCO1 1722400210 JTEHYMNQXWNHLD-RUZDIDTESA-N 471.602 2.661 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1CC1CCS(=O)(=O)CC1 1722417687 PMDWKOJCUQARHZ-UHFFFAOYSA-N 489.617 2.800 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)(C)C)cs2)CC1 1722442067 XAAWDPAINJEVJK-UHFFFAOYSA-N 452.632 2.697 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CC1 1722443691 ZIMWSLOBFMXKNB-UHFFFAOYSA-N 468.565 2.680 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(SC)cc2)CC1 1722443881 OMLRWCBYKXQNMJ-AREMUKBSSA-N 497.665 2.861 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1722450257 BCLSZFWFOQVQLD-UNMCSNQZSA-N 465.598 2.804 30 10 JFEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1722483438 GZGOUSMKVJSKJQ-AWEZNQCLSA-N 487.358 2.583 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1722486627 BBQXSILESBYITP-INIZCTEOSA-N 493.450 2.784 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722523193 GDSDDSSFGZLACA-LAUBAEHRSA-N 450.992 2.594 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCCCC2)CC1 1722542521 CFBRYNVXNYJXQH-KRWDZBQOSA-N 459.060 2.733 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722598631 LVFXJQNPXQTGSF-UHFFFAOYSA-N 451.510 2.537 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1722609489 XBXXIEDOVUPZEL-UHFFFAOYSA-N 456.978 2.934 30 10 JFEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722620084 BZXJTUGIWNMMKN-IBGZPJMESA-N 452.559 2.858 30 10 JFEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722621143 VZTDXXMURFCRGN-NJDAHSKKSA-N 458.651 2.906 30 10 JFEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722626839 IQCHSLVSIQUSFN-IXFSTUDKSA-N 475.615 2.635 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN1CCN(C(C)=O)CC1 1722661128 UPDULWXGSDGESN-JOCHJYFZSA-N 456.566 2.625 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1722672410 PTPIXTZWFNJEEU-OAQYLSRUSA-N 452.584 2.652 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1722694996 ORWXKMXECSMEGO-WIYYLYMNSA-N 463.586 2.640 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C(C)C)CC1 1722695590 IWKKFXOGIKIBSB-UHFFFAOYSA-N 465.385 2.859 30 10 JFEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)N3CCCC3)CC2)cc1 1722704988 RCMKGBCRHXYSSC-UHFFFAOYSA-N 454.575 2.766 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1722705486 ZHSCJXLXBIKJJW-HXUWFJFHSA-N 455.584 2.923 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)C1 1722819247 BZZQBSBGJULLAH-DUXKGJEZSA-N 452.559 2.506 30 10 JFEE CCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1728238672 ICHUGEWETMSWLK-HXUWFJFHSA-N 450.547 2.806 30 10 JFEE 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DQYQCYUWOLEQFF-SFHVURJKSA-N 472.615 2.648 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(OCCN2CCCC2)CC1 1740955913 ILVASWCMAMWHIC-UHFFFAOYSA-N 473.021 2.982 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740962386 BUZKWLAQNYZVKG-SFHVURJKSA-N 474.631 2.926 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCC[C@@H]2C)C1 1740973999 IDVIFKJQXWDOKL-GWJPWWOOSA-N 460.600 2.681 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1741710417 CWCPQVWAGMPUDS-NRFANRHFSA-N 472.615 2.540 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1742656094 DKFTWJCIDBWOEM-ZDUSSCGKSA-N 462.377 2.897 30 10 JFEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCC1 1744312430 AIPWIGYARKPEEV-UHFFFAOYSA-N 465.602 2.519 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1 1747404528 DDWCRHRIDRLBCI-UHFFFAOYSA-N 472.615 2.527 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748650272 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C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283980700 CVSCMQUJAXMULZ-CRAIPNDOSA-N 460.380 2.539 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](n2ccc(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)n2)C1 2284038544 IUJMYDAAXZGDHP-KRWDZBQOSA-N 458.368 2.820 30 10 JFEE CC1(C)OB(c2cccc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2F)OC1(C)C 2284466407 WZAKQVSPVPYDQR-KRWDZBQOSA-N 457.307 2.915 30 10 JFEE COc1ccc([C@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)cc1 2297060304 OGLDNQHYPIFIKC-DEOSSOPVSA-N 490.560 2.795 30 10 JFEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302961136 UYVQSCMRKIBWDT-VQTJNVASSA-N 450.601 2.655 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315683487 IACGAZSOKCSWHW-UKRRQHHQSA-N 451.398 2.866 30 10 JFEE COc1ccc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c(OC)c1 2327892863 YEADWPBLKSTYMI-INIZCTEOSA-N 461.588 2.766 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccccc1F 2330793150 CWITYYHGYKPCBP-OAHLLOKOSA-N 454.531 2.905 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1C 2337186621 VPDNXFDENYGQMN-LJQANCHMSA-N 482.390 2.559 30 10 JFEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2359268339 INELDFZMIQFJIF-IWFBPKFRSA-N 451.376 2.833 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]21 2359391249 QQFRFHYXLJAVPW-VGWMRTNUSA-N 477.436 2.998 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)[nH]1 2362162694 VTUSZHWFGLCCPI-GOSISDBHSA-N 459.396 2.692 30 10 JFEE C=CCn1c(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1C(C)C 59911014 NFKBMJYSRZIODV-UHFFFAOYSA-N 479.628 2.729 30 10 JFEE COc1cc(/C=N\N(CC(=O)O)CC(=O)O)cc(Br)c1OCc1ccccc1 169880681 QPKDOIOFGBNTMH-NKVSQWTQSA-N 451.273 2.842 30 10 JFEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(O)c2)c1 170111805 OCGMYHGJZWCVLN-NRFANRHFSA-N 456.495 2.558 30 10 JFEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccccn1 170353573 MTXSRABCUXCSIQ-FQEVSTJZSA-N 483.477 2.660 30 10 JFEE COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c1 170431136 MRMASPPECGHHEJ-HXUWFJFHSA-N 465.487 2.521 30 10 JFEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)N2CCC[C@@H](C)C2)cc1 585673771 SDOXFFUWGOXSHH-CCDQGXECSA-N 462.506 2.902 30 10 JFEE C[C@@H](C#N)CN(C)C(=O)c1cc(I)cc(I)c1O 701293064 QNEKYGBPIJZFQW-ZETCQYMHSA-N 470.048 2.833 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 731021003 YBDWQEPHZGCWIN-KRWDZBQOSA-N 451.589 2.918 30 10 JFEE COc1ccc(CCN/C(=N/CCCCN2CCN(c3ncccn3)CC2)NC(C)(C)C)cc1 912509926 UWODTZBLZFYRSJ-UHFFFAOYSA-N 467.662 2.964 30 10 JFEE NC(=S)NN=C1C(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 1080436692 WNPGUTHSTBCQMA-UHFFFAOYSA-N 455.849 2.881 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 1125086430 GACQZKHEENHUEP-UHFFFAOYSA-N 455.536 2.898 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)[C@H](O)c3cc(OC)ccc3OC)ccc2c1=O 1154350950 ZWNKSQSDEWLHCT-XCLFUZPHSA-N 455.536 2.740 30 10 JFEE CC1(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 1160327707 BQNGPASRHZHNKR-UHFFFAOYSA-N 454.962 2.962 30 10 JFEE C#CCOc1cccc(NC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1215274031 YZZJYGKJIKSIPZ-FQEVSTJZSA-N 456.543 2.774 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H](C(F)F)N1CCOCC1 1286272438 BWGGHLGFKQDNNX-ZBFHGGJFSA-N 485.377 2.860 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1286369468 REUBVXIRCACXBJ-UHFFFAOYSA-N 490.656 2.579 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286397441 ZKFIPMLJWQOYRB-FPOVZHCZSA-N 488.610 2.602 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[C@H](O)C1 1286432271 CWNOJHJUEROABO-RSXGOPAZSA-N 474.653 2.657 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)CC1 1286474175 DFYIIOCMKREDMP-UHFFFAOYSA-N 457.991 2.765 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286514747 OFXRTKHJWVMMNQ-YOEHRIQHSA-N 470.521 2.604 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CC)C1 1286530850 FUMNTBWGXLNFFY-HNNXBMFYSA-N 455.378 2.872 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286556208 BRDBQCGHIUBRGJ-ZJOUEHCJSA-N 453.653 2.566 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1286572909 CSICTLAXPSRPSP-LJQANCHMSA-N 465.602 2.798 30 10 JFEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC(C)(C)C)CC1 1286660472 MRCUYNUNGNCTQO-UHFFFAOYSA-N 463.586 2.899 30 10 JFEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1286705097 QEAGCSADHZDZNO-SFHVURJKSA-N 482.651 2.834 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1286802460 BJNMXWNKTDXXLT-NTKDMRAZSA-N 459.566 2.965 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@]3(CC)CCC(=O)NC3=O)cc2)c1 1292049244 LFWBKEGQZGENFG-XMMPIXPASA-N 452.532 2.820 30 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30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1301508120 DXWMEDUHWNMKNI-NRFANRHFSA-N 453.587 2.627 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCS(C)(=O)=O)C1 1301558067 STXUGOPAOVVRKP-OALUTQOASA-N 497.662 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC)[C@@H](C)C1 1301575834 KVTFMBDCIHOXMH-INIZCTEOSA-N 469.558 2.678 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1301613472 YUQOFBORRLNXTH-IBGZPJMESA-N 455.694 2.656 30 10 JFEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1302171816 CNKRFXDWKZJZHN-QFIPXVFZSA-N 484.670 2.885 30 10 JFEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)cs1 1315868305 GCQMLYBGLCLXFO-GOSISDBHSA-N 451.556 2.573 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2cccnc2OCC(F)F)cc1 1316529559 CWIJRTVSSSAAGR-KRWDZBQOSA-N 467.480 2.606 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCN(C(C)=O)CC1 1358872569 WEYSEOOZLGNPNI-FPOVZHCZSA-N 452.603 2.657 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2CN(CC(C)C)CCO2)c1 1358902885 CUJWSCINTAIFRS-HSZRJFAPSA-N 464.614 2.644 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cn(CCCC)nc1C 1358946333 QWWHPEMUTLKHIW-UHFFFAOYSA-N 454.604 2.661 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC(C)(C)C)nc1 1358946484 WMUOXLPFBWIHRR-UHFFFAOYSA-N 467.599 2.928 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961232 UVGQNVSNADURGA-UPVQGACJSA-N 494.665 2.776 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358964728 GEHCGTUUVPTLJS-BAYUQKDNSA-N 474.602 2.838 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358965738 AHDOOYCNKSDNEL-BJKOFHAPSA-N 483.682 2.955 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358965829 BQXKJBMXRUCHJC-LJQANCHMSA-N 485.635 2.914 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCO[C@H]1CCOC1 1358971672 FAGULMPTHLQZIM-SFHVURJKSA-N 473.371 2.985 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1358984040 GAKUNZACLVKMPR-UHFFFAOYSA-N 463.582 2.972 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(C)C)c2)CC1 1359043871 MHHFPFWLAZNHNJ-UHFFFAOYSA-N 473.581 2.784 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2csc([C@H](C)OC)n2)CC1 1359044090 VHWIGIALGVKYIJ-INIZCTEOSA-N 465.583 2.518 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cccnc2OC)CC1 1359047860 WDZPAEGBKSIBID-UHFFFAOYSA-N 488.592 2.837 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1359084996 YHKWMNBWHSWNPD-SJLPKXTDSA-N 497.415 2.675 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1359089520 KLSSUWQKBYHXDY-JKSUJKDBSA-N 496.410 2.841 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1359106264 ZMTKMSXXYORUKE-UWJYYQICSA-N 478.640 2.795 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1359199407 USGXRYNFVJBXSP-SFHVURJKSA-N 461.588 2.551 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30 10 JFEE Cc1cc(N2C[C@H]3CN(C(=O)[C@@H]4SCC(=O)N(C(C)C)[C@@H]4c4ccc(C#N)cc4)C[C@H]3C2)ncn1 1889660872 XSSYUQNIGMEVRQ-RRJCBXKSSA-N 490.633 2.645 30 10 JFEE O=C(NCC#CCN1CCc2ccccc2C1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 1891289884 OJCZVOGWFPHRGT-UHFFFAOYSA-N 456.502 2.596 30 10 JFEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3)CC2)c1 1892321400 KPLAKNQUODAERH-OAQYLSRUSA-N 458.971 2.714 30 10 JFEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]2(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 1892744023 MBXRHOQGYOPRQZ-QRQCRPRQSA-N 467.563 2.864 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCn1cc(I)cn1 1963661611 UBMQSEGOKKXOGC-CQSZACIVSA-N 475.331 2.581 30 10 JFEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNc2cc(Br)cnc2C#N)C1 2167616934 NHOGRKXIAUXUSS-CYBMUJFWSA-N 459.366 2.552 30 10 JFEE CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2180968557 QSRWELDSWWOZTH-UHFFFAOYSA-N 459.396 2.913 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2200964999 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30 10 JFEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CSc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866247 UQOOQVZUUMZILE-CVEARBPZSA-N 492.451 2.630 30 10 JFEE CC(=O)Nc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253566544 JBQVLLBWFCKDLS-AWQFTUOYSA-N 499.469 2.756 30 10 JFEE O=S(=O)(c1ccc(Cl)c(NC(=S)NN=Cc2c(F)cccc2F)c1)N1CCOCC1 254816514 HQEQKLKTLLHSOM-UHFFFAOYSA-N 474.942 2.960 30 10 JFEE aggregator CN[C@](C)(C#N)CCCCn1cnc(I)c1I 310139271 ADTWNNHKCGCACT-NSHDSACASA-N 458.085 2.764 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)OCCOc3ccccc3)cc21 586302457 OQMQLOIULKWIOW-JSRFKQPZSA-N 471.531 2.540 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)c3ccccc3OC)sc(=Cc3cscn3)c2=O)c1 726582320 DTPBPRSFKMYHPJ-UHFFFAOYSA-N 469.547 2.731 30 10 JFEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C(=O)O)CC1 757205999 CJORAUFVVYFILU-QHCPKHFHSA-N 476.529 2.745 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCS[C@H](C(=O)O)C1 757428832 RXKBTGCBRPSFPJ-VXKWHMMOSA-N 464.543 2.946 30 10 JFEE COc1cc(NC(=O)CSc2nnc(NN=Cc3cccc(Cl)c3)n2N)cc(OC)c1 1083892671 JAUXXPNBEYZVSA-UHFFFAOYSA-N 461.935 2.839 30 10 JFEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)s1 1084245733 AUJJSECVZBIMAR-UHFFFAOYSA-N 452.595 2.722 30 10 JFEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(CO)COC1 1137698830 KWIWMPKZWKCJED-QHCPKHFHSA-N 450.535 2.985 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 1159325556 YEPGKVNCYGUWEN-HRAATJIYSA-N 459.543 2.772 30 10 JFEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)[C@H](CO)C1 1161344222 KSHUFBGMOVVXTQ-YRUKQIKQSA-N 450.535 2.672 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cn3cc(Br)cc(C)c3n2)n1 1225949538 SMHZEKQMDTUULF-UHFFFAOYSA-N 459.348 2.593 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1286324034 NTFIMNJWVMYXOH-RBBKRZOGSA-N 472.611 2.788 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nccs1 1286411093 YTFBFWANNDSHKS-SFHVURJKSA-N 470.599 2.749 30 10 JFEE 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C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(SC)CCOCC2)CC1 1749000377 UPSLWEWMYHVJHI-UHFFFAOYSA-N 485.654 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(C)COC2)CC1 1749004041 DBSSEDJUZOZVSC-LJQANCHMSA-N 481.597 2.819 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCOC(F)(F)F)CC1 1749016670 KJPQSFMAJAXEOO-UHFFFAOYSA-N 467.467 2.900 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCS2(=O)=O)CC1 1749329692 RIZYWQDJXKZCFH-KRWDZBQOSA-N 463.579 2.995 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1749402032 HYCKCSFQHCAAPT-FQEVSTJZSA-N 489.617 2.567 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC(C)C)CC1 1749658321 JMYTZKHWHYHVSB-UHFFFAOYSA-N 497.463 2.618 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1749688939 ADBGEHTWXFYZHJ-GOSISDBHSA-N 461.632 2.954 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749689012 CKPRTQZTTQNVOJ-IBGZPJMESA-N 473.624 2.870 30 10 JFEE 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468.579 2.771 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1760189509 UYEBXJMQYLJRBW-UXHICEINSA-N 474.652 2.763 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760191660 LIXKCVVKZQFKJP-INIZCTEOSA-N 456.490 2.663 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760192957 PWJVQAVYJICQNE-IAGOWNOFSA-N 480.681 2.957 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760236107 JBBXCPCLCIVBKE-SFTDATJTSA-N 453.541 2.814 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccc(Cl)s2)n1 1760252256 LPSWDSXXUGOZKC-UHFFFAOYSA-N 468.974 2.981 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1760255406 ZVKGLVONYFQWDA-OALUTQOASA-N 483.613 2.930 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1760261564 SZMJZWTYVNZTPM-UGKGYDQZSA-N 496.660 2.540 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCc2cccnc2)CC1 1760270867 CWDIGMQMZBIALP-UHFFFAOYSA-N 458.566 2.769 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS(=O)(=O)CC1 1760275773 IHUXUWLTKLTUSQ-UHFFFAOYSA-N 489.848 2.962 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760275834 KEVGQHLMKGXCQY-UHFFFAOYSA-N 478.607 2.890 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760284322 KBRASPIUJYXCBP-UHFFFAOYSA-N 468.627 2.870 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760344213 DRRGZQWIJBLMBZ-AUSIDOKSSA-N 482.629 2.917 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1760451091 ZHPVAVKXJXCDTE-OXQOHEQNSA-N 482.553 2.629 30 10 JFEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCC(OC)CC2)CCCC1 1760453993 RETQFAOCBAYXTN-UHFFFAOYSA-N 453.591 2.971 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1760461297 NVTMAASRAYMZED-HXUWFJFHSA-N 478.645 2.713 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760517389 LBVVLTHURFITBM-INIZCTEOSA-N 457.485 2.576 30 10 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C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1286495835 GRCCHBAHZFRXLC-UHFFFAOYSA-N 476.002 2.617 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1CCCO 1286515124 DGXJIXHTQXFUQU-XMSQKQJNSA-N 475.435 2.885 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286552017 OOBLCJRLJLUSTM-DXIQSLLYSA-N 490.626 2.957 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1286581663 MRGZMMKLBWVQRO-NRFANRHFSA-N 454.600 2.876 30 10 JFEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286597131 BNCDEMUYNHDREW-UHFFFAOYSA-N 461.570 2.816 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1286608671 UHFUARVOBQHRAO-HMXCVIKNSA-N 460.600 2.739 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286612454 FJBVMSJNBWDHNF-HXUWFJFHSA-N 454.575 2.623 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286708296 ONRGJLOHXLLJJT-MRXNPFEDSA-N 465.396 2.933 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCn1cc(Br)cn1 1286720679 UVJLVPCQBCUFIC-UHFFFAOYSA-N 483.378 2.982 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1286782041 IRXSYXJBCRLLNQ-GOSISDBHSA-N 495.584 2.630 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286783160 LVOUAERFMADYFX-KRWDZBQOSA-N 454.575 2.822 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1286783275 IRJUMJOCKKHOKT-QFIPXVFZSA-N 456.909 2.533 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCOC2)C1 1286806311 WOTCKGMBTFDPKB-YWZLYKJASA-N 467.339 2.779 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)C1 1286809679 KMSQLGHBOKWUBZ-STSQHVNTSA-N 465.595 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCn2nc(C)nc2C1 1286818644 YTVBWVVEYKZRIV-OAHLLOKOSA-N 492.005 2.592 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1286818854 QIFOVHQTEZGBLC-UHFFFAOYSA-N 471.583 2.930 30 10 JFEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286828955 SSEITVLKUXKKLH-UHFFFAOYSA-N 450.634 2.536 30 10 JFEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286831675 IRCFXQCGBILSGL-UHFFFAOYSA-N 499.591 2.887 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1286832011 GQRSLEPGYQKCKV-OALUTQOASA-N 489.667 2.589 30 10 JFEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1293997953 ASRPFMURYAOEQR-UHFFFAOYSA-N 453.591 3.000 30 10 JFEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1294833294 CQPWQRKXZXXCLD-UHFFFAOYSA-N 490.612 2.870 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1295044989 GMVDPWONMHSBBF-IEBWSBKVSA-N 455.563 2.638 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)nc2)c1 1300333320 ZHXJZKGNDIGBMG-NRFANRHFSA-N 487.564 2.516 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300486994 CSLDXLMGCSZBON-GOSISDBHSA-N 456.593 2.885 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300496723 UKUCUZSYLGSVAT-ZCNNSNEGSA-N 452.621 2.598 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cccn1 1300548565 KRMUOQJCTIOECI-UHFFFAOYSA-N 453.344 2.979 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)CC1 1300707795 JWEMLKKHCPODFE-UHFFFAOYSA-N 453.978 2.632 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1300768622 UXRYBLIOBHOXKT-GOSISDBHSA-N 488.608 2.928 30 10 JFEE C=C(C)COCCn1c(N2CC[C@@](O)(c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1301002479 ZYCYZTKDICEUBF-ZEQRLZLVSA-N 460.550 2.760 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1301063566 DOYRWIODJQUNPU-ICSRJNTNSA-N 472.613 2.699 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301207676 DEJBXEIDEZKSRJ-IBGZPJMESA-N 467.574 2.952 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1301425188 UHNBZRIEYLTLSW-OAQYLSRUSA-N 457.575 2.540 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CCOCC2)C1 1301542311 AKTDBWSOTNVZNT-HXUWFJFHSA-N 489.642 2.793 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)C1 1303203148 BZEQGRZMSMBHRQ-SMOZNVCYSA-N 462.614 2.995 30 10 JFEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](F)(C#N)C1 1305242427 AFZJOTVXUBGTKB-YXKWSERDSA-N 468.302 2.829 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)CC(F)(F)F 1358886169 ZCKGUELFPQQEFU-OAHLLOKOSA-N 471.553 2.580 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358966869 YLCUKCZNYXHLBK-QHCPKHFHSA-N 463.607 2.718 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1358970155 GYGWXTWFTKKKCW-NLFFAJNJSA-N 471.602 2.650 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(Cc2cccs2)CC1 1358992161 BWIQPHYWTPTZGK-OAQYLSRUSA-N 450.612 2.666 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCCN1CCC(O)CC1 1359017299 ZKXQWIGZKZKZTD-NRFANRHFSA-N 455.578 2.798 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1sccc1C 1359024496 OJOPBBSNUWJJPA-UHFFFAOYSA-N 451.600 2.956 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccc(Br)n2)CC1 1359031886 SPHMFEHMVATTTL-UHFFFAOYSA-N 467.371 2.915 30 10 JFEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNC(=O)[C@@H](C)CCC)CC1 1359037988 GJNBAKLMPPLQSW-NRFANRHFSA-N 461.614 2.589 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1c(C)nn(C)c1C 1359082839 VIEIPAHVHOYQSZ-UHFFFAOYSA-N 462.352 2.901 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1nncn1C 1359089869 QMTRSMZGJDMHNS-QRQLOZEOSA-N 456.595 2.648 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359116845 CPUQYKHEYUQOKV-TUFLPTIASA-N 481.663 2.609 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359225698 IDKJKWJRNNUIAE-UHFFFAOYSA-N 453.591 2.969 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1359237720 KFMZRNNBISEGGW-UHFFFAOYSA-N 459.554 2.914 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C 1359281783 JLHYJQQFVWBIRQ-UFYCRDLUSA-N 479.622 2.898 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1359298536 COFWPMVKDWSLJF-IAGOWNOFSA-N 481.626 2.605 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1359303727 YXMHREHZRLKJOQ-UHFFFAOYSA-N 468.577 2.805 30 10 JFEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359345297 ATAXLGLZUXXZTG-OAQYLSRUSA-N 484.626 2.851 30 10 JFEE C=CCn1c(SCC(=O)NC[C@H](O)CC(=O)OC)nnc1-c1ccc(Cl)cc1Cl 1454526331 UFSCFRILTRGSBJ-GFCCVEGCSA-N 459.355 2.570 30 10 JFEE C#CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882351 LBQUAYOBPUGZHG-UHFFFAOYSA-N 454.487 2.650 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1499986481 GVJGGTUSDCJTKC-UGKGYDQZSA-N 477.613 2.960 30 10 JFEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1504632699 GNCKDXKIMCVFHW-QHCPKHFHSA-N 454.506 2.614 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507572194 BHGZXIJKOJZLBP-NRFANRHFSA-N 450.587 2.719 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1507653320 MSWSHNINCMWBCG-OAQYLSRUSA-N 482.629 2.724 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](OC)C(C)(C)C 1507710224 DBGGZGYRDHQTOW-HXUWFJFHSA-N 455.607 2.599 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 1507774878 DQSANKSLNPARIJ-UHFFFAOYSA-N 492.422 2.629 30 10 JFEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507965879 RLVQHFBBAVNUOB-GOSISDBHSA-N 460.648 2.916 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1508008241 LZMJSYDDHAQJRA-HNNXBMFYSA-N 467.020 2.984 30 10 JFEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 1508103483 DOESPFFWFSARGS-OAQYLSRUSA-N 480.613 2.755 30 10 JFEE C[C@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1510093819 HEMJIQAFMWRZDA-NQIIRXRSSA-N 456.616 2.562 30 10 JFEE CCC[C@](C)(O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1514271166 CIFWLGVTEOCHSF-DQEYMECFSA-N 486.592 2.819 30 10 JFEE COc1cccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)N(C)C)c1 1518347777 FPCIQKHWIMXPDQ-DVECYGJZSA-N 478.532 2.679 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCCCC2 1539263550 LFUSCPMSMMJANE-HXUWFJFHSA-N 492.628 2.832 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSCc2ccccc2)CC1 1539431334 UCWXPABEIWIQIV-XMMPIXPASA-N 455.628 2.619 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)C2CCCCC2)CC1 1539436484 UHPVZUZXNIQVBW-UHFFFAOYSA-N 455.994 2.540 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C(=O)NC)CC1 1539462793 ZBCCWXRDFPPJOO-UHFFFAOYSA-N 466.630 2.682 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)c2cccc(F)c2)CC1 1539481976 QKSMWYYQGXFHIO-IBGZPJMESA-N 453.562 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCC[C@H](C)C2)CC1 1539483186 SXSBOVUXOASWFI-IBGZPJMESA-N 484.595 2.845 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)(F)F 1539532612 AGQUEGDBTCNBMP-HXUWFJFHSA-N 450.465 2.793 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539628300 OWRWLFMSJOSPDT-QRQLOZEOSA-N 457.579 2.763 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539646637 ZEOZMHQHHAZRSO-CWMMHYCISA-N 475.634 2.868 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539727963 APJNGOUOXPDPIQ-SFHVURJKSA-N 453.996 2.709 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C 1539729006 NGFSEOPIQJFCPL-HNNXBMFYSA-N 478.391 2.976 30 10 JFEE C=C(Cn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 1539770004 GTFRKIGWYUXUBB-OAQYLSRUSA-N 473.643 2.920 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1(C(N)=O)CCOCC1 1540127206 CQVBVWOEVURNGV-UHFFFAOYSA-N 471.565 2.610 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)N(C)C 1540162093 LOUWHYVPKKGVIO-UHFFFAOYSA-N 472.384 2.917 30 10 JFEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1C(F)(F)F 1540728328 CHUNTDGARWBSNX-UHFFFAOYSA-N 453.442 2.732 30 10 JFEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1540858059 FNYUGPZTGNWTOJ-OAHLLOKOSA-N 455.506 2.712 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 1540861933 MACGEKCDGLAFBA-UHFFFAOYSA-N 493.793 2.653 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1CC 1540880795 QPGANKYNEJNGIZ-UZKOGDIHSA-N 489.642 2.849 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)OCCO3)C1 1540883263 WTHHSBKIRFEYRG-LJQANCHMSA-N 455.559 2.797 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540919783 WJLKOBNAHMABPK-LJQANCHMSA-N 466.615 2.581 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(c2ccc(F)cc2F)CC1 1541920677 BXIUURQMDGWHTM-AWEZNQCLSA-N 464.542 2.638 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cccc(CN3CCOCC3)c2)n1 1542720269 FQGLOAOXKLFMKN-UHFFFAOYSA-N 456.597 2.885 30 10 JFEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1547526055 BCAMUCMNLMTTLU-UHFFFAOYSA-N 467.599 2.934 30 10 JFEE CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1(C)C 1548033810 FYSCVAFGQGPWQI-LEWJYISDSA-N 496.612 2.651 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)Cc3ccccc3Cl)[C@H](C(N)=O)C2)cc1C(F)(F)F 1548368091 RKUJLWKFFKDFON-SFHVURJKSA-N 450.848 2.976 30 10 JFEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1554357872 IDJXQNVUQIBDOM-VQTJNVASSA-N 456.616 2.560 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1584134403 CZLZSHBFWUPVLO-SFHVURJKSA-N 451.951 2.811 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1587657698 VJVNVJATZFTOHY-PXNSSMCTSA-N 465.520 2.793 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCn1cc(Br)cn1 1588253942 KDXYFYQLWAXGEN-UHFFFAOYSA-N 483.370 2.988 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCS(=O)(=O)C1 1588550190 KGJNSUTXQLSAEO-NRFANRHFSA-N 467.570 2.868 30 10 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C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N(C)C 1760484875 MYFVZKOFMUIRBG-IBGZPJMESA-N 451.568 2.743 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1760495180 HKWZQABSNWAESE-FCHUYYIVSA-N 484.670 2.569 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)(F)F 1760505304 QUWPITKVNUEBFY-MRXNPFEDSA-N 474.505 2.766 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1760517750 WVWKVMILSRYBKT-IBGZPJMESA-N 469.567 2.894 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1760519412 CHQZENXNDQBTSC-OAQYLSRUSA-N 467.526 2.826 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc2ccccc2o1 1760548563 JTKLYVOFYMBEDT-UHFFFAOYSA-N 480.550 2.909 30 10 JFEE CC(C)(C)n1ncnc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1760769748 CQDXZVRZUFJYGJ-KRWDZBQOSA-N 456.938 2.634 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1761074866 HMXZQRBGODFSKU-SFHVURJKSA-N 485.555 2.543 30 10 JFEE 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LHKRSIXVIJLXRK-GRJZNYKUSA-N 459.591 2.846 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539642017 HNAUNWRCDAWLCR-KSPVPNAGSA-N 487.626 2.968 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOC(C)(C)C1 1539645060 KWVLHYPYHVVTSE-CMOCDZPBSA-N 477.650 2.530 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1539902280 CYMLNKVWSOLNIL-QGZVFWFLSA-N 462.620 2.523 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539926067 HKGGNTJMRGKISS-UHFFFAOYSA-N 477.679 2.992 30 10 JFEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1540041932 HAHVBYFIUNZNFF-JOCHJYFZSA-N 453.587 2.922 30 10 JFEE C=CC(C)(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1540194233 YVMFZXRIOVNUEC-UHFFFAOYSA-N 456.008 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](NC(C)=O)C1 1540897653 OPOKTIPRQJHBJN-CTNGQTDRSA-N 489.642 2.741 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540899474 PSNOAZXACYNMDP-QGZVFWFLSA-N 478.981 2.515 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1541218669 BDVWIUSXONRRLL-PMACEKPBSA-N 468.558 2.726 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1 1545612201 IOPLQGRGOHSSCT-INIZCTEOSA-N 456.486 2.751 30 10 JFEE C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1 1546317711 DFWYVNLKLSMEDD-UHFFFAOYSA-N 450.499 2.925 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C)c(C)s2)C1 1547779940 HCFBTSQNNCTGNF-IBGZPJMESA-N 485.639 2.651 30 10 JFEE CCCS(=O)(=O)N1C[C@@H](C(=O)N(C)C)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376964 OCYXDGCBPDYKNR-IBGZPJMESA-N 486.560 2.923 30 10 JFEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1)OC 1555247893 CDWTZXJJLZMMIW-NRFANRHFSA-N 467.599 2.565 30 10 JFEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCn2cc(Br)cn2)CCO1 1555992704 ADWSSAKWQRDJBV-KRWDZBQOSA-N 476.766 2.910 30 10 JFEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1587758931 JXRHABCEODMTAV-JOCHJYFZSA-N 462.598 2.874 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588065063 SRUWVGSHDNTDLX-RDJZCZTQSA-N 461.638 2.817 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCO[C@H]1C 1588560527 RHZCXMYZZXZUJI-HJPURHCSSA-N 455.559 2.953 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1588811147 AYMUYQXHQOSDGF-OAQYLSRUSA-N 451.619 2.995 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CC=CCO2)CC1 1588961617 GMMMMELZNPRLOA-QHCPKHFHSA-N 463.582 2.785 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1589252024 XDORGOTWRVJPJY-WZONZLPQSA-N 489.667 2.995 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589530248 UBSKLSAWKLJIDU-XUZZJYLKSA-N 481.645 2.620 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1593728957 GJMXTJMCPCDACK-VXKWHMMOSA-N 483.661 2.503 30 10 JFEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1594114923 KWBBVUNTUQQUPV-UHFFFAOYSA-N 458.613 2.680 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1595141026 CFZJYOXMHAXFEM-KRWDZBQOSA-N 463.629 2.593 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N(C)C 1595190966 LEOZDCVPKGQOHZ-UHFFFAOYSA-N 460.423 2.839 30 10 JFEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1595230010 ZDYDXQBAMJVCFC-SLFFLAALSA-N 486.617 2.603 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(C(=O)N3CCOCC3)CC2)cc1 1595607967 NMXTXOQIFJOHAP-FQEVSTJZSA-N 468.602 2.979 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(=O)N(C)C)C1 1595699874 IMCAGDDYZKQLNT-INIZCTEOSA-N 478.391 2.976 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](F)COC)C1 1595755475 XAOJEVKADRIFKS-ZJPYXAASSA-N 453.559 2.815 30 10 JFEE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1611230789 HGHIRIRDJDTKAU-SFHVURJKSA-N 457.328 2.705 30 10 JFEE C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1611583661 HMTQGBAMPDCKKJ-RXVVDRJESA-N 472.615 2.545 30 10 JFEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)OC 1614411394 HFHYUJKQKISKAL-JLGINSKQSA-N 455.559 2.928 30 10 JFEE COc1ccc(NC(=O)C2(NS(=O)(=O)c3ccc(C#N)cc3OC)CCCC2)cc1OC 1621866976 GEFFFZOHOIUKIQ-UHFFFAOYSA-N 459.524 2.814 30 10 JFEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)C1=O 1639594915 VUSAFLWXVIXETC-WMZOPIPTSA-N 459.543 2.615 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1639688483 VTMIMOKYTLDOKZ-OPAMFIHVSA-N 458.536 2.970 30 10 JFEE COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3ccc(S(C)(=O)=O)cc3)CC2)cc1 1643682123 DGDUSFOZTMKHCM-NRFANRHFSA-N 459.593 2.600 30 10 JFEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1[nH]c(C(=O)C(Cl)(Cl)Cl)cc1Br 1663980891 MTMCVCRYCNPFSW-APPZFPTMSA-N 466.568 2.952 30 10 JFEE C#C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 1668127012 MXRKMUNRQAUYPN-GOSISDBHSA-N 451.907 2.996 30 10 JFEE CN(C[C@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1680778582 HIRPUUOLQODWKZ-UXHICEINSA-N 455.559 2.700 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCC[C@@H]2CC)c1 1689868710 PAGQRAGLMMSZRM-QHCPKHFHSA-N 491.640 2.835 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2conc2COC)c1 1689870417 NEGBNWIIQONROV-UHFFFAOYSA-N 457.494 2.579 30 10 JFEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 1689879683 DPHPCRBANYVUEB-UHFFFAOYSA-N 460.376 2.806 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1689930467 RVDGRKFZUPFRHF-XMMPIXPASA-N 472.590 2.837 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCO[C@@H]1CCCC[C@H]1C 1689950842 DDCWAURRNZSMDC-WIYYLYMNSA-N 459.616 2.860 30 10 JFEE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689983035 ZFDWCRNFSFZUSA-OFNKIYASSA-N 494.665 2.929 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(Br)n1 1690093660 GLPPPGYFDGMWDB-NRFANRHFSA-N 478.391 2.611 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N1CCN(CC)CC1 1690098621 OXOFGELDZDWBGE-NRFANRHFSA-N 461.614 2.605 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(CC)CC)N(C)C)CC1 1690142998 ZDFNXGGTUYAPIG-JOCHJYFZSA-N 453.635 2.616 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2OCC[C@H]2C)CC1 1690152831 ZVAMLQZCZCHUPI-DENIHFKCSA-N 451.571 2.556 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1690193052 HDBFJPMAGBPXAL-CLJLJLNGSA-N 465.598 2.969 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(Cl)cc1)C1CC1 1690544762 AJEUBNUBARWRAA-OXJNMPFZSA-N 496.033 2.887 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1690570190 ZBDMHMLYLMMNFD-RXVVDRJESA-N 456.566 2.529 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690644466 NBIJDMLDRQGVME-ROUUACIJSA-N 462.595 2.515 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690659069 IZLHKHDMMZWTQO-LJQANCHMSA-N 497.600 2.553 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690718853 AWTUSMNQUCOADA-UHFFFAOYSA-N 490.655 2.788 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1690723647 XPKRKTIPLFGPGM-HUUCEWRRSA-N 474.612 2.525 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1C1CC1 1690995246 GFSMCJLQFKADTG-RXVVDRJESA-N 485.658 2.808 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1695049696 CUDHQDANOHXAMB-WAIKUNEKSA-N 458.538 2.957 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)C[C@@H](C)C#N)CC1 1695897348 HWOSHMPDFNRUDX-PMACEKPBSA-N 467.618 2.586 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccnc1N1CCOCC1 1705486208 ZGJHBDSXYHDRTO-GOSISDBHSA-N 462.554 2.700 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1705492944 ZXFIUOIUJJTUMC-GDBMZVCRSA-N 466.991 2.747 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1705606106 KIXFYWBHNJLMMA-INIZCTEOSA-N 460.376 2.662 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(N2CCOCC2)n1 1705606214 NINBIYWUKJYHNS-UHFFFAOYSA-N 470.375 2.775 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)OC(C)(C)C 1705611338 ZCFYCYKIDGSYKM-UHFFFAOYSA-N 475.619 2.613 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1705619645 XPDWYZLMKVOHRY-SGIRGMQISA-N 472.561 2.638 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1OCCC1(C)C 1705627105 VQRJTKFZLKVVSS-OAQYLSRUSA-N 478.597 2.966 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705662226 TVGLBORYRDYOAJ-UHFFFAOYSA-N 482.701 2.509 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1705673305 VWWGVTUKKBUIFM-YDIMBITNSA-N 491.658 2.819 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1705675111 XYVIMNXXOHOXOH-RXFWQSSRSA-N 494.596 2.726 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OCC)CC1 1705685455 AFCOHXRFRDFXJU-INIZCTEOSA-N 475.391 2.863 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1 1705830577 SKAGRHOBQOEGNL-WOJBJXKFSA-N 478.638 2.710 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1705888232 MDRMJJVHJVUOEE-UHFFFAOYSA-N 468.583 2.655 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCS2)c1 1711018026 HZGOMSRRAVEKNU-SFHVURJKSA-N 460.629 2.831 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(=O)NC1CC1 1722292226 GKBZTADSYYGEBS-QGZVFWFLSA-N 458.607 2.909 30 10 JFEE C#CCCCCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722323455 UEVYNCUJHKTDDB-GBESFXJTSA-N 458.607 2.944 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722332652 NQASRFLOYGCVHO-QHAWAJNXSA-N 490.649 2.545 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC(C)C)NC(=O)OCC 1722355556 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463.586 2.944 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCSc2ccccc2)CC1 1359031230 UYDDAYALNLGFMT-DEOSSOPVSA-N 455.628 2.868 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1359108676 YIXWNQMJFZVPJQ-LJQANCHMSA-N 474.631 2.513 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359129936 SBWDDHKBMNCPGV-UHFFFAOYSA-N 472.615 2.660 30 10 JFEE C=C(Cl)Cn1c(N2CCN(CCOCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359157342 GNCMRLIOXVGGMP-HDICACEKSA-N 469.030 2.960 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C1CC1 1359257122 ZSCNFZIUNNPKDK-RXVVDRJESA-N 468.627 2.727 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1359259905 LYXVJEUWRGAUNE-INIZCTEOSA-N 475.594 2.619 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1359266315 YHPNWVMKKRXYNN-BPYKYCOYSA-N 456.635 2.730 30 10 JFEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1359266989 RBDMVNRUUOJIJM-ZWKOTPCHSA-N 482.651 2.714 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359285632 WYQVOPOCFKQDNO-UHFFFAOYSA-N 472.384 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCOC2)C1 1359328718 MJEIVDRCOSKKPK-FQEVSTJZSA-N 481.416 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN2CCCC[C@H]2C1 1359335218 DXTZLBLOSWNMPV-IBGZPJMESA-N 491.683 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359335383 JWBRYAWHMSQWIV-HXUWFJFHSA-N 488.589 2.844 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359340202 FLQKZRVABLWVHX-UHFFFAOYSA-N 485.702 2.973 30 10 JFEE C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(S(C)(=O)=O)cc1 1438582709 GSELPMJQDIZNMU-YOEHRIQHSA-N 459.955 2.888 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)cc1 1465258807 AWRQIPBTBUABBH-AEFFLSMTSA-N 451.570 2.949 30 10 JFEE Cc1nc(S(=O)(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)sc1Br 1475185913 GBIHFPHKCNDHAO-UHFFFAOYSA-N 452.359 2.965 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3C[C@](C)(O)CCC(C)C)CC2)c1C#N 1492727633 BLCULYRKCVMEAH-RUZDIDTESA-N 477.617 2.768 30 10 JFEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1497923096 DUXVWJRQWPCVJL-JOCHJYFZSA-N 457.600 2.577 30 10 JFEE CC[C@H]1CCCCN1CCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1499471490 BMAXIODGOOLFBJ-PMACEKPBSA-N 454.575 2.859 30 10 JFEE CCN(CC)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1501915043 ADFMMPNATGOLPE-DVECYGJZSA-N 487.674 2.908 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1502444076 HYUOPCDIXPTYQE-NRFANRHFSA-N 496.616 2.829 30 10 JFEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1507572704 UPSCJNWKLUTUNA-UHFFFAOYSA-N 452.607 2.850 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630209 ZYESHIVTCMDQOP-UYAOXDASSA-N 459.616 2.738 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507630521 AWBKIPUMWKDBCQ-XBMUEBEBSA-N 459.616 2.884 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507639832 MLYCDHHMGIJNOB-FGZHOGPDSA-N 485.654 2.585 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)N2CCOCC2)CC1 1507722298 UCBMFBUXFJDXHE-JOCHJYFZSA-N 496.656 2.683 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1507732493 NXEUXOOFYVIPHR-HSZRJFAPSA-N 475.062 2.703 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1507765648 UDIGBNLLROPFJY-UZUQRXQVSA-N 472.615 2.645 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CCS(C)(=O)=O 1507800451 NOFYWXIIKHQVPV-SIKLNZKXSA-N 484.626 2.983 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1507879369 DYGVYVIMQGIWSW-AWEZNQCLSA-N 471.530 2.703 30 10 JFEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507934580 GULMAVDMPDIMRC-FQEVSTJZSA-N 459.616 2.958 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1508131629 NDRCXMDQCCZGNI-LJQANCHMSA-N 474.606 2.581 30 10 JFEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C 1509117372 GEKKRXHSOAOSEJ-FQEVSTJZSA-N 488.658 2.718 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1515392183 BFVLEGIIOUBUQQ-KNQAVFIVSA-N 470.643 2.951 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C(N)=O)nc2)C1 1521062105 AIFNDJNYGBLXFS-FQEVSTJZSA-N 488.296 2.831 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539215912 LKSLIGDFNDJDCX-IBGZPJMESA-N 485.997 2.872 30 10 JFEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@@H](OC)C(F)(F)F)CC1 1539460176 ZHXIIOVSQJBPAE-LJQANCHMSA-N 451.493 2.888 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539624756 WCACIAXVJSJBNT-WWNPGLIZSA-N 498.653 2.906 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1539967787 UOYULVAJEAOAIG-IFMALSPDSA-N 489.642 2.970 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(N)=O)CC2)cc1 1540877254 OZAVIAVXGCQUNX-UHFFFAOYSA-N 475.553 2.630 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540879797 ONNZETDEEIKCHG-YLJYHZDGSA-N 477.631 2.753 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1540889523 OEIBOLXIOFGCDK-MRXNPFEDSA-N 461.448 2.901 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1540904304 LZKPRFSEMCARHN-FXAWDEMLSA-N 476.599 2.742 30 10 JFEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CCc3ccc(C#N)cc32)cc1 1567252420 HNMWXFVKRKKOHZ-FQEVSTJZSA-N 459.593 2.946 30 10 JFEE C#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Cl)cc1F 1584727364 KTLGTTFFFJDUEX-QGZVFWFLSA-N 456.948 2.595 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(N(C)C)CCSC1 1587985237 WXRPIRQLNWWBOF-HSZRJFAPSA-N 462.664 2.899 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1588069585 QTMSLWVFTROYJH-IBGZPJMESA-N 485.635 2.914 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCN(C)C(C)(C)C1 1588245678 NHXBILJUYSULRR-UHFFFAOYSA-N 457.626 2.770 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1 1588399059 LVOKPRGMLVQJGJ-NRFANRHFSA-N 496.612 2.705 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588763397 XIVAFDKUHWWKJF-IBGZPJMESA-N 472.540 2.560 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1588908790 WPEZIBVLTYNYJB-LJQANCHMSA-N 483.016 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)cc2Cl)CC1 1588930243 QTZLFQSSXBAFNH-SFHVURJKSA-N 459.953 2.783 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1589133991 CRRDRIJGDWTMEN-HSALFYBXSA-N 458.632 2.875 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCS1(=O)=O 1589178192 VELBQXYDOJIUJT-HXUWFJFHSA-N 451.955 2.765 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589395131 SBCCWEOAFIESSG-UXPWSPDFSA-N 495.466 2.807 30 10 JFEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1593642943 HFTICXZGIPQYEM-UHFFFAOYSA-N 486.567 2.664 30 10 JFEE C=CCCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594773777 GCTJUSAIKQSGFC-YADARESESA-N 471.606 2.683 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)=O)CC1 1594788687 QPLIYRDAFRLFLW-UHFFFAOYSA-N 451.369 2.687 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 1595302823 FJGMPGMZASURFT-KRWDZBQOSA-N 478.619 2.925 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1595536678 FCJBOEYXIBHSAS-SFHVURJKSA-N 479.541 2.617 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@](=O)C(C)(C)C)C1 1595738217 NABMEPBBHLJXEJ-GTJUCTONSA-N 456.616 2.845 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCNC(=O)CC1 1595760558 PZIGBPCAZCJQEU-QGZVFWFLSA-N 496.033 2.615 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1595773140 RKYQBQKUWKXPCV-UHFFFAOYSA-N 458.540 2.855 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1596101944 GBDAMYFZKDPJIK-IBGZPJMESA-N 475.519 2.760 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1CCC(=O)N1CCOCC1 1611291866 HEZAFXIIKWURDB-ZDUSSCGKSA-N 467.393 2.756 30 10 JFEE C=CCn1c(SCC(=O)N(CCO)C2CCN(C)CC2)nnc1-c1ccc(Cl)cc1 1627873778 IDNJEZVXAHUXGS-UHFFFAOYSA-N 450.008 2.792 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)OCc1ccccc1 1629827382 BOXDYMGUMSSYNZ-LJQANCHMSA-N 457.552 2.534 30 10 JFEE C=CCn1c(SCC(=O)N2CC[C@H](C)S(=O)(=O)CC2)nnc1-c1ccc(Cl)cc1 1638499047 AFJKZLNZOOTPFV-AWEZNQCLSA-N 455.005 2.912 30 10 JFEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1649680795 CPFJVMVRJPOMDI-HSZRJFAPSA-N 472.565 2.543 30 10 JFEE C#CCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1651973321 JIYFFNAQNYIGLG-GOSISDBHSA-N 453.580 2.778 30 10 JFEE COC(=O)c1c(NC(=O)CN2CCN(c3cnccc3C#N)CC2)sc2c1CC[C@H](C)C2 1654590255 CTPWQYPEOXCEAH-HNNXBMFYSA-N 453.568 2.687 30 10 JFEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 1655301509 PMWBNUIJVIDMGP-UHFFFAOYSA-N 452.602 2.672 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCn1cc(Br)cn1 1689864615 FMTXMRJNMCMJNT-OAHLLOKOSA-N 459.348 2.983 30 10 JFEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1689898072 QRZUYSFIVAHDSW-UHFFFAOYSA-N 460.586 2.891 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2F)CC1 1689937148 QHPJSPJBFSQZJG-UHFFFAOYSA-N 453.547 2.544 30 10 JFEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689972742 ZQHXEXASACUIIC-GOSISDBHSA-N 480.034 2.602 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689982627 QYWVGWSRBHJUBT-SIKLNZKXSA-N 482.610 2.633 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1689982725 SOICSRSDUYQVAW-MWWKQMNYSA-N 466.405 2.639 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(F)CCC1 1690088729 UZWYIRKDKDBYAJ-INIZCTEOSA-N 451.543 2.950 30 10 JFEE 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C[C@@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283983819 PBFSDPSXRGCZDL-CABCVRRESA-N 481.424 2.646 30 10 JFEE Cc1csc(CN(C)C(=O)CN2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2283986374 DNCYUMHZTJWBKN-UHFFFAOYSA-N 479.452 2.523 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)c1 2283986459 FJONCRUWCYUQKB-LPHOPBHVSA-N 460.380 2.993 30 10 JFEE C[C@H](NC(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283991583 SPPAHNNODZPEHI-RCDICMHDSA-N 481.424 2.693 30 10 JFEE CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)nc1 2284062545 GTKCPVYXDPGYJD-UHFFFAOYSA-N 474.392 2.792 30 10 JFEE CO[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C1CN(C(=O)OC(C)(C)C)C1 2284067191 HJIMCMARWQBCSE-SFHVURJKSA-N 464.343 2.945 30 10 JFEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)C2CN(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 2284349348 ISLOROLZFOQJNX-UHFFFAOYSA-N 461.412 2.718 30 10 JFEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)O 2284425277 UXNYRJVDJJFNOY-YWZLYKJASA-N 457.307 2.913 30 10 JFEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2288248208 VWRBEBBNHSLKIU-FATZIPQQSA-N 461.343 2.507 30 10 JFEE Cc1cc(CNC(=O)[C@H]2OCC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289462824 DPNMNIBYRGQNKQ-OALUTQOASA-N 460.380 2.593 30 10 JFEE COc1ccc(CNC(=O)[C@H]2C=CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296177152 VWCDZLKWJVNEJZ-GOSISDBHSA-N 458.364 2.786 30 10 JFEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=CC(=O)c2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@H]1O 2314609538 NCPWESPFIQMGOX-ZLOLNMDISA-N 467.518 2.704 30 10 JFEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2317405767 ACTGUIAIDCYCHD-RDPSFJRHSA-N 463.644 2.570 30 10 JFEE NC(=O)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(O)cc1O 2326071809 CEHGCGJEOFSDTO-UHFFFAOYSA-N 461.931 2.814 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NS(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2334266857 COQQPZXQAKVIQP-FVQBIDKESA-N 484.449 2.724 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2334270738 NVPRIZLZZOEGDR-QLFBSQMISA-N 463.409 2.960 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343819092 CTYUOJXALFFSMX-GXTWGEPZSA-N 486.827 2.857 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCC2(O)CCN(Cc3ccccc3)CC2)[nH]1 2362094295 MYCNVPVOSCWDBE-UHFFFAOYSA-N 451.420 2.940 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)n1 2369670365 RMCYQXLEOGTDKE-IAGOWNOFSA-N 463.359 2.719 30 10 JFEE Cc1nn(C)cc1/C=N/Nc1nc(SCCC(=O)Nc2cccc(N3CCCC3=O)c2)n[nH]1 20424350 GXGWCAQQLYNJHP-WSDLNYQXSA-N 467.559 2.540 30 10 JFEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccco3)n2)cc1 21076389 FFUBIUQJPIGGKY-RGVLZGJSSA-N 477.572 2.651 30 10 JFEE C=CCNC(=O)CN1CCN([C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 27558972 NPXDJLPHIRUPPM-QHCPKHFHSA-N 456.974 2.948 30 10 JFEE COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(/N=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)S2)cc1 58823902 KNFROTLUBJLZHE-PXAZEXFGSA-N 480.502 2.663 30 10 JFEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCc4ccccc4)s3)n[nH]2)cn1 59310906 QVFGGYKEYQNUEZ-FBCYGCLPSA-N 486.612 2.859 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1 102535308 XBYCVNZJZBNRTE-QQYUXEJHSA-N 496.560 2.862 30 10 JFEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccnc1 102538586 QNROZQWKVWBMPE-HWCXCKHPSA-N 454.527 2.577 30 10 JFEE COc1cccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC 102690943 XDZOFWYEVOAQTO-RKKARLDVSA-N 484.524 2.987 30 10 JFEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccc(CCC)cc4)CC3)nc2c1 253607649 PIEDLONZLBPTPX-UHFFFAOYSA-N 466.563 2.654 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 519515122 LYHHPUHFXAUQRL-UHFFFAOYSA-N 488.566 2.655 30 10 JFEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC=C2C3=CC(=NO)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 607737149 NISNRXHXSLWTHW-FAHXZGLHSA-N 477.642 2.920 30 10 JFEE biogenic C=C(C)COc1cccc(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)c1 729570189 MJQVCMIUDNUFMY-UHFFFAOYSA-N 460.336 2.688 30 10 JFEE C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729669067 YLAHZJCCFNXMIX-XMSQKQJNSA-N 483.597 2.745 30 10 JFEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCN(C)C)C(=O)O 757201721 QDSKHXIFEJWAKG-RPWUZVMVSA-N 477.561 2.828 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3ccccc3)c2C)c(=O)n1CCCSC 839374055 XEZARIKOHLDUEH-UHFFFAOYSA-N 492.670 2.876 30 10 JFEE COc1ccc(Br)cc1C=NNc1nnc(SCC(=O)Nc2nc(C)cs2)n1N 1084195347 UAUZEODDHIBLLH-UHFFFAOYSA-N 497.404 2.705 30 10 JFEE Nn1c(NN=Cc2cc(Br)ccc2O)nnc1SCC(=O)Nc1ccc(F)cc1F 1084350312 NNEAVDQPQSDOAQ-UHFFFAOYSA-N 498.313 2.915 30 10 JFEE COc1cccc(CC(=O)N2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)c1 1125464236 GVMZSJVFFXGXIP-UHFFFAOYSA-N 457.534 2.999 30 10 JFEE C=CCN(C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1203335476 CLIFNANQXJOUDI-QGZVFWFLSA-N 453.561 2.797 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1286298778 PBLWCZYCLWPSPT-DLBZAZTESA-N 467.636 2.722 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286315072 UJYOFLRUHDNJLP-UXHICEINSA-N 468.989 2.912 30 10 JFEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286333313 CMCVRKAIRPYVFN-QFIPXVFZSA-N 455.628 2.871 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286338472 BHMVAICDGUTARU-UHFFFAOYSA-N 476.599 2.788 30 10 JFEE C#CCCCn1c(N2CC(=O)N[C@H]3CCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359347 CGOPUJAKNJGTOU-RDGPPVDQSA-N 456.591 2.710 30 10 JFEE C#CCCCn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286361205 YZZLFVBDMNAYIL-HSZRJFAPSA-N 458.632 2.819 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286390510 BMDSSQXLDMJSHR-DENIHFKCSA-N 469.655 2.987 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNC(=O)OC(C)(C)C)CC1 1286477393 ZLHOGGRHIDOBAN-UHFFFAOYSA-N 490.612 2.801 30 10 JFEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286483453 LFJQIGWYKIMXBF-RUZDIDTESA-N 464.658 2.565 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286495386 UZMGJLYCXKRKFX-FUHWJXTLSA-N 478.663 2.912 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286511781 OWYWEAZLGPQOIN-OAHLLOKOSA-N 486.589 2.709 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286548964 QUQIHSSLBREZHS-FTRWYGJKSA-N 471.396 2.685 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1286608634 SRUWFLGCDVSNJV-HXUWFJFHSA-N 455.584 2.814 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC)C(=O)C1 1286685437 RLLZUQHWOGZAGA-UHFFFAOYSA-N 474.631 2.610 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1286748952 GTPXWMSESISEOU-SFHVURJKSA-N 483.660 2.680 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccoc2)C1 1286806319 WTOGJCKENLXQAO-LJQANCHMSA-N 457.556 2.618 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1286812386 LCMPVUPAQFMHAH-BHIFYINESA-N 471.650 2.809 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286816929 OEASASYTGNQXLK-MSOLQXFVSA-N 481.981 2.586 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286822427 JXANQSLTCFEEPZ-UHFFFAOYSA-N 489.617 2.600 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286833781 OTLGCCGCFRUULD-GOSISDBHSA-N 482.701 2.557 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1291605275 ICOOBWHLUAMGKT-FGZHOGPDSA-N 479.677 2.658 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)s1 1293001231 LIKAQTUHQFRXCD-HXUWFJFHSA-N 457.618 2.565 30 10 JFEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1299572534 ACDRXOSMFONQFS-GOSISDBHSA-N 452.559 2.745 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300488554 FHLPEHRHMOBXJM-MHTXLSKPSA-N 489.450 2.647 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1300492933 PRPOWBXNHUNXHQ-JOCHJYFZSA-N 496.637 2.820 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300495291 GDDXGRYCFJEQJJ-NRFANRHFSA-N 457.644 2.802 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300511344 HMGDFMAVTSGIRM-FPOVZHCZSA-N 472.014 2.876 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)CC 1300512003 FKYMBZNREAKYRR-UHFFFAOYSA-N 453.593 2.885 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOc2ccccc2C)CC1 1300733098 RYXFNDICXQWCQY-JOCHJYFZSA-N 451.571 2.873 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@H](C)N1CCN(CC)CC1 1300813742 QDBLUWPLRBZPLX-ATIYNZHBSA-N 450.631 2.918 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1ccnc1C 1300906055 ZPGOFPOKODGQGH-UHFFFAOYSA-N 457.604 2.803 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300927639 UYMPAMIUOUHCOT-IBGZPJMESA-N 455.950 2.749 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1301039994 AMHWVDHWACWNDL-WMZOPIPTSA-N 458.028 2.755 30 10 JFEE C=C(Cl)Cn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1301054978 CTCJPXPEYZBNLK-XMMPIXPASA-N 475.037 2.941 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301175925 LXAHFDPMJACZOZ-FQEVSTJZSA-N 470.599 2.807 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC(C)C)CC1 1301484915 OVPAIJBSFUNWCO-UHFFFAOYSA-N 491.434 2.557 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1301543502 ZOLDPLVSRFDWGZ-SFHVURJKSA-N 457.556 2.584 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccccc2F)C1 1301565963 HZNAUIUQBYHTFC-IBGZPJMESA-N 450.518 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301575972 NZMKPOCXVFREOV-UWJYYQICSA-N 470.599 2.797 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1301595628 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1540899143 FHUYXGFPMBATSL-INIZCTEOSA-N 479.603 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1540903501 FNSXDFLPCISBCM-NRFANRHFSA-N 475.634 2.921 30 10 JFEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 1542482847 DROSSMKRZXNSPM-FQEVSTJZSA-N 452.559 2.543 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(C#N)c2)c1 1543354944 GUFXJZKFCWVJPQ-UHFFFAOYSA-N 455.584 2.593 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc1 1544538242 OGRLRTPWYIFDBV-NRFANRHFSA-N 456.564 2.930 30 10 JFEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)Cn1ccnc1)CC2 1548379759 ZKILCWKCQKFCSK-HXUWFJFHSA-N 488.514 2.607 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC2CC2)C1 1555983959 HRZGTTFRKMGBDA-KRWDZBQOSA-N 453.341 2.737 30 10 JFEE Cc1c(Br)c(C)n(NC(=O)CC2(CNC(=O)OC(C)(C)C)CC2)c(=O)c1C#N 1558973132 DTGSTJAQCLVJNC-UHFFFAOYSA-N 453.337 2.864 30 10 JFEE C#CCn1ccc(CN(CC)S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)n1 1561531385 GLJZBMYPRURUTQ-JOCHJYFZSA-N 458.584 2.859 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 1587693955 YBEPEIBAVPJZQS-RTBURBONSA-N 452.603 2.785 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1587705856 JCJWTVJMPFESJO-SOLBZPMBSA-N 451.618 2.720 30 10 JFEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1587798866 UNBXOQBIIFLUCL-UHFFFAOYSA-N 454.600 2.696 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cc([C@H]2CCOC2)cn1 1588024907 PVNBZOBDHYMZOB-CMKODMSKSA-N 469.590 2.519 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)(F)F)CC1 1588753014 ZOYCRLFMGKZLJM-UHFFFAOYSA-N 499.541 2.786 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCN2CCC)CC1 1588761977 DCSPJBOKLLJGQF-IBGZPJMESA-N 474.451 2.676 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCN2CCCC[C@@H]2C)CC1 1588864325 CIUWVJUWKBGCLK-NRFANRHFSA-N 483.686 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](CC)N2CCCC2)CC1 1588955500 YXMLHZFMQATINA-XMMPIXPASA-N 462.642 2.904 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1589089342 QZCKEJMJMHJGFO-UHFFFAOYSA-N 453.641 2.717 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCS(C)(=O)=O)C1CC1 1589505510 MWPANOGKUQBXGN-YLJYHZDGSA-N 475.571 2.848 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1589567951 HBBNJZKTBXENSR-JUXOCIIHSA-N 452.559 2.528 30 10 JFEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1594134436 QNRFMYPTPGZQQF-WCWDXBQESA-N 478.553 2.939 30 10 JFEE CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1594644145 CQAPIHSOHJHKRI-VGOFRKELSA-N 458.559 2.660 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1cccc(C)c1 1595551651 UAYLHDRSJFSOHY-LJQANCHMSA-N 470.574 2.965 30 10 JFEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 1595608378 SDOYZVZWAQRMLI-HXUWFJFHSA-N 452.603 2.723 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1595760608 QWTOQTPHBZQKRX-UHFFFAOYSA-N 477.631 2.736 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(=O)OC)CC1 1595766286 NTEUPLUSOPSJTL-MRXNPFEDSA-N 493.655 2.621 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1597732962 GVZHTJHENLXSJV-JXXFODFXSA-N 453.584 2.606 30 10 JFEE CS(=O)(=O)C1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@H](C#N)C2)CCC1 1620148785 DVGVRRLUVWGZFT-CQSZACIVSA-N 498.378 2.543 30 10 JFEE C=CCN(C(=O)Cn1c(S)nc2ccccc2c1=O)[C@H](Cc1ccccc1)C(=O)OCC 1638617689 NXGKMEONNVAWQG-HXUWFJFHSA-N 451.548 2.874 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1 1640431144 BMSZMNXCFNASTC-OAHLLOKOSA-N 458.540 2.888 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCNC(=O)OC)ccc1Cl 1640713036 VJLDAWZPUYOWBD-UHFFFAOYSA-N 451.932 2.807 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1649539516 ODJDIIIXQKLSOV-POGFHVCPSA-N 451.615 2.953 30 10 JFEE C#CCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1660152426 SUCWNQHMEITOSF-UHFFFAOYSA-N 454.571 2.852 30 10 JFEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 1667133189 BISAFNRSTDZOSU-LJQANCHMSA-N 458.540 2.883 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1675017920 CHYRVAFBEQGVRN-UHFFFAOYSA-N 457.527 2.865 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1 1686054500 AADWRGZGSZJBDC-LPHOPBHVSA-N 459.522 2.945 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cnc(C)s2)c1 1689868391 FQSRZYXFUWTCOE-DEOSSOPVSA-N 480.594 2.800 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689982393 MHYOHQSKIZBKEK-JJCDCTGGSA-N 481.043 2.526 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689982625 QYWVGWSRBHJUBT-DENIHFKCSA-N 482.610 2.633 30 10 JFEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690079037 RSPAOTBEHANCGC-NRFANRHFSA-N 458.557 2.549 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1690111661 HGTYFESVTBFRMR-IBGZPJMESA-N 484.576 2.791 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690113902 XPRFCWNJNYBYHY-FGZHOGPDSA-N 455.628 2.543 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(OCC3CC3)nc2)CC1 1690146300 KNDUCKSLWXXNSP-UHFFFAOYSA-N 450.587 2.675 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CCC)C(=O)C1 1690183243 QXIMGTBLDFFRHZ-UHFFFAOYSA-N 452.584 2.544 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1690251393 UQLGYSNXNDQURK-QTEQDKRBSA-N 472.634 2.514 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690331517 YENLTNVHJLXKIG-QGZVFWFLSA-N 490.967 2.581 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1690484708 BNLBFWGPUJKSAK-INIZCTEOSA-N 496.008 2.901 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1690603521 COXZYSCQNFWQEO-XMMPIXPASA-N 466.630 2.919 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccncc1Cl 1690619835 FUWOBAYTYXHBKV-UHFFFAOYSA-N 465.945 2.928 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1690640890 POAGQBDYYIFCGT-UHFFFAOYSA-N 499.641 2.549 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690652625 WIXJAARMDLAPIO-MRXNPFEDSA-N 451.618 2.531 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690677165 QAPSGTCCWKBBOC-IFMALSPDSA-N 484.670 2.728 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690681436 PSFGOKSLFXAOSX-UHFFFAOYSA-N 484.601 2.944 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)CN(C)C)C1 1690696547 DTRCUYFGNMSHTN-GOSISDBHSA-N 465.602 2.561 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C)C1 1690717768 QAMVYSIDVOVXOC-CQSZACIVSA-N 455.378 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690720218 BOJJUOYRCPIKOD-GDBMZVCRSA-N 486.516 2.952 30 10 JFEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690742211 JWWYJZGUAUEQMO-UHFFFAOYSA-N 488.639 2.991 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCS(C)(=O)=O 1705533017 UALXKZNXHKWYSI-GOSISDBHSA-N 467.636 2.677 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705543942 XVLPPJHSWCPNBB-FQEVSTJZSA-N 461.570 2.977 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1705565933 KWMPKHFTNIQLNI-NNKPGIQBSA-N 491.658 2.986 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1705581805 LQHQILWURAWNCR-DEOSSOPVSA-N 486.599 2.967 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705595761 FOERJWOMMFODPQ-UHFFFAOYSA-N 456.550 2.627 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705704112 QITAKVBKJAXPFG-GHTZIAJQSA-N 477.606 2.831 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705730477 JXWNBAONIWZEIE-HXUWFJFHSA-N 477.631 2.649 30 10 JFEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1705775972 SLVOTVUHCLFNFR-UHFFFAOYSA-N 453.534 2.747 30 10 JFEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCCNS(C)(=O)=O)C1CC1 1705850324 PNPQVYOCDISSGU-UHFFFAOYSA-N 460.423 2.863 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@@H]1C 1705870920 QLKMRCXWCLJKKA-FDDCHVKYSA-N 459.616 2.925 30 10 JFEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1705892540 NWEGLLQEFSVKQP-UHFFFAOYSA-N 468.023 2.956 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(C)noc2C)C1 1705919637 HRZMHJCWAJWYNF-IBGZPJMESA-N 486.598 2.630 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1705920924 IEGKSWWVFXNVPY-PKOBYXMFSA-N 476.599 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705933371 FFEKKKKRRRYUSK-GOSISDBHSA-N 473.643 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[C@@H]21 1705938634 FHDMJGJZQOQHPB-SQNIBIBYSA-N 465.620 2.940 30 10 JFEE C=CCSCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705950113 RXKFBPAYKAGOIF-XMMPIXPASA-N 483.642 2.831 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1C 1707518157 DOJDPSPNHLIFLR-OFVILXPXSA-N 483.592 2.946 30 10 JFEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1)S(C)(=O)=O 1710140480 AWMQROUURNTJJJ-QFIPXVFZSA-N 485.658 2.553 30 10 JFEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1712061511 GDIZKFUHYULJLD-SFHVURJKSA-N 488.658 2.575 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCSCC(F)(F)F)c1 1722306237 PNMOPPXXOVLTEH-UHFFFAOYSA-N 482.532 2.768 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(OC)nc2)c1 1722307698 VBHIFFJUNVUYIP-UHFFFAOYSA-N 467.533 2.772 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@H]2CCCC[C@@H]2C)c1 1722309921 RCISKQXBEQEIQE-NYVOZVTQSA-N 478.597 2.881 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2scnc2C)c1 1722310338 UOUHTCSEAFDJGB-GOSISDBHSA-N 450.568 2.846 30 10 JFEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722327776 NWCUTSINEJMHAC-VQTJNVASSA-N 476.585 2.980 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1722366170 QBPBYQKNYOISCJ-KBXCAEBGSA-N 490.680 2.829 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722368585 SDDGGQQEAVZLJS-PKOBYXMFSA-N 464.538 2.591 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCN(C(C)C)CC1 1722395147 RUOUWNBKGUEPEY-UHFFFAOYSA-N 487.446 2.744 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CCC(O)CC1 1722400686 WIUTZWJXZWFTEP-RUZDIDTESA-N 461.610 2.988 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722420754 LDHRLMDXONCCFP-QZTJIDSGSA-N 493.450 2.631 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1722475650 WPPJSRJYMVWOQY-FKIZINRSSA-N 456.465 2.777 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ncccc2F)CC1 1722495164 VZEZACWFTKOCLC-FXAWDEMLSA-N 472.565 2.979 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722550114 GJABAJDMIMBBCH-LJQANCHMSA-N 458.010 2.924 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1722558932 DPWLFGZSYVGUJP-UHFFFAOYSA-N 475.615 2.835 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722705243 CITDBCRAWIIYHJ-JOCHJYFZSA-N 493.612 2.559 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722742770 GUVQVBHAVKHWNB-KRWDZBQOSA-N 461.661 2.659 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C#N)CC1 1723660026 BKCLCGWNEXYKIY-UHFFFAOYSA-N 481.420 2.775 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1723771126 DGSHDKVYYGXDCT-DZGCQCFKSA-N 451.453 2.546 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1CCCC1 1723951287 ADXAESQRQSMYAF-INIZCTEOSA-N 492.049 2.930 30 10 JFEE 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30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCOC(C)C)CC1 1722434383 QMUMSUPWGQBRGB-UHFFFAOYSA-N 462.392 2.896 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCC[C@H](C)C1 1722450122 YDSNQDRGQWTBSQ-SFTDATJTSA-N 491.640 2.881 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)(COC)CC1 1722457884 QTWCOLRZHWSING-UHFFFAOYSA-N 476.672 2.858 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1722474433 DMSQXIBWBROUSP-NXMSCROESA-N 456.591 2.567 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 1722497330 URMVULHAUXZKSZ-GHTZIAJQSA-N 455.559 2.645 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1722506025 LGRDXLVGWPELEA-JPYJTQIMSA-N 493.612 2.617 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1722588752 ZDXSLMUBHOZKQR-LJQANCHMSA-N 481.663 2.753 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722626178 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2.639 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCN(C)C)CC1 1740692256 UKUQCSALYCIGIE-UHFFFAOYSA-N 451.402 2.585 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1740693635 FXGYTQGACHVJLW-FQEVSTJZSA-N 460.582 2.991 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCc2noc(CC)n2)CC1 1740700266 MLKYDODJBXPCKY-UHFFFAOYSA-N 467.599 2.522 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740714781 KPKYWGUOIOYHJH-UHFFFAOYSA-N 450.543 2.808 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740745990 BKKPFUPSCWQOJH-KRWDZBQOSA-N 493.406 2.902 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOCC1(C)C 1740772911 PXMLXJNQWLZIER-UHFFFAOYSA-N 475.663 2.751 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1740794695 GNJJJNBJKISNLO-DHIUTWEWSA-N 487.670 2.874 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740847016 UVQOVYJEBCZRHQ-UHFFFAOYSA-N 466.630 2.837 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCC(C)CC1 1740893436 KCSPUXNIJTWYTE-UHFFFAOYSA-N 460.648 2.940 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740924336 NLRBFBVQEHGITG-HSZRJFAPSA-N 488.635 2.969 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2F)CC1 1740956403 LHLFIZAACOWARO-UHFFFAOYSA-N 455.925 2.761 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1740958643 FGHSUEWZOWCNSD-UJQZNKFNSA-N 452.584 2.886 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@@H](O)C2)C1 1740982213 SBYGWKCRBYFADK-NCYKPQTJSA-N 491.633 2.919 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](OC)[C@H](OC)C1 1740987445 HMEIRLQEXWYMGT-NXHRZFHOSA-N 480.656 2.582 30 10 JFEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)COC)CC1 1740997836 CXAUYVCHBDTCNS-UHFFFAOYSA-N 452.584 2.708 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccs2)C1 1741213749 GHMSQMKPZHMSIZ-JKSUJKDBSA-N 459.576 2.626 30 10 JFEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1743115694 CQIFCCMMXHJBHB-HXUWFJFHSA-N 494.644 2.843 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1744064337 HKLNKCXGICQJSG-VWLOTQADSA-N 463.586 2.661 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1746061279 BHAAVEXKQNLJED-FQEVSTJZSA-N 489.628 2.981 30 10 JFEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1748068650 GYMHGMAYEXLNDR-SFHVURJKSA-N 477.573 2.735 30 10 JFEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1748709409 UJMBGHSFIOPTAT-IBGZPJMESA-N 466.586 2.514 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748750625 LJHOVHCPQIRVIT-TZIWHRDSSA-N 467.618 2.983 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1N1CCOCC1 1748788275 AAQPKAJIPKWCSQ-QFIPXVFZSA-N 496.612 2.541 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1748811198 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30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC(=O)N1CCOCC1 1740602995 CEAODFVYRPNAPX-UHFFFAOYSA-N 466.767 2.679 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(OC)c(OCC)c(OC)c1 1740608505 BMSVRZHMYVLEJH-UHFFFAOYSA-N 491.596 2.986 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(F)(F)Br 1740637442 BNHOGCACFKHDRM-UHFFFAOYSA-N 464.318 2.513 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1740664072 ZHZIETOXTKYNJT-XMMPIXPASA-N 452.559 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2c(CC)noc2C)CC1 1740707544 GQFXPASSRCFVOD-UHFFFAOYSA-N 492.580 2.739 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)C)cs2)CC1 1740708611 WHCHHHDJTMYIHU-UHFFFAOYSA-N 480.642 2.734 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740712968 APIDKBIJFVUXMJ-UHFFFAOYSA-N 462.023 2.990 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CNC(C)=O)CC1 1740764603 XVEWEZXWFGFVBO-SIKLNZKXSA-N 486.642 2.603 30 10 JFEE 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30 10 JFEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC2(C(=O)O)CCN(C(=O)OC(C)(C)C)CC2)C1 2352327449 QBHOPZNJYFNZMY-UHFFFAOYSA-N 467.563 2.818 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2359277033 IHBQHMUGBNELDJ-DOPJRALCSA-N 498.838 2.925 30 10 JFEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1F 2365477407 MZFWERWNCBAZSQ-HNNXBMFYSA-N 466.359 2.703 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2371930999 OTBNTHGYEUAYQU-QWHZDKJVSA-N 464.343 2.781 30 10 JFEE C=CCN1C(=O)/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 2252292 XYTWOBASLVXYDC-AKCBPTIMSA-N 499.433 2.740 30 10 JFEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1 21328148 CLYPOYYOKXWTDT-YDZHTSKRSA-N 456.528 2.829 30 10 JFEE Cc1c(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 33811943 BXDRSQMFONHCPQ-GZTJUZNOSA-N 474.608 2.868 30 10 JFEE C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)C(=S)NC(C)C 36032171 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457.525 2.856 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286422591 BMJWYGUCTUZRAX-DEOSSOPVSA-N 498.605 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286424826 MUKFDLUYLZGCQH-IBGZPJMESA-N 489.584 2.639 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](OC)C(C)(C)C)CC1 1286488205 WMWGMIYZUGEEFD-HXUWFJFHSA-N 468.558 2.880 30 10 JFEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286691008 AOTHJNKWJJSANR-UHFFFAOYSA-N 479.585 2.659 30 10 JFEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286712504 APINIXKCFCTQMC-UHFFFAOYSA-N 452.584 2.881 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1286738779 CYZAKXSVXFSQGK-CJAUYULYSA-N 478.553 2.667 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1286745930 ZDEDPNPBUFLVRU-IBGZPJMESA-N 458.563 2.777 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286782589 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483.638 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOc2ccccc2C)CC1 1359044493 HKSCIZCVHQGXIC-QFIPXVFZSA-N 465.598 2.915 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359051719 IHSONJBAGSRFKM-HXUWFJFHSA-N 474.594 2.581 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1359058956 VZRWIRVORUBMRM-UHFFFAOYSA-N 456.522 2.983 30 10 JFEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCc1cnccn1 1359082234 COYKJRDEULNFRO-UHFFFAOYSA-N 467.331 2.971 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359097354 NXYMLWZCUBMHQY-ZOBUZTSGSA-N 452.481 2.759 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359119624 FHSHXEKGWSAHEO-UHFFFAOYSA-N 456.591 2.529 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2nccs2)C1 1359135511 FWVYPYFLOYQOJG-INIZCTEOSA-N 474.612 2.897 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(S(C)(=O)=O)CC1 1359142116 AVZAKAIPUMPKHF-KRWDZBQOSA-N 453.996 2.869 30 10 JFEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCSC1 1359226139 XPCNGZLPWKJJQC-MRXNPFEDSA-N 450.634 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359334401 DMQUPTIDXNTQGE-UHFFFAOYSA-N 486.560 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(O)(c3c(F)cccc3F)CC2)nnc1C(C)(C)C 1359335190 CXDFMLULLVZCRH-UHFFFAOYSA-N 468.570 2.943 30 10 JFEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCC)CC1 1359341139 MXKNFFNSXBEUJK-UHFFFAOYSA-N 460.604 2.668 30 10 JFEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1435596695 KEJWAZZRDWEMQU-NRFANRHFSA-N 454.548 2.739 30 10 JFEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)CC1 1449063068 PSUDAASCQCWKDH-UHFFFAOYSA-N 456.340 2.749 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1476223232 MCEZMBJJGOKRMS-SFHVURJKSA-N 457.477 2.816 30 10 JFEE CN(C)C(=O)CCCn1c(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nnc1C(C)(C)C 1503364753 BZVMKAWJJKUGOK-UHFFFAOYSA-N 480.573 2.890 30 10 JFEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCN(C(C)C)CC2)cc1 1504225077 GXUBEKSPUCJYCV-XMMPIXPASA-N 470.593 2.749 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2CCN(C(=O)OC)CC2)c1 1507549811 PGANDAMJYBPOLH-UHFFFAOYSA-N 475.553 2.808 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507634769 MILQKEMZHUKEBT-UNMCSNQZSA-N 479.606 2.667 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1507637852 VKNQNNPNXBMQNU-IBGZPJMESA-N 477.569 2.645 30 10 JFEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507638356 PTTAPTRYJDRFEH-WMZOPIPTSA-N 482.075 2.801 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)c1ccccc1 1507641422 FMXMUERHKAPTBY-VWLOTQADSA-N 476.606 2.527 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1507648760 RPLAZMCMWAXFKV-UHFFFAOYSA-N 485.592 2.615 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1507699724 JVMJAXZAZHUWSK-UHFFFAOYSA-N 482.560 2.771 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](OC)C(F)(F)F)CC1 1507735352 UAWWIUAGJKXDMY-INIZCTEOSA-N 484.910 2.927 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCC(C)CC2)CC1 1507742761 POLGQUIVMQHWEK-UHFFFAOYSA-N 462.642 2.875 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1507749958 DGUIKPQVBCPEIR-LJQANCHMSA-N 469.640 2.673 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CN(CC(C)C)CCO1 1507764081 IXLYFUSCYZPXMK-PXDATVDWSA-N 485.654 2.698 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507830556 HLIVCUFRFPEPJN-FQEVSTJZSA-N 494.600 2.756 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507841605 ZEHPBQKWCDFPMU-UHFFFAOYSA-N 492.580 2.912 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1507911084 IIOXAQZGRHCJCW-UHFFFAOYSA-N 451.579 2.874 30 10 JFEE C=CCC(C)(C)Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1507920228 VANJJYNVKHLNJN-WDZJFXIESA-N 488.677 2.521 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC(C)(C)C1 1508071868 FOZVIKAMPXJDCO-MRXNPFEDSA-N 473.647 2.721 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1508077543 OAXKNGPTROWDOK-UHFFFAOYSA-N 450.543 2.874 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN2CCOC2=O)C1 1508127470 LGYZUNAASMEYKU-OTWHNJEPSA-N 490.605 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(C)C)CC1 1508146276 WGCDMRCBWZTNRH-UHFFFAOYSA-N 467.586 2.715 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1508168442 QQWHTQPLLUSPFF-RCCFBDPRSA-N 488.662 2.648 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)[C@@H](C)C1=O 1509429254 CGUSUSAFTCKCKO-IBGZPJMESA-N 495.628 2.727 30 10 JFEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)C1 1514224647 ICBKRUXHPQRFQW-BHDDXSALSA-N 466.586 2.753 30 10 JFEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCc1nnc(C)s1 1516565238 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1540876597 WGQIVCWSDVTAKX-QUCCMNQESA-N 498.632 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540905662 VHKBVSNMNHUSCP-SBUREZEXSA-N 496.580 2.522 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540919782 WJLKOBNAHMABPK-IBGZPJMESA-N 466.615 2.581 30 10 JFEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)C[C@@H]2C)CC1 1540972228 DZSLJUTZODMPJR-JXFKEZNVSA-N 475.519 2.758 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1542256348 HPTHDAHAIFXJKL-WZONZLPQSA-N 457.600 2.886 30 10 JFEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1546921955 AJKIKBXFXSMDAI-HXUWFJFHSA-N 451.575 2.704 30 10 JFEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1547529817 GSYAXLGQCWYLJG-UHFFFAOYSA-N 472.553 2.544 30 10 JFEE COCC(=O)N1C[C@H](C(=O)NC2CC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376077 KOHFBQOADNNTOS-LJQANCHMSA-N 464.488 2.547 30 10 JFEE N#Cc1ccc(N2C[C@H](C(N)=O)C3(CCN(C(=O)c4ccccn4)CC3)C2)cc1C(F)(F)F 1548377690 UZPSFLLHZCBUIO-GOSISDBHSA-N 457.456 2.816 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1554149234 FQWPEKZHECHVIZ-INIZCTEOSA-N 489.399 2.978 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)C1 1554405242 CXIBUIOZQOYAER-RUZDIDTESA-N 466.586 2.898 30 10 JFEE C#CCn1cc(CNC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)cn1 1568548848 OOMGTSDIFDZGBD-UHFFFAOYSA-N 453.222 2.808 30 10 JFEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(OCC(F)(F)F)nc1 1587922054 QMCCVCZXIPUJIB-FQEVSTJZSA-N 453.465 2.578 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1588473501 NVIOSOCBUMRFGZ-SANMLTNESA-N 483.588 2.968 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1nc(C)cc1C 1588613167 UQYDQJDAYAYYMY-UHFFFAOYSA-N 450.543 2.706 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)cc1F 1588628359 HIBRHVLGHUXKBK-UHFFFAOYSA-N 470.574 2.820 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2cnn(C)c2C)CC1 1588790831 DUXLEYTXQAMLDL-UHFFFAOYSA-N 463.586 2.588 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(Cl)cc2)CC1 1588968994 UJAZSLJNRXCIJC-UNMCSNQZSA-N 486.016 2.864 30 10 JFEE C#CCSCCn1c(N2CCC(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589125585 LRYSMTOPNSGKIB-RUZDIDTESA-N 489.686 2.914 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1589658096 RVZWZBOFPOONMI-SFHVURJKSA-N 459.599 2.872 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(N3CCOCC3)n2)CC1 1594009976 UOQWGQUUDMSXOD-UHFFFAOYSA-N 453.591 2.633 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)c(O)c1 1594866114 AABUUTQYTKIMFG-UHFFFAOYSA-N 456.572 2.931 30 10 JFEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1595319441 QMICTJAYFKWUES-NZQKXSOJSA-N 472.609 2.974 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1595522745 JQMXAAXQIJOPGH-UHFFFAOYSA-N 471.924 2.878 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1607592946 GKKFAPDCUVXMFS-DHIUTWEWSA-N 452.603 2.539 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)c1ccccc1F 1613594320 GRXZRQQWGOOHKO-SFHVURJKSA-N 457.554 2.591 30 10 JFEE CCCOc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1615025122 GECIVEZSAPJKLN-FQEVSTJZSA-N 489.580 2.923 30 10 JFEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](CCOC)C2)c1=O 1615732214 HGZZDSQRMDYXBN-HXUWFJFHSA-N 462.554 2.821 30 10 JFEE CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1615843975 BFSGNPUZLIOAIO-JOCHJYFZSA-N 475.645 2.674 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1615905770 GNCJOFWGPKOWLO-OAHLLOKOSA-N 491.390 2.607 30 10 JFEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(S(C)(=O)=O)CCCC1 1616910668 ICEZLJFSNZTJRT-UHFFFAOYSA-N 490.605 2.509 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1619770314 DGTODCUCLDZAEN-DHIUTWEWSA-N 461.538 2.970 30 10 JFEE CCOC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(Br)c1 1623731551 DTAZNFYLPZNCQU-SFHVURJKSA-N 458.312 2.861 30 10 JFEE C=CCn1c(SCC(=O)N=[S@@](C)(=O)N(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640556079 JLLDICMKLKNCKL-WUTCKBNWSA-N 454.643 2.962 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1689929764 DFLQSQXZUOURNW-IEBWSBKVSA-N 493.427 2.934 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689992930 QYFSEEAFICJGTG-HXUWFJFHSA-N 460.575 2.594 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689996992 SXTGMLJCYOJXRA-MISYRCLQSA-N 493.029 2.688 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1690041910 NJQVGNLFAMXKDS-RUZDIDTESA-N 465.623 2.625 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1690061423 XSZGNHFMJDBYGS-VWLOTQADSA-N 459.635 2.813 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690124696 RERXSYRGCFJTLI-UNMCSNQZSA-N 486.661 2.820 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)COc2ccccc2OC)CC1 1690125053 ZWCLIBPLEWBSKZ-NZQKXSOJSA-N 453.587 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CCOCC2)CC1 1690150549 MBDGYTCVTMTZIC-UHFFFAOYSA-N 488.683 2.512 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C)nc2)CC1 1690152690 UYNSGZWYCKBWBV-UHFFFAOYSA-N 462.529 2.714 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)NC)CC1 1690253002 LNICQLAJKAGDQE-GCJKJVERSA-N 457.550 2.940 30 10 JFEE C=C(C)COCCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690320137 KVBZGVSBCGKIJN-RUZDIDTESA-N 470.618 2.935 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690475626 YASUPNSMYAMYOE-LJQANCHMSA-N 460.560 2.824 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C 1690622314 MVNLWSWCRRMORA-RTBURBONSA-N 450.628 2.982 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCn2cnnn2)C1 1690688331 SQYSLIRMXCMHAC-KRWDZBQOSA-N 459.352 2.566 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1690706290 HUXIENVCTGAFFC-JOCHJYFZSA-N 467.595 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCOCC2)C1 1690715744 SUZBNUKIRMITAH-GOSISDBHSA-N 494.589 2.544 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1690732010 TXJYSSCETCYQQK-RTBURBONSA-N 466.991 2.962 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)[C@@H](C)C1=O 1692423822 GTBMXRXSWOYKBT-NRFANRHFSA-N 492.672 2.536 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2CC2(S(C)(=O)=O)CCC2)cc1C 1693108103 HDIKFSMVZDEJNE-KRWDZBQOSA-N 458.588 2.853 30 10 JFEE Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)s1 1693335412 BEPYPJXHLOPXRB-GOSISDBHSA-N 486.623 2.668 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)n1 1693420796 BCWDIKYLKOWUOL-UHFFFAOYSA-N 490.612 2.785 30 10 JFEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCOC1 1696022099 FOPDPJIGCXHNRI-RUZDIDTESA-N 461.570 2.948 30 10 JFEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1697634884 DMXFOUBVEZGOKZ-UHFFFAOYSA-N 459.554 2.963 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1705477598 QDKFWWHFXQALIV-XYJFISCASA-N 466.007 2.953 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705520551 YCQZZEZANCELHE-SFHVURJKSA-N 451.600 2.876 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)C)CC1 1705535049 YXFPINBOAQTXHU-HXUWFJFHSA-N 460.623 2.920 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705570409 MYRDRRGHOYJZSK-QMMLZNLJSA-N 462.591 2.696 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CCS(=O)(=O)CC1 1705577008 UHAKHDLLTRBGES-UHFFFAOYSA-N 491.411 2.614 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncnn1-c1ccccc1 1705587800 JMKLCBFSNHZNEY-BGYRXZFFSA-N 486.580 2.751 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C(C)C)N1CCCC1 1705628637 LYUXMKSEHXTUOR-NZQKXSOJSA-N 453.587 2.997 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCO[C@H]2C)n1 1705631397 COEOAXWYSGVOTG-UUOWRZLLSA-N 484.988 2.621 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](C)CN2CCOCC2)CC1 1705634668 FSQDXXBFRQMTDJ-UPVQGACJSA-N 450.631 2.544 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccc(C)n2)CC1 1705644138 ZANLPYKXIDFXJS-GRGXKFILSA-N 479.629 2.750 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](F)COC)CC1 1705645085 KRAXBXSSHZCOCR-VQIMIIECSA-N 461.513 2.508 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)CN(C)C)CC1 1705650562 UFPZAXAOXQFVIT-UHFFFAOYSA-N 475.641 2.904 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@@H]2COCCO2)CC1 1705652629 HKNUZNDCMNLTRE-OAQYLSRUSA-N 483.638 2.650 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1705676110 MYHNKMFTHBMZFT-JOCHJYFZSA-N 470.624 2.604 30 10 JFEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705720328 OKWLHADEHPNFNX-IBGZPJMESA-N 466.652 2.603 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(F)(F)F)CC1 1705736267 PKBPEBVCFGRESR-UHFFFAOYSA-N 470.496 2.673 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)O[C@H](CC)C2)cc1 1705911992 WEHGZTWTADGSJJ-DFQSSKMNSA-N 460.600 2.797 30 10 JFEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705941083 YMEROEUACZOEEX-KRWDZBQOSA-N 473.599 2.701 30 10 JFEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705943806 KUHYQBNEDZLPHL-INIZCTEOSA-N 460.629 2.864 30 10 JFEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705948349 QBUGBKPXJRZQTB-QFIPXVFZSA-N 468.671 2.725 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCOCC1 1708691305 DTERGJXCGQOTPO-QPPBQGQZSA-N 454.623 2.946 30 10 JFEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1710862776 GCDRPJPWMVLQSK-SFHVURJKSA-N 475.615 2.683 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCc2sccc2C1 1722299275 NTSPSJGCUSKHGU-MRXNPFEDSA-N 454.625 2.847 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2c(C)nn(C)c2C)c1 1722306432 ACKZLGAWLSYKAI-UHFFFAOYSA-N 468.565 2.719 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@](C)(CC)O2)c1 1722310030 REBFWOISHHLBQW-FZOAFFARSA-N 499.637 2.584 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@H]1CC 1722332156 FAILRZAVWRRBEW-MSOLQXFVSA-N 463.629 2.600 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1722332945 QFHZUEQOEZHHNT-GURQWTFNSA-N 491.658 2.960 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722360862 WNXYAZKZRKJSKE-MJGOQNOKSA-N 478.521 2.866 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1722371448 WOOILUMIMQKOSC-KURKYZTESA-N 464.538 2.761 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)C(C)C 1722429768 VYFMJKQZSODQRO-DVECYGJZSA-N 463.623 2.886 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(OC)CCOC2)CC1 1722434832 XFNFGZJLNNQNTK-NRFANRHFSA-N 450.370 2.813 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)N(C)C)CC1 1722443269 QHFKJBXHEZMOHS-HNNXBMFYSA-N 491.409 2.763 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccnc(OC(F)F)c2)CC1 1722449400 RDZACLHGTCFROK-UHFFFAOYSA-N 486.548 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H](OC)C(F)(F)F)CC1 1722449438 SGUJAJBTBMXLPV-KRWDZBQOSA-N 484.548 2.567 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722495327 GNZACEIWHBQWFC-NJYVYQBISA-N 455.584 2.811 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1722525177 RDDCKNQYOSOHBR-HNNXBMFYSA-N 474.612 2.691 30 10 JFEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722551828 DPVOETUHYWLWKJ-UHFFFAOYSA-N 472.037 2.787 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1722661217 XDBWVVQFMLNSJE-UHFFFAOYSA-N 463.629 2.593 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(C)C)C(=O)C1 1722690502 JNLGSELGWXPEFH-HXUWFJFHSA-N 468.602 2.642 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@@H](C)C1 1722693178 FWUKURITKYKPGI-ZDUSSCGKSA-N 452.328 2.764 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCn2ccnn2)C1 1722721977 KWRGPCGOFKYRQD-MOPGFXCFSA-N 472.594 2.813 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722724039 LLRIEIAYBHPMOM-UHFFFAOYSA-N 489.985 2.755 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C)C1 1722724144 OOPJJADGOWMUPQ-ULQDDVLXSA-N 452.552 2.772 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C1 1722753944 GMVIJPXXWOCODP-REWPJTCUSA-N 479.629 2.622 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1727887714 DVKXSUQPQBFTRJ-UHFFFAOYSA-N 465.602 2.864 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1727927986 GTWYAMOTCXHHBQ-NFBKMPQASA-N 479.629 2.670 30 10 JFEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1729372391 CHSUAAALKMZKRK-QHCPKHFHSA-N 479.629 2.622 30 10 JFEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1)CC(F)(F)F 1729530460 HUPFSURWMWRFBP-UHFFFAOYSA-N 479.551 2.858 30 10 JFEE CO[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1729837827 HHRZXKKGWNAPDX-BWKNWUBXSA-N 451.619 2.808 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730412067 GVQSOSBEPMCXHE-XZOQPEGZSA-N 452.603 2.722 30 10 JFEE COCCN1C[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1730776279 IEMGWDPNTKNAOX-RXFWQSSRSA-N 493.612 2.772 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740620721 XHTXXLCIJJYQSP-FQEVSTJZSA-N 472.611 2.930 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740621041 ZPUWSXLAMADJKR-GOSISDBHSA-N 471.564 2.898 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740623666 YVQMCDTTXNQPBV-LJQANCHMSA-N 483.594 2.778 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1740650684 JOXYPCMWIBGQBS-NRFANRHFSA-N 457.525 2.773 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740654304 IDDNNPCIVUKHSW-RUZDIDTESA-N 454.578 2.628 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)N(C)C2CCCCC2)CC1 1740706766 BSSYZJUBUZYMDX-UHFFFAOYSA-N 490.652 2.934 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCCCC2)CC1 1740707041 MGGLCLPLIZVGPN-UHFFFAOYSA-N 453.562 2.669 30 10 JFEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](COCC)C1 1740739846 CDFOTVACZKHUHC-HNNXBMFYSA-N 459.352 2.692 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1740856234 RSTULGONPRDSKF-WOJBJXKFSA-N 473.643 2.891 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1740930910 UDFKFPRBWDVIIB-MRXNPFEDSA-N 454.556 2.740 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1740937681 LZMMHRQNPRSEEH-SFHVURJKSA-N 493.630 2.875 30 10 JFEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1740942816 KVUMXFYVJWPTNX-IUODEOHRSA-N 460.373 2.984 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740964163 JORKFNCGTWPBIY-GOSISDBHSA-N 453.522 2.645 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](COC)C1 1740964537 DRLYQKXPNAMMPG-ROUUACIJSA-N 462.595 2.515 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740986831 IORCIZBOVIPHOT-MRXNPFEDSA-N 467.665 2.523 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 1740998832 SCRCAZQIRXDEDV-GOSISDBHSA-N 457.600 2.988 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1740999009 WADQUQOVRWTPIY-UHFFFAOYSA-N 460.604 2.733 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1741139143 AVXMCMYSMURCQI-ZIAGYGMSSA-N 475.525 2.850 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1748672380 SUHSGIBSFZJCBL-FUHWJXTLSA-N 469.542 2.821 30 10 JFEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1748753572 NHJFSIGDYDOBNJ-UHFFFAOYSA-N 463.561 2.801 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748810271 VHHBQZTVZKVYNQ-NNMXDRDESA-N 467.595 2.649 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748822063 WXUDARPZGMCQMH-ICSRJNTNSA-N 493.674 2.798 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1Cn1cccn1 1748830166 PWSOFPJPXMAJJF-SANMLTNESA-N 458.566 2.685 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](CC)N1CCc2ccccc2C1 1748830443 WKECFSZQESYDTJ-RPLLCQBOSA-N 461.610 2.840 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cn(CCCC)nc1C 1748846996 OBVIJURDVFJKSK-UHFFFAOYSA-N 471.613 2.878 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCNS(=O)(=O)CC 1748882634 ZWVJGQZIICTNOT-GOSISDBHSA-N 473.668 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1748887100 TTZRVZUOWUOOQJ-NRFANRHFSA-N 471.609 2.870 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccccc1OC 1748949482 BMAAIHARICZJKY-UHFFFAOYSA-N 482.610 2.690 30 10 JFEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1748972252 DQHDJXUWDZNEFG-QHCPKHFHSA-N 450.631 2.713 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1748999545 ZUAVWMFIKIYJLS-QHCPKHFHSA-N 455.559 2.721 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1749018639 BQGHFQKKGPSRBB-LAUBAEHRSA-N 455.534 2.702 30 10 JFEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749184374 RQNVYISDQWCYER-HSALFYBXSA-N 498.609 2.519 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1749249310 AYDOSSAVCPDYIZ-UHFFFAOYSA-N 450.890 2.963 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(C)C)CC1 1749655703 PUWRNLDQBJKOQR-UHFFFAOYSA-N 477.407 2.549 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](COCC)C1 1749668989 BFCIDKASEVCQOY-UXHICEINSA-N 490.649 2.948 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[S@](=O)C(C)(C)C)C1 1749709812 SCGHRNCERFXGMI-KXSVPLAASA-N 470.599 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1749721684 QTRVAOALKLQFMH-KXBFYZLASA-N 492.473 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCOC1 1749724208 HRUMIXVMCOXQBV-OAHLLOKOSA-N 486.436 2.510 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1749734559 KOYNBHKLKILVFK-UHFFFAOYSA-N 477.034 2.929 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760120008 FXVBDJCZUVEAEP-NRFANRHFSA-N 473.625 2.921 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1760189134 OACOTSMYSKKNJJ-GOSISDBHSA-N 487.532 2.925 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1760208140 KQUOEBYYCLKKGU-QHCPKHFHSA-N 474.609 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2OCCC2(C)C)CC1 1760273256 MVWFSQPHGRSGRN-NJDAHSKKSA-N 471.646 2.978 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)CC1 1760277174 CNTUWNVYEJQHPY-UHFFFAOYSA-N 452.353 2.539 30 10 JFEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760278452 VLMDFTAHVSUVGF-UHFFFAOYSA-N 452.506 2.601 30 10 JFEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1760279243 WIPBKFOQQZCLFC-UNMCSNQZSA-N 481.670 2.523 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760297723 GJROCGIRISBLRA-YADARESESA-N 487.626 2.529 30 10 JFEE C=C(Cl)Cn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760380619 JBOPPCPFGFLGKP-UGKGYDQZSA-N 464.998 2.790 30 10 JFEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760429716 MZIXOJBWMRJZJI-UHFFFAOYSA-N 460.542 2.672 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1)C1CC1 1760476927 KJJQBUVBEJATMA-QGZVFWFLSA-N 459.563 2.591 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCOCC1 1760482251 UJDWCFDRVWFJMD-HXUWFJFHSA-N 461.570 2.839 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC3(CCC(F)(F)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760528889 PTGIQGVIPASUIR-NRFANRHFSA-N 453.534 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1760552470 PBENNJKGDWALLY-GOSISDBHSA-N 470.574 2.795 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760558310 LVODJHITQFHPHS-YLJYHZDGSA-N 464.563 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1760558726 YGQDEDXPHIIKBR-FGSXEWAUSA-N 452.621 2.589 30 10 JFEE CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1764031578 FLMFEDDZUVDOLL-FQEVSTJZSA-N 486.642 2.584 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1767934453 DNVBSDJMEIVFLJ-UHFFFAOYSA-N 484.605 2.711 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnn(C)c2)c1 1769942818 BGXSNTNDXPXYGW-IBGZPJMESA-N 460.311 2.940 30 10 JFEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nc1 1858293206 NTDFQNMTTPKTIN-UHFFFAOYSA-N 497.558 2.682 30 10 JFEE 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Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 2283988024 PQYGAOQZOBLYAB-IBGZPJMESA-N 459.396 2.784 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2285190192 PRFJYNHQDALLDV-DZFIZOCASA-N 457.380 2.627 30 10 JFEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2289795262 CYYCQAUBOWSEEW-HNNXBMFYSA-N 482.408 2.925 30 10 JFEE CC(C)[C@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCCN(C(=O)OC(C)(C)C)C1 2289945137 HBXPILQHTOVHKQ-QHCPKHFHSA-N 462.400 2.864 30 10 JFEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OCC 2325633193 TULZCEHXPHAZRV-UHFFFAOYSA-N 460.508 2.530 30 10 JFEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1C(=O)O 2329058777 QXTZZAVOBHEDEH-INIZCTEOSA-N 473.555 2.628 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2336777897 HIBLYUZBISCGMI-HXUWFJFHSA-N 456.295 2.953 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 2362335748 AHFQUSNHWWLWFB-UHFFFAOYSA-N 456.352 2.996 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)(C(=O)O)C1 2364699541 LEPQYLBPKBLNKP-HSZRJFAPSA-N 458.320 2.700 30 10 JFEE Cc1nc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)ncc1B1OC(C)(C)C(C)(C)O1 2369956587 DGBRKMXMYULFKD-VYDXJSESSA-N 458.368 2.668 30 10 JFEE COC(=O)c1ccc(/C=N/Nc2nc(SCCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1 20906076 XSQWFZFAAUVIRV-WYMPLXKRSA-N 482.522 2.565 30 10 JFEE COc1cccc(/C=N/Nc2nc(SCCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)c1O 21079948 RAYXKARWVCHLRC-RGVLZGJSSA-N 457.472 2.994 30 10 JFEE Cc1cc(C)n(CC(=O)Nc2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(=O)c1C#N 21354385 XJHUPUNSKFBKRO-UHFFFAOYSA-N 493.564 2.668 30 10 JFEE COc1ccc(-c2csc(N3N=C(C)/C(=N\Nc4ccc(S(N)(=O)=O)cc4)C3=O)n2)cc1 100341603 VSSIYBSRGXJQIT-HKOYGPOVSA-N 470.536 2.657 30 10 JFEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1 103106441 HERJYNZFNCLJBH-RKKARLDVSA-N 454.498 2.978 30 10 JFEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2CCN(C)C)c1OC 169951158 VTTUJJFZXFIMSG-NRFANRHFSA-N 452.507 2.779 30 10 JFEE Cc1ccc(S(=O)(=O)NN=Cc2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 254310954 LCGRPTPEOUYVGD-UHFFFAOYSA-N 475.504 2.983 30 10 JFEE CON=C(C(=O)NN1C(=O)/C(=C\c2ccccn2)N=C1c1ccccc1)c1csc(NC(C)=O)c1 254518400 YGVOKKCQCPIFOS-IKTZKMIRSA-N 488.529 2.813 30 10 JFEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCCc2ccc(OC)c(OC)c2)C1=O 726890507 WHPSDUGJBDYVNV-LJQANCHMSA-N 472.567 2.808 30 10 JFEE COc1ccc(CCn2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729671253 SKBMIJQHLILYFD-UHFFFAOYSA-N 472.570 2.537 30 10 JFEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 729672724 DVERNNQFJXPZGD-CQSZACIVSA-N 463.950 2.713 30 10 JFEE C=CCN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Cc1cccc([N+](=O)[O-])c1 745169062 GHGJCNRWCZAZRI-BOPFTXTBSA-N 484.578 2.728 30 10 JFEE COCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470620 KGFDIEPUWWTTOO-QFIPXVFZSA-N 450.491 2.525 30 10 JFEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cc1 1084075159 KLEGCGZIFOOUGY-UHFFFAOYSA-N 453.528 2.572 30 10 JFEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(-c2nccn2C)cs1 1150780859 BQGVOUXQALBMOB-AWEZNQCLSA-N 458.569 2.636 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 1186094191 AVEAASHTJMTHIK-UHFFFAOYSA-N 453.973 2.591 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 1190437062 BECNLOHZXNDYQM-MOPGFXCFSA-N 453.536 2.780 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1 1264609675 ZOMOIVBHUZLNQP-IRLDBZIGSA-N 457.552 2.660 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)(C(F)(F)F)C1 1264768915 AGQFGUYYUCZNCC-HXUWFJFHSA-N 453.465 2.791 30 10 JFEE CN(CCn1cc(Br)cn1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1274941316 GQTBBZAWIVBBMK-ZDUSSCGKSA-N 450.724 2.682 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)c1 1286309546 MRZASVSXODSRGJ-NHCUHLMSSA-N 491.621 2.650 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CCC[C@H](C)C2)c1 1286312742 ZPAVWRPEYMRUMA-FQEVSTJZSA-N 488.640 2.928 30 10 JFEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286322000 XALNGYNLENZSCC-NRFANRHFSA-N 452.584 2.948 30 10 JFEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286339891 RWMBMPYMIXUMCG-FQEVSTJZSA-N 459.598 2.799 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1286415096 JNLPKSBDSMINJP-UHFFFAOYSA-N 460.582 2.507 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(CCC)CC2)CC1 1286478937 DVVMYFSQQRKVJY-HXUWFJFHSA-N 472.634 2.922 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2CCCCC2)CC1 1286483495 NHLKDCZIFOEVLS-UHFFFAOYSA-N 450.631 2.703 30 10 JFEE C=C(Br)Cn1c(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1286548248 VEXUVVYEQILKJP-QAPCUYQASA-N 467.456 2.863 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286562897 HNYYDCJMNWZICV-SBHAEUEKSA-N 451.637 2.510 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1286582236 USCHXPRNNVWCOI-KRWDZBQOSA-N 464.588 2.657 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286591161 BHISYGLYTSPOEZ-UHFFFAOYSA-N 496.612 2.636 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286601183 IGSIOGJWNHBGRP-UHFFFAOYSA-N 491.600 2.758 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1286662877 BBHRQTRAESZWOL-PCCBWWKXSA-N 495.690 2.855 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286714584 SVVHATDXXZZPPV-HXUWFJFHSA-N 461.513 2.849 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286771132 YHKZRSOQZMQGPM-QGZVFWFLSA-N 451.531 2.590 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286792612 DBGSFZAIHYPBSW-UHFFFAOYSA-N 488.621 2.774 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286798607 LZGYXNBCGWLLKZ-RUZDIDTESA-N 469.586 2.648 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286817893 ZEDHUFMMQSLVBK-GOSISDBHSA-N 477.606 2.674 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286821023 YNKUILITONLECB-QFIPXVFZSA-N 489.642 2.846 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286823937 RXTABMOOFNPDHX-MRXNPFEDSA-N 452.625 2.781 30 10 JFEE C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)N(C)C1CC1 1288599129 HSQYXHDIQJGUSV-NYHFZMIOSA-N 459.957 2.786 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1295161524 GHOUVVAYILUMMN-INIZCTEOSA-N 473.509 2.606 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 1300332854 PYKODFGJAMJJNB-QZTJIDSGSA-N 461.570 2.938 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2sc(C)nc2C)c1 1300337305 YSABBSDRCHLSDX-UHFFFAOYSA-N 477.594 2.578 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C1CCCC1 1300363191 CKVWEDKVIPAISA-FQEVSTJZSA-N 451.637 2.820 30 10 JFEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1300417348 SRCKNMFKMIDAMY-UHFFFAOYSA-N 464.595 2.578 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1300488780 WGSJNKQGHZYVEG-SFHVURJKSA-N 472.640 2.698 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300501307 JBAJHGRSXJDXHE-NHCUHLMSSA-N 461.676 2.758 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300502769 WYAPBLNBXJNJTE-XZOQPEGZSA-N 499.681 2.647 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300503783 FNFCGGLPVKADIY-QFIPXVFZSA-N 485.654 2.668 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCOC[C@@H]1C 1300519851 CIIYGWLYRPEEIK-KRWDZBQOSA-N 472.387 2.510 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1300591704 VFXRZJPDMAPZGS-UHFFFAOYSA-N 485.636 2.608 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300642226 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474.675 2.985 30 10 JFEE C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)N(C)Cc1ccccc1 1611379688 FALVTAXKUZPDAM-TZIWHRDSSA-N 474.569 2.565 30 10 JFEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 1623169026 IKPCFKCAOGOHMD-IBGZPJMESA-N 455.486 2.833 30 10 JFEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)ncc2Br)CC1 1624728901 TZQFCMIYCZBLSY-UHFFFAOYSA-N 451.122 2.836 30 10 JFEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1625172426 OWQXXGKLUUIVHV-FUHWJXTLSA-N 454.976 2.937 30 10 JFEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1634472152 FQHWLIRUPIPAPQ-LJQANCHMSA-N 457.556 2.525 30 10 JFEE N#Cc1cc(S(=O)(=O)NCc2cccc(C(=O)N3CCOCC3)c2)ccc1C(F)(F)F 1663526339 HQPSEPZFGDYALQ-UHFFFAOYSA-N 453.442 2.528 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1 1689932204 UMFRESAATQWTFS-VQTJNVASSA-N 458.607 2.674 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689993200 XNDXKKILXUQPGC-RTBURBONSA-N 484.544 2.771 30 10 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C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1690264847 FIYQPWPRRXFJMS-IBGZPJMESA-N 496.678 2.831 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](COC)C1 1690311975 YEAPETHBMXESKW-FQEVSTJZSA-N 479.622 2.837 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OCCOC)CCOCC2)CC1 1690394595 FOLUBZCFRJGFPN-UHFFFAOYSA-N 470.574 2.540 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1690577545 JFIZKBYXOMQLQK-GOSISDBHSA-N 473.624 2.664 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1690596845 BRUWQAVMZUGFHK-OAQYLSRUSA-N 471.627 2.911 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)C2CCCCC2)C1 1690685131 WGBOLDNQPNCYPG-HXUWFJFHSA-N 453.591 2.971 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1690722656 QVMOKFAJHCEYNF-UHFFFAOYSA-N 467.599 2.716 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1690727177 WFXGINXNIIWDOT-UHFFFAOYSA-N 470.643 2.872 30 10 JFEE 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30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1749331493 MLZXVTMJJUIILW-UHFFFAOYSA-N 478.640 2.718 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1749382955 QHGKXJOJUGQFRC-RBBKRZOGSA-N 495.653 2.970 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H](O)C1 1749561109 FWEANRVXQJLGOW-QUCCMNQESA-N 459.616 2.925 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749679790 BBZVDLHMSKDHSU-UHFFFAOYSA-N 468.602 2.551 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)C1 1749712468 IWXWVLVJQFUOCI-VQTJNVASSA-N 462.641 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CC1 1749731393 CJLUHCSHDHTWOP-KRWDZBQOSA-N 467.636 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 1749740087 PDALEDIKRCVRRU-UHFFFAOYSA-N 465.595 2.518 30 10 JFEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1749756023 QOYITMVCCFJNSR-LJQANCHMSA-N 477.656 2.521 30 10 JFEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCC2(O)CCC2)cc1 1750382127 AYBKXBZKXSVEOI-KRWDZBQOSA-N 462.476 2.627 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)N2CCOCC2)c2ccccc2c1=O 1751140232 HTZYJNCPNPSQJT-RBUKOAKNSA-N 478.601 2.695 30 10 JFEE CC1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CC1 1752199501 GGCTYMIGWKVCGF-DOTOQJQBSA-N 462.396 2.885 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760130737 LISIMACKHTUODY-KRWDZBQOSA-N 463.579 2.879 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760146913 ZZPZRNXRGVGCJV-SJORKVTESA-N 491.434 2.827 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1760185487 YCFYQFXBSSZCLC-HXUWFJFHSA-N 485.654 2.702 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760192275 SHOGSMBJJBDTHN-RTBURBONSA-N 462.641 2.852 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760276008 QLMPXZKBHQPQSM-HXUWFJFHSA-N 474.652 2.968 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760280766 IUWAOONSJNUONF-DOTOQJQBSA-N 451.643 2.653 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc(Cl)nc2C1 1760310432 FAEHEEVWEGLRGZ-UHFFFAOYSA-N 451.756 2.920 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760335965 STMMQAPCUINTIL-ZOBUZTSGSA-N 455.481 2.558 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760351546 HGIANUDCJOCMLN-UHFFFAOYSA-N 483.548 2.811 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(C)C)CC1 1760357877 OOMJPLNAYIXEKF-UHFFFAOYSA-N 468.650 2.965 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(CCN(C)C)CC2)CC1 1760403939 MBZQPJJWEDGDRV-UHFFFAOYSA-N 466.634 2.601 30 10 JFEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760445127 AQARFUCUBORVOA-HOYKHHGWSA-N 490.004 2.838 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C)n(C)c1=O 1760500092 COELNBUJBJYCMR-UHFFFAOYSA-N 464.570 2.841 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(=O)NC)CC1 1760517098 CHMKQSAACLYJQP-UHFFFAOYSA-N 456.616 2.540 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCN(CC)C(=O)C1 1760519189 VKYDXCTVKGWSKE-UHFFFAOYSA-N 495.809 2.722 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1760520334 KHELIXLHPPACFC-UHFFFAOYSA-N 475.384 2.614 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@H]2CCOC2)CC1 1760528756 LNVIOUUVLHGUKB-PMACEKPBSA-N 488.633 2.905 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(F)(F)F)C1 1760549661 JMLATHICVRKGNJ-FQEVSTJZSA-N 464.536 2.986 30 10 JFEE CC(C)COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1761137853 ATKHFMWCGOKZGB-UHFFFAOYSA-N 468.558 2.558 30 10 JFEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1763657594 DSVMRCPERWQZAH-RTWAWAEBSA-N 484.626 2.669 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC1 1766648086 FKQNUSAJWJXLRZ-UHFFFAOYSA-N 463.611 2.917 30 10 JFEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1N(C)CCCC1(C)C 1769844996 FVACBJITEGNKSW-JOCHJYFZSA-N 495.676 2.939 30 10 JFEE CC(C)(C)OC(=O)N1CCN(c2nc(C(=O)ON3C(=O)c4ccccc4C3=O)cs2)CC1 1772788223 YEKRZNHDODWVNL-UHFFFAOYSA-N 458.496 2.568 30 10 JFEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N2CCC[C@H]2C(=O)O)sc2c1CCC2 1858788296 BUVZHCGJJUIGHF-AWEZNQCLSA-N 455.496 2.602 30 10 JFEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1862735257 GPOXYRZNXDUPSE-HXUWFJFHSA-N 455.442 2.644 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc(Br)c1O 1862747662 OHIAPUHIDHAXED-MRXNPFEDSA-N 493.266 2.642 30 10 JFEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1863330111 RVMRDZXJMDSIMU-UHFFFAOYSA-N 488.525 2.606 30 10 JFEE COc1ccccc1N1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868784937 ZMWCJLQXCKGMKL-UGKGYDQZSA-N 495.649 2.887 30 10 JFEE N#Cc1ccc(COc2cn(CCO)c(CN3CCN(c4ccccc4F)CC3)cc2=O)cc1 1870350687 QTLLJWUHPFYYQH-UHFFFAOYSA-N 462.525 2.753 30 10 JFEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CNc1cccc(N(C)C)c1 1870992085 KWTIVHKDNYTRCB-JOCHJYFZSA-N 454.571 2.729 30 10 JFEE CCCCCCCCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625240 IMWPZJHDYYYWLB-UHFFFAOYSA-N 465.606 2.809 30 10 JFEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874339134 KEFPOLPZNWHHSM-WPZNHYQYSA-N 490.542 2.544 30 10 JFEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1879737806 OBWSCNAJMJFMPK-HKARXFIJSA-N 451.417 2.916 30 10 JFEE CN1CCN(CC#CCOC2CCN(C(=O)CCc3ccccc3Br)CC2)CC1 1889429432 SXFBVCPLOCHWFS-UHFFFAOYSA-N 462.432 2.640 30 10 JFEE Cc1ccc(=O)n(CC2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)n1 1889551923 BPRYZEVHTLWPBL-JWQCQUIFSA-N 493.633 2.756 30 10 JFEE CN1CCN(CC#CCOC2CCN(C(=O)c3c(F)ccc(Br)c3F)CC2)CC1 1890658436 YASBAIQHEQWQAV-UHFFFAOYSA-N 470.358 2.599 30 10 JFEE CN(CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1)c1ncccc1C#N 1891382784 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JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286833784 OVFYBFRSGFATLN-SZPZYZBQSA-N 497.713 2.810 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H](C)C1 1286960612 HUDLDUOHAHPAKL-KURKYZTESA-N 460.604 2.606 30 10 JFEE Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(=O)N(C)C 1289160554 ATLXJHQTGIOZNS-SFHVURJKSA-N 465.583 2.974 30 10 JFEE C[C@@H]1CCCN1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 1291136650 BBMNPJLERNCMJQ-NTKDMRAZSA-N 485.658 2.810 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)C1 1296410799 BRNRCAOABSIYAJ-SFTDATJTSA-N 451.575 2.872 30 10 JFEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1300372465 RMYMFBZSIKVAPZ-NRFANRHFSA-N 453.587 2.909 30 10 JFEE C#CCCCCn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@]1(OCC)CCOC1 1300376559 LTUIXHZJOGXRMR-DFBJGRDBSA-N 470.570 2.805 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1300390842 ARAUOQGMKJKWHD-OAHLLOKOSA-N 495.502 2.889 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300483393 LFNULFONYFDHMF-IEBWSBKVSA-N 459.522 2.879 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(F)cccc1SC)[C@@H]1CCS(=O)(=O)C1 1300499941 ZTLQFEOZOZMMKJ-GOSISDBHSA-N 485.610 2.800 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1300512070 MYPIFJSHVRCILE-YWEHKCAJSA-N 490.652 2.602 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1N(C)CCCC1(C)C 1300619449 XXVPEXAHNZJBMT-IBGZPJMESA-N 457.648 2.818 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1300654061 RXELZDFVKTWQIN-VWLOTQADSA-N 489.617 2.583 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300741129 NQVRSXWGLNUOCO-QGZVFWFLSA-N 483.573 2.510 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 1300885003 NNOUGPSTYZRFAD-SXLOBPIMSA-N 495.671 2.680 30 10 JFEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300964071 MVVLVFOUBOBOHF-JOCHJYFZSA-N 452.603 2.793 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300980177 MTBLKRIGUCUUDM-ZDUSSCGKSA-N 467.393 2.576 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1301016960 DGIJKDXVKVNDMT-KRWDZBQOSA-N 467.039 2.742 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1301087105 URVKLPGZVKFVAR-CTNGQTDRSA-N 475.615 2.543 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C(C)(C)C 1301422689 UEKWTNSZDUZJFX-LJQANCHMSA-N 454.575 2.892 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1301508821 VWLYIJLKUVNQNN-UHFFFAOYSA-N 485.013 2.735 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301529032 GZIGVXCPLJESHI-UHFFFAOYSA-N 470.599 2.794 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1301605823 ADAIPTYSJFTAEO-UHFFFAOYSA-N 452.544 2.889 30 10 JFEE C=CCSCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301624749 XUMSYGCUZDMGMI-JOCHJYFZSA-N 452.621 2.624 30 10 JFEE C[C@@H](CC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1302436904 HZCSZUZQNGWJGP-TUIFFPIZSA-N 465.934 2.943 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1303639614 FUYYGUDMFMIPNY-QRVBRYPASA-N 460.604 2.739 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c([C@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1306044250 GYNMRLGUZVQOMV-QGZVFWFLSA-N 478.649 2.938 30 10 JFEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1314662699 IBCJYGIPDMEDIZ-UHFFFAOYSA-N 465.646 2.953 30 10 JFEE CN1CCN(C(=O)c2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2)CC1 1355819028 FMHOBHVNMBGMKJ-UHFFFAOYSA-N 457.328 2.726 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC(OCC)C1 1358875786 VTJWMIACXZYWDM-FVYSKSNYSA-N 491.434 2.764 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cc2c(cc1OC(F)F)OCO2 1358896823 MRIVLOZWZMUUPZ-CQSZACIVSA-N 458.469 2.976 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1358930291 ROKQIRPLTDBKGN-LJQANCHMSA-N 490.029 2.600 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1358946020 FCJDGSGKZSHIOD-UHFFFAOYSA-N 477.613 2.541 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1358954730 SZKRTLBMZGAKAS-SFHVURJKSA-N 457.579 2.772 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1358960291 AZLZJUGUQQASEW-HXUWFJFHSA-N 465.579 2.802 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1358965203 PYMDBBBOJIEKPN-HXUWFJFHSA-N 489.523 2.958 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCS(=O)(=O)C1 1359020199 UYOWWTHZNKQXNL-QGZVFWFLSA-N 462.641 2.796 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@H]1COCCO1 1359021097 BIZDGEOFIKQCSF-KRWDZBQOSA-N 479.375 2.608 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)CC1 1359046681 BHHUXDFBGDQPML-UHFFFAOYSA-N 490.608 2.901 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(C)=O)CC1 1359050895 GNWZQVINFBCADL-UHFFFAOYSA-N 478.416 2.751 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1359055105 STBHRPPWTVNTLT-IBGZPJMESA-N 493.637 2.536 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1359056132 YSFOVTPGKQIIOI-UHFFFAOYSA-N 451.600 2.881 30 10 JFEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359080733 BORHHYLTZDFWST-UHFFFAOYSA-N 455.364 2.982 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1359108185 FEPFQPOLLJKWSC-HYBUGGRVSA-N 489.642 2.936 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccs1 1359132636 BIPZMHNONFPQQA-ROUUACIJSA-N 481.644 2.607 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1359159311 SHZGAQBHJOUXHK-ZWKOTPCHSA-N 477.631 2.941 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359289862 QECSOKJMAPIPRD-AWEZNQCLSA-N 460.387 2.868 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359309118 IPNLUKNAXMGNDT-OAQYLSRUSA-N 495.628 2.612 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCC(=O)N(C)C)C1 1359319420 YTGBHYWLXYVKPI-IBGZPJMESA-N 493.612 2.886 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1359929431 GCDFGXYXNDCWBK-IBGZPJMESA-N 494.662 2.813 30 10 JFEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 1435771832 AYUJRCYJFVCXRN-JOCHJYFZSA-N 451.958 2.963 30 10 JFEE Cn1c(CCC(=O)Nc2cccc(C#N)n2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1437071116 ABTIZOVGABWVOM-UHFFFAOYSA-N 452.540 2.586 30 10 JFEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1ccc2ccccc2c1 1441656754 GDXOSCLSONXRLI-UHFFFAOYSA-N 450.564 2.580 30 10 JFEE C#C[C@H]1CCCN(C(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)C1 1452474625 IICCAKTUKHLSOT-AWEZNQCLSA-N 452.349 2.621 30 10 JFEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)o1 1465905052 FFQFXMXDTMWFNK-INIZCTEOSA-N 452.433 2.646 30 10 JFEE C#CCn1cc(CNC(=O)Cc2ccc(I)c(Br)c2)cn1 1467725939 XKNWKOPEURMYOD-UHFFFAOYSA-N 458.097 2.742 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COC)CC1 1496305974 DWGPJZCSVPXVCB-LJQANCHMSA-N 467.618 2.526 30 10 JFEE CCCOc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)cn1 1501268038 HKKWOPHDNCACHG-UHFFFAOYSA-N 466.567 2.530 30 10 JFEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1502294928 IAZPCRFHTFKCDU-OAQYLSRUSA-N 456.616 2.705 30 10 JFEE CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H](C)CC#N 1503253633 BGJGFRNOXAROCH-ZDUSSCGKSA-N 470.393 2.889 30 10 JFEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C#N)c1 1503358040 CWWJQKMEVXVTKJ-QFIPXVFZSA-N 460.586 2.724 30 10 JFEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1505158850 BXCZPGGOQPVZNV-HXUWFJFHSA-N 484.626 2.698 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1507539162 RUBBZHRCXZMMHT-AEFFLSMTSA-N 467.551 2.532 30 10 JFEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1507583998 ZPJUGQUGNDNFQO-HXUWFJFHSA-N 477.613 2.635 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507591226 KEWKFPPNEIHVAP-RTBURBONSA-N 479.647 2.819 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1507632623 OKTNVTXIZANIAV-WOJBJXKFSA-N 487.626 2.767 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507755034 JWGKWOGJIUGREQ-UHFFFAOYSA-N 460.607 2.787 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cccc(O)c2)CC1 1507778271 CTJVZGYNVGFRQE-INIZCTEOSA-N 466.380 2.943 30 10 JFEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCS(=O)(=O)CC)c1ccccc1 1507853081 ACPWROWPOQLDGA-UHFFFAOYSA-N 454.556 2.510 30 10 JFEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1507928491 HFOPEKLJCGRBFC-RUZDIDTESA-N 463.586 2.853 30 10 JFEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507958257 SBDJUZOKALJQOF-INIZCTEOSA-N 493.381 2.995 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(Cc1ccnn1C)C1CC1 1508075883 XZTGFQHDGFKYSV-UHFFFAOYSA-N 455.950 2.812 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508076903 ISUOCXIRVFFICD-UHFFFAOYSA-N 490.656 2.991 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508133029 BPKGHJQHJHELAL-YOEHRIQHSA-N 469.489 2.574 30 10 JFEE CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1508838501 FLFWPIHCMCVMPQ-XMMPIXPASA-N 486.020 2.773 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1515392181 BFVLEGIIOUBUQQ-DENIHFKCSA-N 470.643 2.951 30 10 JFEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1518354497 BNVMHIDSUAPPTC-YJBOKZPZSA-N 452.481 2.955 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1518638710 GDMYTMRICOLJKM-NJDAHSKKSA-N 482.585 2.972 30 10 JFEE COCC[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1518971012 COUALNNOKOHROC-RDPSFJRHSA-N 457.575 2.671 30 10 JFEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1532325285 SMPANWHPWHBYCH-LPHOPBHVSA-N 452.573 2.589 30 10 JFEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(C)CCc3cccc(C#N)c3)CC2)c1 1536018875 PHIHSINNCXMVIL-UHFFFAOYSA-N 453.564 2.863 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1539089669 OWAPZVBESGESRM-GOSISDBHSA-N 469.933 2.544 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCS1 1539237972 OQCYQLJUGVKYEM-GOSISDBHSA-N 456.641 2.905 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1Cc1cccnc1N1CCOCC1 1539311378 KNEPCRCDAQMQSH-UHFFFAOYSA-N 456.550 2.697 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCN(CC)CC1 1539346840 LPWCNSHQYZYKNZ-QGZVFWFLSA-N 462.440 2.769 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCc3cc(OC)ccc32)CC1 1539430721 MLZXPNLKJRMBPT-IRLDBZIGSA-N 467.614 2.886 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCn2cc(Br)cn2)CC1 1539467341 RRDUYRANTLPPLS-UHFFFAOYSA-N 476.423 2.591 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCC[C@@H]2CC)CC1 1539481309 KVHRWFGCVOOSGT-VXKWHMMOSA-N 456.635 2.750 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539580337 XHMXPHRRUNQZME-GOSISDBHSA-N 496.454 2.583 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COC(C)C)C1 1539641031 CRLXNYRSHBSZEG-XPNTWCBSSA-N 458.607 2.751 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539643470 WIGFOJAXZTXUCG-XQPJFTJZSA-N 488.633 2.697 30 10 JFEE C=C(Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1539771226 WULLKRKWTXPQJC-DQEYMECFSA-N 453.587 2.995 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1540135920 CQSGGCNRBDYELR-HXUWFJFHSA-N 489.617 2.915 30 10 JFEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1540859485 ILDRCXPTLROJIM-UHFFFAOYSA-N 453.572 2.965 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(=O)OC)C1 1540864806 LMXBLTUTPWQLFN-ZDUSSCGKSA-N 480.338 2.538 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1540901295 ZCQOIGRFRQPHCI-OAQYLSRUSA-N 453.568 2.827 30 10 JFEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1543310609 CNHHHNHPPNVVKJ-QFIPXVFZSA-N 458.010 2.795 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@](C)(O)[C@@H](C)CC 1545917956 AGPDIYHXSTZHHS-BVZFJXPGSA-N 482.633 2.587 30 10 JFEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1547483206 HCCXVYSJUGKNMU-OAQYLSRUSA-N 470.643 2.810 30 10 JFEE CNC(=O)[C@@H]1CN(Cc2cnn(C)c2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375610 QEEVRPLSWDRHKD-FQEVSTJZSA-N 460.504 2.775 30 10 JFEE CSCC(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397043 GPZAGKPHOWHKDX-DLBZAZTESA-N 454.518 2.716 30 10 JFEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 1554636125 BYBCAYWYGLUSGW-RTWAWAEBSA-N 482.585 2.972 30 10 JFEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(OCC(F)(F)F)nc2)CCO1 1555992861 CWXBHWWPUQBYSN-IAGOWNOFSA-N 466.464 2.827 30 10 JFEE Cc1c(NC(=O)[C@H](C)SCC(=O)N2CCC[C@@H](CC#N)C2)c(=O)n(-c2ccccc2)n1C 1557461823 HOJCNXLFOOIBCJ-ROUUACIJSA-N 455.584 2.697 30 10 JFEE C#C[C@@H]1COCCN1C(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1583612522 VYDLPSTZRGPRSD-WOJBJXKFSA-N 456.564 2.756 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1 1585394983 CSPZSUZRLGHUEP-UHFFFAOYSA-N 459.999 2.894 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1587808579 UEQYVANIFUFYEE-QAPCUYQASA-N 451.980 2.533 30 10 JFEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1587842974 YABMVEALHYDEQY-NRFANRHFSA-N 452.584 2.948 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588039726 CSGUYVVLOBEGJM-ROUUACIJSA-N 479.400 2.513 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1cscc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588064415 HVMQRUPSHQPWRX-HNNXBMFYSA-N 458.531 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1588170387 FNFCHFHXAOMIPI-OAQYLSRUSA-N 460.582 2.512 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(F)c1)N(C)C 1588174188 SAAABBZRPPEHHL-NRFANRHFSA-N 459.529 2.830 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CC(C)C)N(C)C 1588214233 NBSNTUOILIABKO-FQEVSTJZSA-N 469.659 2.677 30 10 JFEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1588245603 KUOHASITSMYUKH-HHHXNRCGSA-N 493.677 2.743 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1588780390 OGMYLACTLPOECY-NHCUHLMSSA-N 466.630 2.597 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1589096661 GRCKLCLCJBJKIZ-UHFFFAOYSA-N 467.620 2.965 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(=O)(=O)CC 1589513746 BQBLCLCBDMAXQN-WIYYLYMNSA-N 476.599 2.568 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCNS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 1589580723 OWRKEQVQUOENJV-TZIWHRDSSA-N 473.643 2.715 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSc2ccccc2)CC1 1594097387 SJNYSOLUPNSJTR-LJQANCHMSA-N 463.629 2.560 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1595115117 DQHUZJXRGJYLQF-VXKWHMMOSA-N 489.642 2.763 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595367051 XWFUCFJUUZEWDY-GHTZIAJQSA-N 468.602 2.527 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](CC(N)=O)C1 1595506591 GAFAFRDROHFXKM-CYBMUJFWSA-N 451.358 2.646 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1595551945 YNWHEYZKCNSNCA-ZCNNSNEGSA-N 488.633 2.905 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1595569588 JSYPAJRZACMFKJ-UHFFFAOYSA-N 478.622 2.780 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1595824043 VSUJJFWFHQUZTN-SFTDATJTSA-N 475.659 2.994 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595854887 QGHRUUQDVBBIOY-NRFANRHFSA-N 476.006 2.727 30 10 JFEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1607172678 DVLZPZPGPKMQQP-REWPJTCUSA-N 468.602 2.819 30 10 JFEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(C)C 1615635151 AAVNEDBCDJVPFR-JOCHJYFZSA-N 451.619 2.706 30 10 JFEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1619921290 FIYGIFUFXMFFCG-UHFFFAOYSA-N 466.586 2.994 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1619951683 IBFDTYPEZFDTOB-XUZZJYLKSA-N 468.602 2.558 30 10 JFEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1 1632249142 DBARRXPUGKOHCA-HXUWFJFHSA-N 451.552 2.554 30 10 JFEE C=CCn1cc2ccc(NC(=O)CCCNS(=O)(=O)c3ccc4c(c3)OCCO4)cc2n1 1639182888 GWUNYSBBRUZAPN-UHFFFAOYSA-N 456.524 2.691 30 10 JFEE C=CCn1c(SCC(=O)Nn2ccc(O)nc2=O)nnc1-c1ccc(Cl)cc1Cl 1642616760 NKLZHQVSCIXOLD-UHFFFAOYSA-N 453.311 2.563 30 10 JFEE N#Cc1cc(S(=O)(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)ccc1Br 1668056985 HNYNTXHSXWAITD-INIZCTEOSA-N 452.305 2.934 30 10 JFEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(C(=O)CCc4ccccc4)C3)C2=O)cc1 1680308574 IFRIGLMGANGGIG-GMAHTHKFSA-N 459.550 2.587 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccsc2)c1 1689870761 ZJVVDGJZOIRLJU-DEOSSOPVSA-N 473.562 2.761 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCN2CCCCC2=O)c1 1689872125 PAEZELRPODFSEW-UHFFFAOYSA-N 485.592 2.723 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)N1CCOCC1 1690017757 LGKVSKMMUAVYGY-UHFFFAOYSA-N 484.645 2.576 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1690034816 SIXPSEMLVWJOOU-MUUNZHRXSA-N 475.637 2.881 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C)n1 1690077719 VMSBSWMCTWBYHC-FQEVSTJZSA-N 454.575 2.992 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[C@H](OC)C(F)(F)F)CC1 1690133403 FPOWTXDNKSIACE-SFHVURJKSA-N 455.456 2.719 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nc(C)cs2)CC1 1690134952 MKLXOGCZPHXSEU-SFHVURJKSA-N 471.631 2.919 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)CCC)CC1 1690137510 BLEYMPLUEIKKHH-OAQYLSRUSA-N 477.407 2.553 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCN(CC)C2)CC1 1690138052 QUBNWNISZDQQIT-WOJBJXKFSA-N 482.604 2.865 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690163770 QFHGAWAGPUFECB-UHFFFAOYSA-N 482.017 2.600 30 10 JFEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)F)CC1 1690175012 NZLISNUJWNZJFN-GOSISDBHSA-N 467.517 2.841 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690309695 HSTYDTSOQRLJNK-JKSUJKDBSA-N 467.496 2.879 30 10 JFEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1690472876 YDONPZBKHWZSRJ-UHFFFAOYSA-N 454.394 2.755 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1690563386 PRGPFHSKRVJTRL-MRXNPFEDSA-N 471.612 2.838 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2ncccc2F)CC1 1690665877 SFRUISLTEPZCDD-UHFFFAOYSA-N 485.951 2.770 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1690697306 SNFGACZFVIQSRR-HXUWFJFHSA-N 482.610 2.728 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnn(C)c2)C1 1690714050 CTNAFWHOTLQIMB-OTWHNJEPSA-N 457.579 2.612 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCC[C@H]1CC 1696331356 FODGURQULRIHTA-OAQYLSRUSA-N 452.607 2.672 30 10 JFEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(F)(F)F)CC1 1696880769 DDUABCCWNGDEBO-IBGZPJMESA-N 475.519 2.902 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)(C)C)CC1 1705536999 PZOKETZYOQPTRU-UHFFFAOYSA-N 463.674 2.977 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705561654 SBORZCUKBIFCMH-MSOLQXFVSA-N 479.400 2.513 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1705651436 WTMKKPRZZHLUOX-IDISGSTGSA-N 479.625 2.991 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705730312 HFKAUSRYKOHXFO-AWEZNQCLSA-N 451.369 2.685 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705737402 QGGAODDTPOLKTG-JXFKEZNVSA-N 482.553 2.629 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@@H]1C 1705884395 NMMAWDBUFNKUSJ-PZJWPPBQSA-N 455.607 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705937603 YSVBINZCVVRCMU-NRFANRHFSA-N 480.638 2.575 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCCC2)n1CCNC(=O)OC(C)(C)C 1708152660 GTTPJKKDJMBLOV-KRWDZBQOSA-N 481.605 2.837 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccccc1F 1708751999 CIFVKXIRMDXEGP-KRWDZBQOSA-N 491.575 2.761 30 10 JFEE CCOc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1OC 1710506150 DKPNBKMJBAQVHB-MBSDFSHPSA-N 473.599 2.766 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(N2CCOCC2)CCSC1 1722278344 LNUQXMJVFOBQSK-HRAATJIYSA-N 493.475 2.712 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1722279513 HJKZGTGZNOWZIV-LSDHHAIUSA-N 451.390 2.990 30 10 JFEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)NC(C)C 1722343739 JCGOMBTZVORQOT-UHFFFAOYSA-N 458.613 2.774 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722366074 ORCMQOPCHLLTJY-HSZRJFAPSA-N 499.681 2.626 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1722431548 MOOOJRHHEMNJSX-UHFFFAOYSA-N 487.461 2.887 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2c(C)nn(C)c2C)CC1 1722441118 HDZYLFFVEOAFGK-UHFFFAOYSA-N 453.978 2.664 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1722447652 LCGFLWFHUSHJJN-QHCPKHFHSA-N 492.624 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C/C=C\CC)CC1 1722447824 QSFXHQNYZQQAPP-ZTBDEIDFSA-N 486.617 2.519 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCc2nnc(C)s2)CC1 1722449551 ULYRCLLAULDYCE-UHFFFAOYSA-N 463.611 2.546 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722545358 BUPMGGKZTORXDN-UHFFFAOYSA-N 483.960 2.535 30 10 JFEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722612789 WPPIHCYJEMXSCG-QGZVFWFLSA-N 464.364 2.634 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722628188 YQDYXOITKHFCAY-OAQYLSRUSA-N 453.595 2.782 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1 1722629148 GHCIDXLSSXFOBZ-NRFANRHFSA-N 492.665 2.957 30 10 JFEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1729300451 DHGQISVFMGRPDI-UHFFFAOYSA-N 480.642 2.689 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccs2)CC1 1730629408 FQPCIBHSEXEQTR-QHCPKHFHSA-N 467.599 2.777 30 10 JFEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2CCC(O)CC2)CCO1 1731188215 CKMFARWESRUTOK-QGZVFWFLSA-N 465.385 2.827 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 1740562951 ONWIATJLIITDJB-MQSCRBSSSA-N 494.640 2.728 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1740625456 NVEUHENXCWLBIJ-SFHVURJKSA-N 489.523 2.551 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740625953 JGRADHPWRVKPKC-ZRNYENFQSA-N 491.658 2.675 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CCCCC1 1740638629 MWVRKGGRPSHRIA-SANMLTNESA-N 458.566 2.596 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cn2ccsc2n1 1740680744 MWCGLNWCNCJPGS-UHFFFAOYSA-N 452.540 2.806 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(Oc2ccccc2F)c1 1740683956 HJBWCMPZXIVUPD-LJQANCHMSA-N 464.501 2.690 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)CC1 1740694782 UEJJJOPQRKYJDP-OAQYLSRUSA-N 474.650 2.965 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740712090 WPXBEQREXBDBDO-HDICACEKSA-N 458.588 2.765 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740750737 FMQXRIQFZBRRCZ-OIISXLGYSA-N 459.513 2.945 30 10 JFEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740782250 IUZGOWJPRQFKEA-UHFFFAOYSA-N 489.665 2.615 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1740795609 ZCQAHYJHRWFDTC-JOCHJYFZSA-N 482.629 2.752 30 10 JFEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1740876230 PHZVLGZLASTWGP-UYAOXDASSA-N 451.637 2.969 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1740887928 MXHNBPPMTRCFQU-IFMALSPDSA-N 492.617 2.862 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)c1ccccc1 1740893856 ZVARXOOOGJXIRT-UHFFFAOYSA-N 465.377 2.636 30 10 JFEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1740907851 ARSCTNANUIROTG-OAHLLOKOSA-N 462.572 2.560 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1(C(N)=O)CCOCC1 1740915145 WABJAQLCGPFZST-UHFFFAOYSA-N 459.554 2.630 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740949003 YRFIWBHSOXSHDZ-UHFFFAOYSA-N 468.602 2.576 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(F)(F)F)CC1 1740952985 SFZQJBHQWHJQMZ-UHFFFAOYSA-N 499.563 2.628 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc21 1740959942 HRBOVOZVIAGVGA-IBGZPJMESA-N 468.558 2.583 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H]2Cc2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 1740965366 OIRJAXJGWDRZFU-SQJMNOBHSA-N 453.587 2.832 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccccc2C)CC1 1740989550 QMADFAQTIXZBBI-UHFFFAOYSA-N 466.611 2.572 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740994938 YQTVXCBFERLOCD-XUZZJYLKSA-N 474.627 2.913 30 10 JFEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1741209723 FFZCKDYSUPMQJK-UHFFFAOYSA-N 465.602 2.708 30 10 JFEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1741495557 BPYXJBKFDLKCQY-HHHXNRCGSA-N 493.656 2.748 30 10 JFEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)o1 1745319880 HEPBWRZWEJINFS-SFHVURJKSA-N 454.556 2.737 30 10 JFEE CN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1747765735 FTLCGFVBHGADLG-UHFFFAOYSA-N 459.535 2.969 30 10 JFEE 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30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1508079120 OOIVBQQSWBACBS-UHFFFAOYSA-N 452.584 2.640 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1508080730 DRYJXBRPSDADFJ-INIZCTEOSA-N 455.563 2.726 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1508088560 ZDSIYPKVWZHZBB-SFHVURJKSA-N 487.511 2.534 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(S(C)(=O)=O)CC2)C1 1508127754 MVKXDEXYRHPXFC-KZNAEPCWSA-N 452.621 2.555 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCOC1 1508133171 CZPLGRXWIRMFSH-CYBMUJFWSA-N 475.434 2.843 30 10 JFEE Cc1ccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(C)(C)O)cc1C 1511004642 BDZDHFHFKNASDV-UHFFFAOYSA-N 461.570 2.838 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1516774542 AVRJNQLFCMCESO-UHFFFAOYSA-N 473.990 2.770 30 10 JFEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ncc(Cl)n2C)CCOC1 1517947465 GLRMLJKCOPRGDP-JOCHJYFZSA-N 471.949 2.558 30 10 JFEE 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490.626 2.555 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@@](=O)C(C)(C)C)C1 1705922470 NHWJKSCLBAMSFO-UGAOPGRHSA-N 494.687 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705931629 WELICLIOLOOARD-KDOFPFPSSA-N 499.431 2.524 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCC2)C1 1706157903 GOIHRDSTIRHELL-RBUKOAKNSA-N 474.606 2.817 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(C)(C)C)nc1 1708756588 FEBAAGBACQXRAV-GOSISDBHSA-N 455.563 2.546 30 10 JFEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C[C@H]1C 1710273238 FNDDFZKPXVEABX-XLIONFOSSA-N 477.535 2.610 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1722281112 MCBKTMNQYGYYPK-INIZCTEOSA-N 473.599 2.673 30 10 JFEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722318750 GSLSNYPLSVXJBD-OAQYLSRUSA-N 475.590 2.973 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722360668 BSULICUMFCVEAJ-PKOBYXMFSA-N 490.651 2.732 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722368003 ODSJFJPEGLQPMZ-MRXNPFEDSA-N 450.511 2.530 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722370032 KKADVRACPGTMET-RTBURBONSA-N 462.641 2.931 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCCOC(C)C)CC1 1722445048 JXXUEHFBBGYQLE-UHFFFAOYSA-N 467.570 2.845 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCC[C@@H]2C)CC1 1722446841 AEQOUYZBVNQIOO-RBBKRZOGSA-N 456.635 2.750 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCCN(S(C)(=O)=O)CC1 1722456835 HBKYKXINGZTWMU-UHFFFAOYSA-N 498.472 2.546 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1722469085 TWTGQQGVDFDFCC-DNRSQYFGSA-N 472.678 2.584 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722588309 POUXZDYEPUQVHC-OAHLLOKOSA-N 481.560 2.805 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722695766 PFVGXBCLQIRIAT-UHFFFAOYSA-N 460.586 2.543 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 1722705590 FWXWIMRBTNXIQT-FQEVSTJZSA-N 468.583 2.752 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1C 1722724511 YLJDSVQLJMGYTO-HNNXBMFYSA-N 450.561 2.560 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1722728425 VZFVJDIXPINJMC-KURKYZTESA-N 485.626 2.788 30 10 JFEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722737019 QCXSZGQPRIJQIZ-KRWDZBQOSA-N 451.637 2.890 30 10 JFEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1723237268 CZYHPTMPONUUOM-HKBOAZHASA-N 457.600 2.749 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H]3CCN(CC(F)(F)F)C3)CC2)c1C#N 1725861335 HGUPZOATFIFHLG-KRWDZBQOSA-N 479.555 2.526 30 10 JFEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1 1729541410 BDOMSLSUZBKEDG-UHFFFAOYSA-N 451.619 2.848 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740623680 ZGRJVAPJHYGKEW-PMVMPFDFSA-N 485.654 2.667 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCCCCC1 1740629102 AKLAFFZJMKXUGX-UHFFFAOYSA-N 481.000 2.727 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2=CCCCC2)CC1 1740698207 USXMKPIBYHWWSW-UHFFFAOYSA-N 482.654 2.841 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCCN2CCC[C@H](C)C2)CC1 1740703810 AXDCYEFINHGBFN-NRFANRHFSA-N 465.646 2.762 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2csc(C)n2)CC1 1740706955 JPWMLHGSZCVIIO-UHFFFAOYSA-N 466.586 2.981 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1740715037 BMODBHJIRCSSLL-IBGZPJMESA-N 471.656 2.616 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740754617 GNFQMICJFLZBKN-ZVDOUQERSA-N 460.600 2.948 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1740766994 LYIWAPDATPMOIN-RBBKRZOGSA-N 458.651 2.691 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1740825340 MTBMNLLIROTNSN-SIKLNZKXSA-N 489.642 2.655 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCN(CC)CC1 1740892227 CHEVMROZVFNDMQ-KRWDZBQOSA-N 464.456 2.942 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)C(C)C 1740925302 BGYZZWKYYVLUDN-IYXIZZNPSA-N 459.635 2.865 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCc2c(ccnc2N(C)C)C1 1740955681 CJUAFDQDONPLJO-UHFFFAOYSA-N 451.962 2.924 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740955750 FHRUBIPCAMRQCS-KDURUIRLSA-N 470.593 2.712 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C3CCOCC3)C2)cc1 1740965140 DSFUENFJCNLGMO-NQIIRXRSSA-N 489.642 2.754 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1748648067 XNLGAGFGKMYUID-FQRUVTKNSA-N 467.614 2.645 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1748808181 ARMGWTKKAXPSHS-AEFFLSMTSA-N 471.608 2.841 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1748814874 KIVGRILIHDMAFB-PKOBYXMFSA-N 458.584 2.648 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748835442 CGMDSRNCBYVJFI-HXUWFJFHSA-N 461.488 2.680 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1748994962 UTMOJGLUYVNGSL-DNQXCXABSA-N 480.657 2.728 30 10 JFEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749023371 SPHYNDFWEMAMFY-GOSISDBHSA-N 470.624 2.715 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749026181 HGWROAOEYVZXJK-UHFFFAOYSA-N 483.063 2.610 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749040014 IZCGQYIHHJZHJG-LJQANCHMSA-N 457.600 2.959 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749118385 GAPINYVIRHUOKH-URVUXULASA-N 495.628 2.895 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1749120958 JJSKBPMHESFEST-GCJKJVERSA-N 484.601 2.795 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1749223149 QFTMFWKHEPLYIG-GOSISDBHSA-N 480.569 2.828 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749351919 DQQHSKVLSZEJSY-UHFFFAOYSA-N 452.607 2.850 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749366386 DKSSEMMNKAIBLS-VDVULAQNSA-N 452.621 2.555 30 10 JFEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1749384787 HPMCGHZPUKLKNL-UPVQGACJSA-N 460.582 2.965 30 10 JFEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749393507 YEYWSTARWGGNFJ-IBGZPJMESA-N 463.604 2.834 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749622717 MYYOMHOJEWQGEV-INIZCTEOSA-N 461.408 2.930 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC)(CC)C1 1749666163 IHEWXSLMMSRQLV-UHFFFAOYSA-N 459.620 2.557 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1749676675 YWUZZGBYKSOQSR-UHFFFAOYSA-N 477.613 2.910 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)OC(C)(C)C)C1 1749695587 FMNIZHLDFUDLMH-GOSISDBHSA-N 491.614 2.655 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749741317 XJWJMFQVHQWACL-IBGZPJMESA-N 458.636 2.558 30 10 JFEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CC[C@H](C)C1 1749787578 ACOFXRAHXQIKEQ-FXAWDEMLSA-N 462.558 2.611 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750520014 DNOUPQBWBVXABI-VAMGGRTRSA-N 478.663 2.608 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC(C)(C)C2)cc1C 1751538059 HNOBPCZPERGPBW-KRWDZBQOSA-N 453.591 2.854 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCN(C(C)=O)CC1 1760103548 HSOJCOFGTQNRJL-SFHVURJKSA-N 454.644 2.898 30 10 JFEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760139169 TYWMETQCDIHJJY-WIYYLYMNSA-N 458.584 2.998 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760181012 OHHMJOYEOTWWQO-HKUYNNGSSA-N 494.564 2.988 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1760219110 VGHBACNLMWTKAV-NQIIRXRSSA-N 474.030 2.599 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1760219906 RULJWZYSQSAHJF-LEWJYISDSA-N 493.612 2.509 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1760260893 GRIFXUIFCPQRIT-HSZRJFAPSA-N 450.631 2.775 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1760490977 OXYARHICVYPJAF-KSFYIVLOSA-N 462.641 2.859 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760503958 IDSIZBHPGVWBPR-UHFFFAOYSA-N 468.558 2.749 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1760507526 LXDWXQLROKVNMO-QFBILLFUSA-N 490.630 2.731 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1760517436 MHDDFFBNSNICQL-QGZVFWFLSA-N 499.572 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760556134 VPZSNIJIZNPSIU-NHCUHLMSSA-N 478.707 2.531 30 10 JFEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1764949419 FGMPJCWJOIFGRY-MOPGFXCFSA-N 464.492 2.553 30 10 JFEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1765115832 DENXQTDBDNQGJQ-UHFFFAOYSA-N 478.601 2.600 30 10 JFEE CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1768249602 IAEWMIMWVOKRHK-NRFANRHFSA-N 473.599 2.874 30 10 JFEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)c1cccs1 1768484196 FJWFVBKYVHZNQN-IBGZPJMESA-N 470.624 2.662 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862401550 DHPKIMPHRGKCHA-HSZRJFAPSA-N 466.534 2.923 30 10 JFEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)c1 1862563656 IDZUDLHGQFEECP-HSZRJFAPSA-N 465.550 2.968 30 10 JFEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCCO2 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Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)c1 2284057610 BIUJUPSMYSSQEY-LPHOPBHVSA-N 460.380 2.993 30 10 JFEE COc1ccccc1[C@@H]1C(=C(O)c2c(C)nc3ccccn23)C(=O)C(=O)N1CCCN1CCOCC1 2296125438 DZAJVTZIOGQTPO-XMMPIXPASA-N 490.560 2.795 30 10 JFEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C 2296133075 XWPITKAJEKJQOI-NRFANRHFSA-N 497.548 2.578 30 10 JFEE CCc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2326314438 AYPSXLNICGNRAE-UHFFFAOYSA-N 484.538 2.926 30 10 JFEE CCOc1ccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1 2326737781 ZZMYMPYLGSMAPW-UHFFFAOYSA-N 455.540 2.744 30 10 JFEE COc1cccc(C=Nn2c(COc3ccc(C)cc3C)nnc2SCC(N)=O)c1OC 2328890006 QIBWCLPIJDLMMY-UHFFFAOYSA-N 455.540 2.951 30 10 JFEE CCOc1cc(C=Nn2c(CCOC)nnc2SCC(=O)NC2CCCCC2)ccc1O 2331293190 FAIXLGOSTNBADS-UHFFFAOYSA-N 461.588 2.995 30 10 JFEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351778297 HDGCINATVDVPJA-MRXNPFEDSA-N 456.295 2.742 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]1C2 2359277539 AKBDNQYJINWJRE-XOKHGSTOSA-N 461.343 2.648 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)CC1(C)C 2362354646 VEQWGXHJVRZZAA-OAHLLOKOSA-N 462.400 2.627 30 10 JFEE COc1[nH]c(=NC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365345530 FBNJNUZVISBIGU-OAHLLOKOSA-N 463.384 2.595 30 10 JFEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CCN(CCO)C(=O)OC(C)(C)C 2368521359 QIHZPIUKUQDPGA-OAHLLOKOSA-N 483.440 2.581 30 10 JFEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)n2N)cc1 20914302 YOWOEFHSBYOZOK-HUHXJTTESA-N 479.566 2.510 30 10 JFEE CC(=O)c1ccc(NC(=O)CCSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1 20921457 HDSMFULFNABSDD-LSHDLFTRSA-N 455.548 2.539 30 10 JFEE CC[C@H](C)Sc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)s1 59887121 YWPQYIGUGNTZFD-TUVHXFJTSA-N 496.648 2.567 30 10 JFEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2CCN(C)C)c1 170120156 DKPFINNFAOBOET-JOCHJYFZSA-N 451.523 2.664 30 10 JFEE C=CCn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nnc1[C@H]1COc2ccccc2O1 503694540 CTKZQPDXJFMRDB-WIYYLYMNSA-N 487.626 2.542 30 10 JFEE C=C(C)c1cccc(C(C)(C)NC(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 585824075 GZACGMYDUBKTMB-REWPJTCUSA-N 488.588 2.604 30 10 JFEE N#Cc1cccc(NC(=O)Nc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)c1 586687773 ASEQNDFQJUDNJS-UHFFFAOYSA-N 463.519 2.822 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccccc1 619539274 VUMVWQDFWLIBDR-UHFFFAOYSA-N 485.487 2.662 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2sccc2S(=O)(=O)NCc2ccco2)c1 751346468 MUNDEPYMELMZSE-UHFFFAOYSA-N 457.533 2.512 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCOC)C(=O)O 757267418 FJCAPRHHGSDBEB-FCHUYYIVSA-N 450.491 2.523 30 10 JFEE CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470380 HMHJPGRSHVLXOO-OAQYLSRUSA-N 452.532 2.851 30 10 JFEE CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)s1 1128734755 HIRNCDIFIHYTKD-CYBMUJFWSA-N 451.957 2.736 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 1165507269 CUHWGSYQMWQBRO-GUDVDZBRSA-N 450.576 2.985 30 10 JFEE N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)c2)s1 1215363698 AQOPJRZTRCYXCL-UHFFFAOYSA-N 450.524 2.664 30 10 JFEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCNC(=O)OC(C)(C)C 1286369321 LLJPAPIUENIVNB-UHFFFAOYSA-N 451.531 2.968 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCCOC 1286382209 WIOSDQCNCCORMA-IBGZPJMESA-N 470.574 2.888 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286394001 SSAJBFRKECSUJE-FQEVSTJZSA-N 467.620 2.683 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(c2ccncc2)CC1 1286402454 XKJMOIUULFBUHS-UHFFFAOYSA-N 488.617 2.733 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccncc2Cl)CC1 1286484130 IQSKFTBXNNIBFI-UHFFFAOYSA-N 452.946 2.718 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@](C)(O)CC)CC1 1286486845 BVPDYJPEYQJFEI-XDHUDOTRSA-N 457.550 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)Cc2ccccc2)CC1 1286493711 PGASRDOGQKSIOH-QHCPKHFHSA-N 464.614 2.618 30 10 JFEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286607611 SPZDUSHIRYQOCW-UHFFFAOYSA-N 469.634 2.637 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1286701057 UVEHBNSTDLBBRB-OAQYLSRUSA-N 471.627 2.807 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1N1CCOCC1 1286767093 FTGAUNVQUZYSOF-UHFFFAOYSA-N 454.550 2.946 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286771494 VFXWTHDPAZCEEJ-UHFFFAOYSA-N 455.544 2.855 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCS(=O)CC1 1286780578 OQNSYHLBEURFBD-INIZCTEOSA-N 466.007 2.559 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)c1cccs1 1286782235 OVMOAODBNFNBBO-MRXNPFEDSA-N 488.639 2.757 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286787098 ODSNXTVJOHLTSI-KRWDZBQOSA-N 488.518 2.506 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1286790166 OHBWWOKKENRBSD-BGYRXZFFSA-N 458.651 2.639 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2csc([C@@H](C)OC)n2)C1 1286798510 LDMYHCXCDANHMF-NVXWUHKLSA-N 469.571 2.919 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300499994 ZZSOIMCYKMQWIO-GOSISDBHSA-N 462.616 2.920 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300501721 NDLKGAUUWQXHHI-NRFANRHFSA-N 484.651 2.597 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1300512688 LLNDTIDSHUXYOH-VWLOTQADSA-N 469.586 2.570 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300531629 DPBZXPUMXQJCMR-MRXNPFEDSA-N 461.526 2.580 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc([C@H](C)OC)n1 1300578685 FYSCKCRIUCOFBU-KRWDZBQOSA-N 487.589 2.867 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)OCCCO2 1300596002 JOELEKPLDLUIFP-REWPJTCUSA-N 450.539 2.675 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1300801261 LIDXFJFBCMYPBF-AREMUKBSSA-N 475.597 2.926 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1300830610 HJRSHUBMRQJKTM-KXBFYZLASA-N 484.420 2.549 30 10 JFEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301221953 QOWLZNOBGYBFHP-HXUWFJFHSA-N 489.665 2.569 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301515401 USSWGQDVTDSWIH-GOSISDBHSA-N 480.535 2.849 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301528402 AGAQQOMHVIHMHO-UHFFFAOYSA-N 495.628 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC(C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301592856 FCZTVKUNAWEOND-OBFZPWGMSA-N 454.637 2.934 30 10 JFEE CCC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1306544622 BHZQLNVCHNCLLC-KCPMXOJXSA-N 498.676 2.988 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccncc2Cl)c1 1358900239 GFWKCONGCWTIOO-UHFFFAOYSA-N 477.956 2.667 30 10 JFEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1358914408 SLGHPVAXWQCNKE-UHFFFAOYSA-N 478.622 2.719 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(-n2cncn2)nc1 1358939589 ZRCJTSMNBBPMKZ-SFHVURJKSA-N 458.526 2.910 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCS(=O)(=O)C1 1358943006 RUMZDZJOUYKHAX-OAHLLOKOSA-N 451.390 2.910 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1358960080 WOWUTKJDVZIQQH-HNNXBMFYSA-N 465.373 2.529 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358960755 KYXWEBJZLXEIJP-HXUWFJFHSA-N 465.579 2.641 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358965662 YZNMCZGNUAYRES-FZYZMVIOSA-N 497.086 2.696 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1358968205 CDEXOZJMGRKIFA-SFHVURJKSA-N 492.933 2.819 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1cc(C)oc1C 1358985978 LCPHDZQWMKXQKM-LOSJGSFVSA-N 454.571 2.899 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1359008847 BXIQLGBTIYUCAX-IBGZPJMESA-N 461.607 2.784 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCS(=O)(=O)C1 1359019357 SHCKBZQPCDVMEA-NHCUHLMSSA-N 474.627 2.946 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccccc1)N1CCOCC1 1359024701 SYDYYOUKRDZCLO-DHIUTWEWSA-N 453.587 2.679 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2C[C@H](C)O[C@@H](C)C2)n1 1359027538 MZZPTJQJPVBATC-PMACEKPBSA-N 465.602 2.970 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nccn2C(F)F)CC1 1359042939 ZXLOURSAWYYBKO-UHFFFAOYSA-N 499.522 2.568 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cnn(C)c2)CC1 1359047565 LOALYZRVAJGHLB-UHFFFAOYSA-N 489.624 2.902 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359050236 KLIDHFNXXZUKPC-QGZVFWFLSA-N 493.475 2.571 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1359132762 FAJONWVRHWBBGB-HXUWFJFHSA-N 455.607 2.923 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359244721 OEZMTNGNAJNNTE-WIYYLYMNSA-N 475.615 2.692 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCC(=O)N1CCOCC1 1359257064 YEOJYFAIMFXUGW-UHFFFAOYSA-N 471.565 2.577 30 10 JFEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(OCCCOC)CC1 1359286478 TUYUDCLLPQHVOD-UHFFFAOYSA-N 452.559 2.883 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359304436 YATIBWBIJPSGOO-IRXDYDNUSA-N 491.434 2.841 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359309413 QUYFXGOPXBUXQZ-IBGZPJMESA-N 496.593 2.552 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1359438509 BYDBNILMPVCWHR-QFIPXVFZSA-N 465.602 2.567 30 10 JFEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)C2)nc1 1460530282 DDGLCUJUGZDEBU-CVEARBPZSA-N 455.312 2.749 30 10 JFEE C#Cc1ccc(NC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c(Cl)c1 1467402547 AJOOZOJLZWSXNF-FQEVSTJZSA-N 454.962 2.708 30 10 JFEE N#Cc1nc(NC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)[nH]c1C#N 1469560327 HVQOCNVYPZHHLB-UHFFFAOYSA-N 451.166 2.767 30 10 JFEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)on1 1493153037 IFWIYHNNNFTQER-SFHVURJKSA-N 463.542 2.767 30 10 JFEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1503562304 ICKSXVRCCWGDJD-OAQYLSRUSA-N 473.599 2.559 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507610792 GMZZVXTZGLQCTI-ACRUOGEOSA-N 462.554 2.911 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507621810 CSPGPKURAWVQBV-GEQKSPFYSA-N 476.574 2.753 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1507629061 JJYYMLWXTSMNOD-CYBMUJFWSA-N 489.342 2.568 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1507631557 QPZWINYLGDBQNM-HXUWFJFHSA-N 480.594 2.507 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1507633673 GAKTUKBPPZTRFU-IBGZPJMESA-N 487.532 2.540 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507713879 ZRIYCQNPSZAMGL-WOJBJXKFSA-N 455.651 2.982 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2nccs2)CC1 1507718627 RZZSKXQHJKGLHD-UHFFFAOYSA-N 460.405 2.880 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2c(C)nn(C)c2C)CC1 1507722264 SENJRHJGWDLDRY-OAQYLSRUSA-N 477.613 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCC2(C)C)CC1 1507736303 OFTKMKWHJGDQKT-CPJSRVTESA-N 457.619 2.722 30 10 JFEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(OCC(N)=O)CC1 1507789278 AGZQMPOWNHRFSG-UHFFFAOYSA-N 473.375 2.660 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C#N)C1 1507810760 LYEAWXIWGCNYFJ-MSYCTHLASA-N 453.543 2.966 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507900440 NBGXHFOHVSPCDL-ZNTNEXAZSA-N 478.553 2.891 30 10 JFEE C=CCNC(=O)Cn1c(N2CCN(c3c(C#N)cnc4ccccc34)CC2)nnc1C(C)(C)C 1508098453 PEUWAROPGSAZCC-UHFFFAOYSA-N 458.570 2.624 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC([C@@H]4NC(=O)N(C)C4=O)CC3)nnc2C(C)(C)C)cc1 1508106888 YUXIMVOLEGPRPR-FQEVSTJZSA-N 466.586 2.955 30 10 JFEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508153366 YNGUXAUSRVFMGE-QGZVFWFLSA-N 462.664 2.651 30 10 JFEE CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1512342725 CLGVTVJCLHAOEZ-JOCHJYFZSA-N 470.643 2.810 30 10 JFEE Cn1cnc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)n1 1517401131 CFYIWNGMURZWTQ-GOSISDBHSA-N 451.293 2.783 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC1(N2CCOCC2)CC(OCC)C1 1539010926 AICWJPJKQASQLT-LAJDMCDJSA-N 451.615 2.905 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)C(C)(C)C)c1 1539040504 UVSUHCBKXJTYQB-UHFFFAOYSA-N 494.621 2.918 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN(CC)C(C)C)c1 1539042941 LOJTXNROBLNHDP-OAQYLSRUSA-N 452.603 2.959 30 10 JFEE 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481.597 2.614 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1539498856 XHJUYYUZRHGKNV-CVEARBPZSA-N 484.047 2.566 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539525980 AQKJJPHAJKRUHE-QHCPKHFHSA-N 471.583 2.653 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539542451 ZXWVUXUCMXQGDH-DUXKGJEZSA-N 455.525 2.807 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1539548267 JRLXERVJBXQDKK-AREMUKBSSA-N 481.597 2.984 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539640760 BFJKNFCHXZAGSZ-LSQMVHIFSA-N 467.614 2.776 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1 1539750839 DHDBWEZKKDXSAQ-KRWDZBQOSA-N 452.552 2.557 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1539929302 RMNPAOBPZBZEQC-VWLOTQADSA-N 475.634 2.608 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1540147498 RPUPEDFJJHGQPM-BCOMRZATSA-N 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C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCS(=O)(=O)C1 1690090050 UMBJUUVKOJGEOG-IBGZPJMESA-N 453.543 2.862 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccncc1Cl 1690104380 VGGYVCFJBVNKMB-LJQANCHMSA-N 490.992 2.769 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=C)Cl)CC1 1690137930 MECWQCBCRXQKPD-UHFFFAOYSA-N 451.756 2.754 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(SC)CC2)CC1 1690150328 CYSLHAKBTBYEOR-UHFFFAOYSA-N 453.612 2.761 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690163914 VUUGKCDFJDVZAV-MJGOQNOKSA-N 461.035 2.907 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1690312771 CGPCWXFHCCIKCG-MJGOQNOKSA-N 464.588 2.854 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC)C(=O)C1 1690422752 ZCMCDXKBLXYEKR-UHFFFAOYSA-N 488.658 2.856 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690464526 DLMYVULOUSAZJT-AABGKKOBSA-N 488.633 2.905 30 10 JFEE 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Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1C 1638999044 AHYYPHKUDDDSNN-UHFFFAOYSA-N 456.568 2.745 30 10 JFEE Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 1640238668 DFQJUCZKGKDUPS-OAHLLOKOSA-N 454.298 2.825 30 10 JFEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1645390915 FRCGQDYRRIYLEJ-LJQANCHMSA-N 456.593 2.882 30 10 JFEE N#Cc1ccc(N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccn3)CC2)c(F)c1 1648753568 HAPZCKAWXBUCBQ-UHFFFAOYSA-N 457.531 2.732 30 10 JFEE C=C[C@@H](C)ONC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 1651122069 ITVYOSYBPHSWTF-MRXNPFEDSA-N 453.520 2.993 30 10 JFEE N#Cc1ccc(S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)OCc2ccccc2)cn1 1664677584 AKRPGRBMZJBYEP-JOCHJYFZSA-N 451.504 2.560 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)n1 1683523231 NZLSSUUVOKVTDV-UHFFFAOYSA-N 455.559 2.899 30 10 JFEE N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C2)nc1 1684485723 CBMQZPZPNLWPNO-ROUUACIJSA-N 459.428 2.940 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCS(=O)(=O)C1 1689863580 XAOYGGZVKDZJFD-LSDHHAIUSA-N 467.389 2.512 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1689988498 QASDBLJFJCHMBY-CQSZACIVSA-N 454.474 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC=C)c2ccccc2)CC1 1690134888 JIEYUBVTPFWWRI-QHCPKHFHSA-N 474.609 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](CC(C)C)N(C)C)CC1 1690140064 KOTYFUHYDCLUQC-NRFANRHFSA-N 480.613 2.616 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccc(Cl)cc2)CC1 1690148901 ZIGZUFKJOSNCFZ-UHFFFAOYSA-N 478.984 2.962 30 10 JFEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690482932 DMDIKVOZBKZRGC-SFHVURJKSA-N 467.636 2.982 30 10 JFEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690510169 VJIGRZZACJKDDR-UHFFFAOYSA-N 462.554 2.525 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690518302 DJTKLEARQKUEHL-UHFFFAOYSA-N 489.399 2.655 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1690661002 SKBALYHURHWRGV-PMACEKPBSA-N 468.602 2.832 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)[C@@H](C)C1=O 1692430699 HVPZNVDXHQLLHU-UQBPGWFLSA-N 466.586 2.991 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(C)(C)O)c1 1692976135 FMODFLVALWHIEN-UHFFFAOYSA-N 461.570 2.838 30 10 JFEE CCN(CCc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1695732881 BBQHHTMNCCZJSP-XMMPIXPASA-N 466.611 2.926 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695911674 FDXWZMBKXSBPLW-UHFFFAOYSA-N 450.591 2.691 30 10 JFEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1696383695 CPQXLLUKJBQMLN-HXUWFJFHSA-N 455.559 2.523 30 10 JFEE CNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1696888577 FMCAZIUCOSFDPD-UHFFFAOYSA-N 471.993 2.764 30 10 JFEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1698334811 FVRDWNGXJNAAMS-QFBILLFUSA-N 460.629 2.573 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCCCC1=O 1705501104 WHKHTGJIAPUPCM-HSZRJFAPSA-N 477.657 2.503 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1705569542 DYRSKBFJEZKUCB-HXUWFJFHSA-N 462.591 2.840 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1705580602 MJSIULWROVDKPG-SIBVEZHUSA-N 458.566 2.689 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)(C)C 1705581455 BWPGADXOMXOISE-IBGZPJMESA-N 470.618 2.770 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705583964 RJMQCTOKWLHAAO-QFIPXVFZSA-N 454.582 2.751 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1705585045 IUTDZVZIHSGCCN-GOSISDBHSA-N 453.591 2.716 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1705595805 HIEBCPNYHUCNJR-UHFFFAOYSA-N 454.538 2.665 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1C(F)(F)F 1705599256 WVIFPKYYKDRNLS-MRXNPFEDSA-N 468.476 2.849 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)Nc1ccc(F)cc1 1705601165 ADINZMIZUJTLIK-UHFFFAOYSA-N 464.526 2.510 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705629691 RGQZONRDACYTOY-UHFFFAOYSA-N 456.554 2.596 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2coc(-c3ccc(C)cc3)n2)CC1 1705652737 LMWZGLDHCPMYIO-UHFFFAOYSA-N 476.581 2.987 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)C(=O)NC 1705694118 ODCINOVCPFLTAB-ZJOUEHCJSA-N 468.602 2.947 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705701644 HTCIIKIGUUIAPN-NFBKMPQASA-N 458.651 2.592 30 10 JFEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC(O)CC1 1705719437 ZDKYBNFROVROIQ-UHFFFAOYSA-N 466.630 2.808 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705825060 IDHYDYOIDFTGGJ-UHFFFAOYSA-N 484.576 2.775 30 10 JFEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1705830750 WVHFCYRAVUDDBZ-VXKWHMMOSA-N 489.642 2.506 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1705875647 BCUJPHKWRCJRPY-SFHVURJKSA-N 495.646 2.590 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705896937 CCFQJDKEPZWDKE-QZTJIDSGSA-N 478.519 2.627 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705898951 CWYQREKAHJWUNB-GOSISDBHSA-N 451.531 2.640 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705906747 NPUJUTJYOFOWAW-UHFFFAOYSA-N 494.640 2.952 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)CN2CCCC2)C1 1705919760 KKENMZHWLVKMPF-TZIWHRDSSA-N 473.643 2.862 30 10 JFEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCOC[C@@H]2C1 1705940786 PBHIADIVWLVSLU-KRWDZBQOSA-N 451.543 2.987 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)CC1 1705953929 BSLOFTXFIICEGU-UHFFFAOYSA-N 450.572 2.667 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1706743508 CDQXHGUDTKHQGG-MRXNPFEDSA-N 453.572 2.596 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1708621113 DUVICHNJIMZWAG-GOSISDBHSA-N 465.602 2.863 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1722301022 UNAWWRDQNGYMHJ-INIZCTEOSA-N 473.624 2.684 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2(O)CCN(C(C)C)CC2)c1 1722310328 UFPRARSLSMLSNK-HSZRJFAPSA-N 494.640 2.811 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2([S@](C)=O)CCC2)c1 1722310346 URMHEPBWVVHMRK-FPYOTAMTSA-N 469.611 2.530 30 10 JFEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722322095 JEXFYRINUNPAJG-BWKNWUBXSA-N 494.640 2.658 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722338105 DESZBRDSSKPYQT-FQEVSTJZSA-N 470.581 2.862 30 10 JFEE C#CCCCn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722339162 QXZYQBHCLIAPNW-BGYRXZFFSA-N 458.607 2.815 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722358330 AJBXCVJFBVGGAF-OAQYLSRUSA-N 482.610 2.566 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722364219 FHKIZSKJINRGMO-QFIPXVFZSA-N 485.654 2.878 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC2(C1)OCCO2 1722376576 TUVVCJFYCZHNRO-INIZCTEOSA-N 458.360 2.662 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(SC)cc2)CC1 1722446036 KLFPFPDMINZIJL-UHFFFAOYSA-N 461.595 2.666 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722535896 ILEREHYMARYIMC-FQEVSTJZSA-N 454.575 2.623 30 10 JFEE C=CCCOCCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722628308 ZQQXTVKEIRCYDY-XMMPIXPASA-N 479.622 2.969 30 10 JFEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1722628675 YQXWQMBPWIHOMG-IBGZPJMESA-N 476.622 2.687 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1722672089 JVTCFZSJYLAZOH-FQEVSTJZSA-N 475.590 2.660 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1722693999 IDLVOFREFBKQQM-GOSISDBHSA-N 470.599 2.720 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722697881 SONRZDCAJCCCHG-SFHVURJKSA-N 477.569 2.595 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722699208 SETOZNASJXFBDK-UFYCRDLUSA-N 455.559 2.733 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722737213 WZOCHBGMEUKMIA-UHFFFAOYSA-N 456.616 2.769 30 10 JFEE CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1722980148 HPURGMQJKQAIFT-UHFFFAOYSA-N 479.585 2.933 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1724188805 GXCBUKSFGCORSM-QNWVGRARSA-N 468.602 2.702 30 10 JFEE CCc1nsc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)(C)C)CC2)n1 1727643310 HGVWSJQQOGEAJO-UHFFFAOYSA-N 493.641 2.720 30 10 JFEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C1CC1 1729319825 HWQYGIUGWPGTQM-HXUWFJFHSA-N 477.535 2.753 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1740619926 MXVFNJCVHYBOBW-KRWDZBQOSA-N 458.584 2.779 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740620174 CAHKGGMUPAUKEL-NRFANRHFSA-N 472.659 2.658 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1740620556 QIRXAYNUNFWCJW-JTSKRJEESA-N 494.086 2.663 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740620597 QUYSWMFYXXRRRJ-AOUJKTHWSA-N 481.622 2.917 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)c1 1740657776 XXPNPXNQEJTQRX-KRWDZBQOSA-N 450.486 2.710 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1740659675 QEEAAPPRCDPIDV-VWLOTQADSA-N 483.613 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1C1OCCO1 1740660806 DTJISPGMALTJNM-UNMCSNQZSA-N 450.539 2.559 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1740681089 XEOPERSREWYKLV-ROUUACIJSA-N 460.600 2.638 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1740692522 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C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nnc(CC)s2)CC1 1588962119 VGQFLKOGZZECJX-UHFFFAOYSA-N 493.637 2.902 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCNS(C)(=O)=O 1589496324 XWNIYHOIYJWYJU-FUHWJXTLSA-N 453.996 2.565 30 10 JFEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1593770095 VUJMBPALPKSNJR-UHFFFAOYSA-N 494.575 2.829 30 10 JFEE C=CCC(C)(C)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1594529884 ZPUNGKDNQNGCJR-QHCPKHFHSA-N 483.679 2.781 30 10 JFEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1594733581 VLHBWVJTDVWBQW-HXUWFJFHSA-N 473.647 2.822 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 1595302830 FJGMPGMZASURFT-QGZVFWFLSA-N 478.619 2.925 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1595434606 JRMKKPSNWLCACI-UHFFFAOYSA-N 456.597 2.916 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1595434795 SLFRVPUVVUMNHB-UHFFFAOYSA-N 452.588 2.696 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1595490689 XEZXBNAFPPROPU-GOSISDBHSA-N 485.386 2.786 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)C1 1595730053 SRTOTJJAEQZOLH-AZUAARDMSA-N 484.557 2.881 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(c2ccnn2C)CC1 1595811895 GAEJWLLVNJBFPU-UHFFFAOYSA-N 460.629 2.649 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(Cc2ccccc2)CC1 1596822064 HMESBCVMHYAMBA-GGAORHGYSA-N 451.619 2.933 30 10 JFEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1(C)C 1616538690 DGKWFWKZXNCBTN-NJDAHSKKSA-N 486.642 2.881 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(COC)n2)CC1 1617249353 ASAFUCDQSASXOU-UHFFFAOYSA-N 486.623 2.871 30 10 JFEE CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)c(OC)c3)CC2)cc1OCC 1621184891 IEBHPYVVHKOTJT-UHFFFAOYSA-N 459.568 2.871 30 10 JFEE C=CCN(C(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)[C@@H]1CCS(=O)(=O)C1 1626455941 ARRHAYHVYRGJGR-JWRWLIQVSA-N 458.646 2.757 30 10 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471.598 2.817 30 10 JFEE C#CCNC(=O)C1CCN([C@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)CC1 1658405174 CKOCKXBIJUXASR-HZPDHXFCSA-N 459.612 2.838 30 10 JFEE C[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)Oc1ccccc1Br 1678505968 APTWCWMKGLCGFR-GJZGRUSLSA-N 459.348 2.798 30 10 JFEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(C(=O)CCc4ccccc4)C3)C2=O)cc1 1680308575 IFRIGLMGANGGIG-JTHBVZDNSA-N 459.550 2.587 30 10 JFEE C#CCN(C(=O)NCc1cccnc1Oc1ccccc1OCCC)[C@H]1CCS(=O)(=O)C1 1682761722 VVXQJOJXNTYTKZ-IBGZPJMESA-N 457.552 2.995 30 10 JFEE C#CCN(C(=O)NCC1(S(C)(=O)=O)CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1684039143 QCNHTTUGZXDUQZ-UHFFFAOYSA-N 455.621 2.778 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(Br)c1 1689861493 WDTFZZTYGHLHAE-OAHLLOKOSA-N 460.376 2.872 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1689984027 JXKAPRGOHHDXLU-IBGZPJMESA-N 466.592 2.565 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689984599 REBNKFHUHKQVMF-QGZVFWFLSA-N 463.991 2.579 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988512 QSPDXIHJZXEREZ-OAQYLSRUSA-N 472.659 2.784 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCOc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1689991252 YZJMQRNUKSVQFG-INIZCTEOSA-N 499.559 2.986 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689996619 KTFBCSYVVMSLMV-FXAWDEMLSA-N 478.590 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2ccnc2C)CC1 1690139608 UKRULCBFMXZTBS-UHFFFAOYSA-N 461.570 2.515 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCNC(C)=O)CC1 1690139635 VHFIBIIMIZDILH-QGZVFWFLSA-N 482.654 2.623 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1690144056 KNAXONHHEYNWJI-QGZVFWFLSA-N 457.529 2.917 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC)c1OC 1690210633 GAUFIVNSIUMQCV-RUZDIDTESA-N 467.570 2.661 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690236330 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BNFIAKSVPZFIOQ-IFMALSPDSA-N 457.550 2.911 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nnn(C)n1 1705881994 IIOPKFLQPBYFAZ-UHFFFAOYSA-N 467.759 2.572 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1705895009 QPQJDRZTHZROCV-UHFFFAOYSA-N 488.379 2.849 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(C(C)C)CC1 1705902704 IVLVGNFOAAMFNH-HXUWFJFHSA-N 489.665 2.615 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@H]21 1705936638 VOGRXLZCYRJVGW-OTWHNJEPSA-N 495.646 2.566 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705940084 VDLHTIRLOVCHBN-IBGZPJMESA-N 469.615 2.622 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1705960138 DUTVIFLQUNPJQK-SFHVURJKSA-N 450.572 2.524 30 10 JFEE CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C 1708768280 FGGWUCXKPSAHGR-HZPDHXFCSA-N 456.551 2.967 30 10 JFEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 1710298322 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1722371566 YBCMVDAERVAIIA-OALUTQOASA-N 477.569 2.672 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1722439635 JKVQAKMQASJGOP-UHFFFAOYSA-N 481.622 2.954 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722485066 XSWGTDOOMCRRRI-KRWDZBQOSA-N 452.397 2.920 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1722505227 JBGIKOAQDRNHGO-ICSRJNTNSA-N 495.550 2.807 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722519682 OHMKGRVZDLEWMK-SFHVURJKSA-N 491.614 2.551 30 10 JFEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722536866 RJBJMHOFOGSTPF-UHFFFAOYSA-N 484.626 2.992 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722605012 RGQPZCJNLYLRIQ-HOYKHHGWSA-N 490.605 2.974 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCNC(C)=O)Cc1ccsc1 1722686623 OYRMNFNLWVIKFY-UHFFFAOYSA-N 473.628 2.628 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722693655 WAHYOECCFUACCK-HXUWFJFHSA-N 498.609 2.741 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722706818 YYJYPGXSWDWOIL-WZONZLPQSA-N 457.600 2.565 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(OC)nc2)C1 1722713095 BFJMQXYDWMNPTJ-IBGZPJMESA-N 469.567 2.582 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCCS2(=O)=O)C1 1722713560 FKCQPTUMLSQYAY-SJORKVTESA-N 498.447 2.795 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722724273 SAXADXFBQUGFOA-QRVBRYPASA-N 460.556 2.535 30 10 JFEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1728352531 BDNZCNMTOFXTQX-FQRUVTKNSA-N 496.612 2.762 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC[C@H]2OC)c1 1740564498 PAWGZIJEAYUINI-DENIHFKCSA-N 494.621 2.742 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)SC)c1 1740565629 YXPFYTYLKZGHLU-GOSISDBHSA-N 451.600 2.947 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740581561 AQLXBEGJJUUHDD-FQEVSTJZSA-N 479.610 2.657 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1740588721 DQAXBOQWUAFAHD-UHFFFAOYSA-N 463.586 2.829 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1740616065 RMGVRUQPVWPSQU-CEXWTWQISA-N 468.606 2.521 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1740618029 AWYRKJHNYVXKFB-QHCPKHFHSA-N 480.638 2.565 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740626663 YELLONBCIZSLJT-PGRDOPGGSA-N 466.611 2.570 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1740681377 JBJQVPILHWGAOL-UHFFFAOYSA-N 457.538 2.977 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740738963 NTLIMKNVODRNCF-MOPGFXCFSA-N 485.471 2.515 30 10 JFEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740747151 AFGKODPZEYRSRR-UHFFFAOYSA-N 465.440 2.664 30 10 JFEE C=C(Br)Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740749395 UFMNFRHFYXLZBS-OAQYLSRUSA-N 484.439 2.922 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740753585 LQCUFMLBRGFNCC-CDXJDZJCSA-N 454.531 2.926 30 10 JFEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740784001 FBVOETHSCLSOQE-IFMALSPDSA-N 451.619 2.657 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1740930005 MIWNUYRGAMEKPK-SFHVURJKSA-N 450.543 2.659 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1740967559 KKJRQVMDMHNESR-OAQYLSRUSA-N 467.595 2.890 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740988938 ULUSSRGHASDVBS-GSHUGGBRSA-N 481.018 2.972 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740998979 VHBDNDWURSEGIR-QHCPKHFHSA-N 470.599 2.687 30 10 JFEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)C1 1741281273 DPUNYZCCYFBYPR-QFIPXVFZSA-N 493.656 2.916 30 10 JFEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1748805871 XSOHMODILDDSRA-XUZZJYLKSA-N 476.643 2.836 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1748820523 CXVVEYXNXGARDI-QFIPXVFZSA-N 480.638 2.740 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1748831278 JHOWWMMBMOUFBZ-RLWLMLJZSA-N 496.681 2.779 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1sc(C)nc1C 1748949779 BMPIXXILTZWHIQ-UHFFFAOYSA-N 473.624 2.751 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCN(CCC)C2)CC1 1748998879 DBZBLORHMNDRFT-HSZRJFAPSA-N 450.631 2.961 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1749054201 PNVZZUZHJKHMOC-VBKZILBWSA-N 451.593 2.790 30 10 JFEE C=C(C)Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749209242 RFJCXRZMULAVIB-WZONZLPQSA-N 465.595 2.625 30 10 JFEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1749247872 YUUPTNATQNPISD-UHFFFAOYSA-N 472.640 2.819 30 10 JFEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749277498 DKUAOKZSYUTMLT-HXUWFJFHSA-N 458.994 2.661 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1749352863 YKVINIZQDILMHB-UHFFFAOYSA-N 493.656 2.555 30 10 JFEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749416161 UYBAJVCNPSZEPW-UHFFFAOYSA-N 475.597 2.941 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1nnc(CC)s1 1749536692 UYXBRKFEHVVCTN-UHFFFAOYSA-N 462.583 2.927 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1749726921 JKOMRADNPQKQGT-JOCHJYFZSA-N 478.640 2.897 30 10 JFEE C=CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749764240 WXJMOYFDTQKUNR-BBWFWOEESA-N 464.636 2.683 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCN1C(=O)OC(C)(C)C 1750342314 FISLIBHIKAQZHI-GOSISDBHSA-N 482.585 2.804 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CCCCO1 1750965120 FCSMMVUPEPIGPE-GOSISDBHSA-N 471.993 2.837 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1760099437 GVSLOZIWFGXBST-HFZDXXHNSA-N 467.614 2.657 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1760144974 FWDDZPJZTHKOFU-HZPDHXFCSA-N 480.660 2.634 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760182030 ASNPUDSJYDLKRE-QFBILLFUSA-N 492.045 2.717 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1760191550 JLDHXBMOOUMYFQ-IBGZPJMESA-N 471.558 2.638 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1760220617 QBWXCXMKJGHBOE-QHCPKHFHSA-N 458.566 2.702 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCC1 1760241598 DVTMINFBALHGAO-IBGZPJMESA-N 460.575 2.918 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1760306422 GMIUTCVEGQLXGE-HZPDHXFCSA-N 497.438 2.968 30 10 JFEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760310451 FVSCZVCOGLWOSY-UHFFFAOYSA-N 498.447 2.982 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](N3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760313641 CLLKZJQSZYLVBZ-YLJYHZDGSA-N 454.413 2.903 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccsc2)CC1 1760314563 XGMZUYZUFGHDJZ-UXHICEINSA-N 458.632 2.781 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)=O)CC1 1760317853 KEFZRBSAGZIDDV-CTNGQTDRSA-N 454.531 2.893 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1760381080 YAEMIYKSVPIJCF-QZTJIDSGSA-N 454.015 2.928 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1760432391 IWFDAQBBNMSKOA-SJORKVTESA-N 484.667 2.984 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ccc(Cl)cn1 1760457332 OAFAKLOOLGFYKP-UHFFFAOYSA-N 476.990 2.945 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1)C1CC1 1760477258 VFGCQDOPKVUZSJ-KRWDZBQOSA-N 473.578 2.929 30 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C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)OCCCc3ccccc3)cc21 586303805 XKSJNZSLQPAUMQ-YTTGMZPUSA-N 455.532 2.705 30 10 JFEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1ccc(N2CCOC2=O)cc1 916952520 HIWAKEHBTFBROH-OAQYLSRUSA-N 496.545 2.779 30 10 JFEE Nn1c(NN=Cc2cc(Cl)cc(Cl)c2O)nnc1SCC(=O)Nc1nccs1 1084305979 ZRAGIAHWWAPZBX-UHFFFAOYSA-N 459.344 2.638 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1ccccc1[N+](=O)[O-] 1084611708 AIUNFRWRNKBYRK-UHFFFAOYSA-N 487.414 2.706 30 10 JFEE COc1ccc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)c(OC)c1 1125389376 FQKZBNMQDHGDDO-UHFFFAOYSA-N 458.312 2.936 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CCc3c(CC(N)=O)cccc3C2)nnc1-c1ccco1 1132125935 ZRDMABFICGUZHX-UHFFFAOYSA-N 451.552 2.819 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)cc2C1=O 1169612646 ZLIYHQROMSPHPV-UHFFFAOYSA-N 453.256 2.664 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286313548 CBBICTRBHOMQTK-GOSISDBHSA-N 456.978 2.627 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286322490 FPKWEBWJKFRWDX-WOJBJXKFSA-N 491.683 2.555 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1286350207 XEHCQARMCUKWFG-HKUYNNGSSA-N 480.537 2.773 30 10 JFEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCNS(=O)(=O)Cc1ccon1 1286362779 HZXUVWCZFWERSI-UHFFFAOYSA-N 490.998 2.990 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1286380986 KPCLDWHLLXLMSD-QFIPXVFZSA-N 497.665 2.628 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1286384591 ISKQHULDANMUGH-RBUKOAKNSA-N 460.600 2.752 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286387350 QDJJCEXWITWXLZ-HXUWFJFHSA-N 471.627 2.954 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1286409806 PAKOHTCMIOQRKN-IBGZPJMESA-N 479.537 2.628 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1OCC(F)(F)F 1286432752 WOTGPVKDEHDREO-UHFFFAOYSA-N 471.487 2.987 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1nnc(C)s1 1286464161 UYOWBWOGEDQBBK-UHFFFAOYSA-N 454.556 2.595 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCCC2(C)C)n1 1286470753 CNCDEXRWEWAZPB-OFVILXPXSA-N 470.618 2.944 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1286491577 YGOXCIKAWFVPDI-GOSISDBHSA-N 453.587 2.702 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)C)CC1 1286546117 GIXPBPUNGKMAMY-FPOVZHCZSA-N 453.591 2.827 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286547817 QDMWWMJRLBHIFG-ZHEXZJMTSA-N 492.473 2.890 30 10 JFEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286685754 YJFXPNAJXJUKMR-JOCHJYFZSA-N 453.635 2.928 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286748344 WGHROOMUZPKQKK-KRWDZBQOSA-N 458.563 2.886 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1286757566 RBPCEVFGDQOWRG-SFHVURJKSA-N 457.583 2.648 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286820186 GTMBXFDDRBDHFU-UHFFFAOYSA-N 469.652 2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286820925 VVOBQHUEFVRNKL-HXUWFJFHSA-N 488.610 2.578 30 10 JFEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1286957961 HNODLLOZBGPHBG-UHFFFAOYSA-N 480.594 2.562 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1290553106 FRBIWMOMFQAFST-UHFFFAOYSA-N 462.602 2.762 30 10 JFEE C=CCOC[C@H](NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1)C(=O)OC 1297029538 IUDLTWDNEIKUJI-SFHVURJKSA-N 452.916 2.615 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1298285064 BVUSHCPBJWUCLQ-IBGZPJMESA-N 488.614 2.903 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1300310851 ZXQIPTHYNPPRRI-WWNPGLIZSA-N 469.655 2.940 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1300425201 RJCUXLTWTMVSDT-UXHICEINSA-N 453.591 2.940 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300479377 NAHFJLWUWBMKKL-GOTSBHOMSA-N 499.681 2.584 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1300498095 GQQAQIUPRZBIQQ-JOCHJYFZSA-N 487.645 2.757 30 10 JFEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOc2ccccc21 1300675509 SLMRAUYYNOTRRB-GOSISDBHSA-N 465.579 2.922 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2nc3c(s2)C[C@H](C)CC3)n1 1300680787 DXVWSNSRNJLXLQ-QGZVFWFLSA-N 453.616 2.953 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1300732790 PHPQYEIUIHBSOY-SJORKVTESA-N 464.636 2.522 30 10 JFEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1300754212 LWXHPFHCUHXWBX-UHFFFAOYSA-N 476.606 2.606 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300779637 CEJJASFIBALPNE-YZZKKUAISA-N 475.590 2.831 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300888813 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C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1689841688 MBQVBJMITPUVET-DNVCBOLYSA-N 467.492 2.683 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H](c2cccs2)N2CCOCC2)c1 1689869060 ZQDNIFJAARWGTE-NRFANRHFSA-N 464.595 2.778 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689913774 VEUVFUCKYYQENC-QGZVFWFLSA-N 451.506 2.557 30 10 JFEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689917891 JJECIRLOEVZGPA-UHFFFAOYSA-N 485.386 2.950 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ccc(OC)cc1 1690017895 OAWTTWYKFKBEIQ-UHFFFAOYSA-N 471.565 2.613 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C2CC2)CC1 1690077558 RHDNAJOYQGSNSI-NRFANRHFSA-N 472.634 2.920 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[S@](=O)C(C)(C)C)CC1 1690117716 SJIMNCAVRKTKMB-XIFFEERXSA-N 473.643 2.655 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2nc(C)cs2)CC1 1690150807 VZNXWNYLPCFTQX-UHFFFAOYSA-N 464.595 2.679 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690230928 VRBKLLFHUMUXDQ-HXUWFJFHSA-N 474.451 2.777 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1690464994 OZAFMDPNHVCKDI-IBGZPJMESA-N 497.662 2.956 30 10 JFEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690469588 UYFHTCRSECGLEU-QGZVFWFLSA-N 466.633 2.762 30 10 JFEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690524577 ODFZNPPQBZUGTR-KRWDZBQOSA-N 477.491 2.869 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1690559588 HNTCMPKFWVFIFT-UHFFFAOYSA-N 469.611 2.940 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1690673788 DQDHCSNXXHEDPE-RDTXWAMCSA-N 458.613 2.964 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1cccs1 1690995352 IABIBZICIKVSNA-OPAMFIHVSA-N 488.639 2.760 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCSCC1 1692834346 IDYDZKGSPACPPG-VQIMIIECSA-N 463.007 2.849 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccnc2)c1 1705504334 TTXWVXJHVFQUDY-AREMUKBSSA-N 474.565 2.624 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCN(C(C)C)CC1 1705597802 QTCYIMJTLWYQHA-UHFFFAOYSA-N 455.553 2.845 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCn2cc(C)cn2)CC1 1705644913 GELYFSZHQNAMFS-HSZRJFAPSA-N 459.598 2.991 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](OC)C(C)C)CC1 1705646194 UFJDLSFOFLDGGJ-JOCHJYFZSA-N 469.586 2.599 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705646972 VLRPXWXAGJZUPC-BGYRXZFFSA-N 482.629 2.700 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1705649311 SPOANBUQMLZSQR-SFHVURJKSA-N 462.529 2.913 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705704118 QITAKVBKJAXPFG-WIYYLYMNSA-N 477.606 2.831 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705710700 ZIARQAGMUYALJX-ZRXZBVFWSA-N 470.570 2.507 30 10 JFEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705722737 XZZYSJAGBTZBLU-LJQANCHMSA-N 467.574 2.952 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 1705724353 IFECNPWBKUNUCM-UHFFFAOYSA-N 453.572 2.550 30 10 JFEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705727084 DXTAYJBSKXCPMG-UHFFFAOYSA-N 461.570 2.871 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705728938 DIKZOMOJFZCWOL-UHFFFAOYSA-N 464.611 2.845 30 10 JFEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOCCS(C)(=O)=O)CC1 1705784165 KGSLUTMFCIFPLI-UHFFFAOYSA-N 457.600 2.745 30 10 JFEE C=CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705809139 IYOMVKASIXSENH-FQEVSTJZSA-N 480.613 2.658 30 10 JFEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705887257 WANHYUDFTGMOLP-YLJYHZDGSA-N 452.559 2.988 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1705898216 FNDHEHGBRYVIPK-VWLOTQADSA-N 469.586 2.668 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCCCC2)CC1 1705907911 BQHQPYWBEMNSJU-UHFFFAOYSA-N 468.602 2.623 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705908105 IBEGOISZRDZAQM-UHFFFAOYSA-N 494.575 2.538 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705931790 AMSYTIYVCDEYPJ-UHFFFAOYSA-N 469.615 2.671 30 10 JFEE C=CCSCCn1c(-c2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705944482 IKLXGYYLDXIFIG-UHFFFAOYSA-N 465.645 2.733 30 10 JFEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1709429220 HQWLCZRFFDEXNW-NRFANRHFSA-N 498.653 2.774 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1710166090 CEDYQNCMZFIEBV-KRWDZBQOSA-N 451.643 2.536 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1710862775 GCDRPJPWMVLQSK-GOSISDBHSA-N 475.615 2.683 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1 1710867154 HALUZFNIXUCCNR-NRFANRHFSA-N 459.597 2.657 30 10 JFEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1711275504 IFJPLHNIOOJVLA-VQTJNVASSA-N 456.616 2.560 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncnn1C(C)(C)C 1722277856 NYHWPQAAFJIXJC-HNNXBMFYSA-N 453.547 2.824 30 10 JFEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722320869 MXWSPOIWNSYQGX-UHFFFAOYSA-N 464.570 2.798 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1722358817 GGRCKFISTDYQLM-AWEZNQCLSA-N 489.342 2.568 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCOCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722359138 QFOZJELWPFFAHW-OAQYLSRUSA-N 458.628 2.852 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722359391 SMSJDVXWGKTSIL-XMSQKQJNSA-N 465.019 2.763 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722362103 SCSULHBQUZWTGC-XLIONFOSSA-N 453.543 2.910 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(N2CCOCC2)nc1 1722385426 FTXOBEIOHHHFPG-UHFFFAOYSA-N 456.550 2.518 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC(C)C)c1C 1722431716 PSQKNEZJPIYDPU-UHFFFAOYSA-N 458.570 2.861 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722463091 ULMDINOPMRGNMY-KRWDZBQOSA-N 477.560 2.956 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1722474715 IDGMHWINGXCIBM-FDDCHVKYSA-N 459.591 2.884 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1722507422 ILDDGJJERUZBRI-RLLQIKCJSA-N 495.671 2.599 30 10 JFEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722528858 LGMWRIAJYNDSIY-SFHVURJKSA-N 456.572 2.551 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722605025 RQUKSFZBCFRLPZ-ZWKOTPCHSA-N 485.651 2.812 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCn2nc(C)nc2C1 1722627874 POHSSOZOQAQSKD-IBGZPJMESA-N 486.621 2.905 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722700044 UJCAVZFFICTYRN-SFHVURJKSA-N 470.593 2.687 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1722727265 HGPFQVJDXSWNQQ-HKUYNNGSSA-N 464.588 2.854 30 10 JFEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCSCC1 1722912132 IECOKZHPJULUML-UHFFFAOYSA-N 453.660 2.818 30 10 JFEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1728470630 FENWBGXZXQUOJT-QFIPXVFZSA-N 451.619 2.848 30 10 JFEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1729539192 DLUBOLJMSXAGPZ-IBGZPJMESA-N 488.518 2.946 30 10 JFEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2nc(C)cs2)CC1 1730417753 BYQYRHCMVFLZIK-MRXNPFEDSA-N 465.583 2.680 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1740550398 PSEKFRDEZJRWRJ-HNNXBMFYSA-N 495.385 2.792 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CN(CC(C)C)CCO1 1740629898 AGJHPQQDKSCWPL-QFIPXVFZSA-N 457.582 2.765 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1 1740639965 HJQXDOVIEIEHSB-OAQYLSRUSA-N 470.618 2.535 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCN(C(=O)OC)CC1 1740680584 HTJCTXBSFWIUIY-UHFFFAOYSA-N 471.558 2.527 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1c(C)nn(C)c1C 1740680606 IODSSTVJVMSTMN-UHFFFAOYSA-N 460.380 2.531 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1CCN(CC)CC1 1740685466 GGFRHASRNWKWRE-QHCPKHFHSA-N 453.587 2.999 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cnn(CCOC)c2)CC1 1740690954 QXQBZEQQVWWAKN-LJQANCHMSA-N 484.004 2.718 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1740709998 UCQQAMHMBFUKAQ-LPHOPBHVSA-N 459.641 2.695 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 1740713161 HAODQIUXXROQCT-QGZVFWFLSA-N 453.572 2.762 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740719669 JCMZKTDSGIMSIS-FQEVSTJZSA-N 453.620 2.556 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740760148 GWDOHOSYYHRROC-WTGUMLROSA-N 466.648 2.945 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740836414 PAURCOXTWNHXJQ-PXDATVDWSA-N 460.667 2.747 30 10 JFEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1740853793 IZKDCLFZFTVAJP-AZUAARDMSA-N 467.599 2.565 30 10 JFEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740883607 AACPTCNUSOKRMW-QFIPXVFZSA-N 491.640 2.932 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740893795 WZGXKGVALRICAN-KRWDZBQOSA-N 464.412 2.601 30 10 JFEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)N(C)C1CC1 1741861934 BQJWAJKFLQQPNN-HNAYVOBHSA-N 464.492 2.979 30 10 JFEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1744390274 CCPGMPPVWQGVLS-QHCPKHFHSA-N 452.490 2.884 30 10 JFEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1746611769 FILOPWFPIJCGBK-HXUWFJFHSA-N 454.575 2.896 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1748759765 OOPBWGASIFMNDT-MRXNPFEDSA-N 469.571 2.767 30 10 JFEE 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476.672 2.858 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1300952406 UHFIYXQZYGSTEY-RTBURBONSA-N 474.606 2.754 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1300971912 COJGGFLKSUYKPU-QHCPKHFHSA-N 461.994 2.846 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1300972172 HWMIQNQJULJSAW-LJQANCHMSA-N 465.562 2.568 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301024186 MALMTYHPERNMMV-OAHLLOKOSA-N 479.766 2.933 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1301372194 JRAXFXALRLPLRC-FOIQADDNSA-N 451.618 2.616 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301492267 CLSMNOBBHGVJKQ-IEBWSBKVSA-N 484.601 2.995 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CCOCC2)CC1 1301515670 XKHWFGPWZUJDKM-UHFFFAOYSA-N 496.656 2.892 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301622691 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1359045380 FKLOXJYGIBKDTG-PWRODBHTSA-N 471.646 2.978 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1359091009 IHRRTWUHPFKORN-DIJFTKHXSA-N 475.615 2.657 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1)c1ccccc1 1359139575 WVRKQKPDSHATEZ-UUKMXZOPSA-N 463.579 2.509 30 10 JFEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359151772 AZPDQQSFQMUUKS-OAGGEKHMSA-N 488.054 2.746 30 10 JFEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1359195674 QABNGRUUKMNZID-FPOVZHCZSA-N 466.611 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359333872 MQVPXUOLZLDDHE-HTAPYJJXSA-N 481.018 2.507 30 10 JFEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1359493899 FHFPNSYBXXOPAW-NRFANRHFSA-N 479.629 2.956 30 10 JFEE C#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)[C@@H]1CCCO1 1448020588 LFEPBBFHFQMZBA-UXHICEINSA-N 456.520 2.559 30 10 JFEE CN(C)S(=O)(=O)C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C(F)(F)F 1459966315 IENAZTBUERREDU-GOSISDBHSA-N 455.458 2.689 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 1464031371 YKERIFVOJJTKTA-MBSDFSHPSA-N 463.600 2.918 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1465259144 MVZFJXOKKRHKBA-UHFFFAOYSA-N 458.584 2.776 30 10 JFEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(C(F)(F)F)cc1 1466282082 ZVZQSMBUGKLCDL-NJAFHUGGSA-N 458.502 2.865 30 10 JFEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1500078170 FTSWMMNYYOZYSR-NQIIRXRSSA-N 461.574 2.630 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)c1cccc(O)c1 1507538676 VMRJIBXRAFWXKJ-SFHVURJKSA-N 457.538 2.500 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507547178 UTNOFZAUUDGQSX-FXAWDEMLSA-N 481.519 2.977 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCO2)c1 1507552498 PJMOPPJCHSNSST-QFIPXVFZSA-N 461.570 2.765 30 10 JFEE C#CCCCCn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1507561275 SZXFZKUJQHCUHU-LJQANCHMSA-N 491.658 2.867 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1507578425 YDCWEJFFMQZEDY-HXUWFJFHSA-N 459.616 2.860 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507627073 IIYKWLUYHSXFIK-LJQANCHMSA-N 494.061 2.964 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507640450 SRXBOEHFSNEOBT-QHCPKHFHSA-N 499.681 2.575 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCN1CCC(O)CC1 1507646457 UZCHWACJKJIASD-UHFFFAOYSA-N 486.414 2.636 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1CC 1507669658 PBMUCACALUWJKA-UHFFFAOYSA-N 485.640 2.822 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507679144 HCLUGARLCHUPMP-MRXNPFEDSA-N 476.603 2.743 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)CN1CCOCC1 1507703743 FAAQUHUGDTWTND-GOSISDBHSA-N 476.419 2.762 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](CC(C)C)N(C)C)CC1 1507729378 HBIGQAKJCUXPCW-OFNKIYASSA-N 452.603 2.522 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(Br)cc2)CC1 1507733014 MWQPJOMLHCLYML-FPOVZHCZSA-N 488.430 2.763 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2ccc(F)cc2)CC1 1507734455 XCHULRABBAJEAA-SFHVURJKSA-N 489.555 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C)c(OC)c2)CC1 1507739297 FBLSXFKBDMIMGN-UHFFFAOYSA-N 458.566 2.595 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507785374 QCHHOFZVHOTMIG-OAHLLOKOSA-N 491.390 2.622 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 1507797961 TYXPHPOTWMZDRX-LAUBAEHRSA-N 471.558 2.832 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1507872177 AHTMDAYJDXYOEZ-ICSRJNTNSA-N 496.033 2.656 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1 1507998702 DFWSAQLXPQXJSZ-NFBKMPQASA-N 477.613 2.794 30 10 JFEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508047123 LRNRRSAQPZZJCX-OAHLLOKOSA-N 468.421 2.968 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(O)(CC)CC)C1 1508128951 ZOODJNFIRYZZSY-RBUKOAKNSA-N 479.622 2.919 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](c1ccco1)N(C)C 1513017122 GMCGRKIFEIHVRA-PXNSSMCTSA-N 465.606 2.928 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1513766710 GOBZPRFYOSKPKX-UHFFFAOYSA-N 492.628 2.717 30 10 JFEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1515575713 ATRPOVBSDOZJMS-DEOSSOPVSA-N 464.662 2.765 30 10 JFEE CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1F 1517297492 BLDRQWMOGQTLJK-SFHVURJKSA-N 460.579 2.586 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N(C)C1CCCCC1 1519165772 BSNKVHVYKNDGGT-UHFFFAOYSA-N 468.558 2.831 30 10 JFEE C=C(C)Cn1c(SCC(=O)NCCn2cc(Br)cn2)nnc1-c1ccco1 1532060465 HODMCVPORAYFHI-UHFFFAOYSA-N 451.350 2.982 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539032407 WAORSEYMVGISSS-ONTIZHBOSA-N 471.627 2.828 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCOc2ncccc2F)c1 1539041987 ANBBRHHJPYCBAG-LJQANCHMSA-N 478.528 2.841 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OCC2CC2)nc1 1539178903 MBESJQSBLKLTAW-FQEVSTJZSA-N 482.585 2.888 30 10 JFEE C#CCN(c1nnc(CC)n1CCc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1539219749 MIGUCAVNQUQAHY-HXUWFJFHSA-N 453.568 2.673 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539351815 IKUBGSSSHOVTMJ-MSOLQXFVSA-N 463.007 2.657 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(C(N)=O)CCCC2)CC1 1539431039 OKGUOUDNHFKTCW-GOSISDBHSA-N 471.005 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](Cc2ccccc2)OC)CC1 1539482930 YQFLFDXXAYKGFI-GOTSBHOMSA-N 465.598 2.743 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539504999 DNNVWOBRNYGDKI-JOCHJYFZSA-N 498.697 2.551 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1539642036 OPIZGUHYVAYUPX-WMZHIEFXSA-N 455.559 2.515 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1539665641 CORXWJABXKLYSO-XMMPIXPASA-N 452.559 2.883 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1539705440 TVYNKOIOLSFDIR-HNNXBMFYSA-N 487.395 2.657 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1540858512 ZTBBNPSTOUKLDD-MJGOQNOKSA-N 457.579 2.575 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1540866629 UYLITRQVYRUZNW-WJOKGBTCSA-N 458.975 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC1 1540898777 UMTCPGSIDFFCSZ-UHFFFAOYSA-N 455.378 2.917 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1540918321 OOSLLLIIDDUYOD-UHFFFAOYSA-N 464.595 2.851 30 10 JFEE Cc1noc(C)c1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1543379992 GNBIGRBSFAOWMY-NRFANRHFSA-N 458.519 2.638 30 10 JFEE CN(C)C(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1ccncn1 1548379463 CLPPTFVGVPSLNL-FQEVSTJZSA-N 486.498 2.957 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1554493644 HWDKRHABZXYVJK-OAHLLOKOSA-N 450.572 2.847 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1555419974 BDQMEFFFZYPQGV-CVDCTZTESA-N 468.583 2.947 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1587783567 TVRKUFMDVHRXJH-LJQANCHMSA-N 458.607 2.897 30 10 JFEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587787812 RNAWUZYVLRPHLO-YKSBVNFPSA-N 482.604 2.789 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1588034607 JCFAXQVVRFRZTG-OAQYLSRUSA-N 495.605 2.813 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccsc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588050587 SUUQVTIOHFTTTA-TZIWHRDSSA-N 499.666 2.506 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588059361 MQHINQYJKJQSGJ-RTBURBONSA-N 460.600 2.579 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1588064621 LNCMTPRAISIXCW-NRFANRHFSA-N 499.662 2.902 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1588185495 HKJOYHQNXGTKQP-YIXXDRMTSA-N 478.593 2.918 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588742170 OWBPFOFIXFTSDN-IMSXRSKXSA-N 483.613 2.624 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2ccccn2)CC1 1588899867 YUNKTUZJEMEOKO-UHFFFAOYSA-N 474.565 2.566 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1589043469 ZHBFGSQJSDIFSE-FPOVZHCZSA-N 455.628 2.867 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OCCOC)C1 1589317118 KYANJEVILSZVQG-KRWDZBQOSA-N 499.431 2.889 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589715758 UKNMPDOYAFCWIM-ZWKOTPCHSA-N 456.566 2.922 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1594013117 CJQNJJDHMMKMHV-RXVVDRJESA-N 460.648 2.910 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1594193048 NGRARHJUWXDEDE-LSDHHAIUSA-N 464.661 2.920 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1594461746 XLYBQZHPEVKDPC-UHFFFAOYSA-N 471.425 2.720 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCCO1 1595099499 COYNSGSARATCEC-OFNKIYASSA-N 455.584 2.814 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1595497301 XCEGONWYYRANDO-QZTJIDSGSA-N 454.531 2.799 30 10 JFEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1595607338 DTHCXULWJBDMHX-QFIPXVFZSA-N 489.642 2.645 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC(=O)N2)C1 1595699096 BPMZQHLSLOYLLV-HUUCEWRRSA-N 464.339 2.907 30 10 JFEE 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2.733 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1588293074 MGBCROBIWYVMJL-IBGZPJMESA-N 476.585 2.923 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCNC(=O)C(C)C)CC1 1588750542 FAMTULZKMRQWBD-LJQANCHMSA-N 473.021 2.989 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOCC)CC1 1589434752 TUROFNCUIBCWSR-UHFFFAOYSA-N 455.426 2.701 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COCCOC)C1 1593885392 NGWSCKBDMZPJQW-ROUUACIJSA-N 486.013 2.828 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594798058 NOUUABFOEOUMFG-OFVILXPXSA-N 496.656 2.925 30 10 JFEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCOCC1)C1CC1 1595054980 WHMAJVNLQNIAQM-UHFFFAOYSA-N 488.633 2.830 30 10 JFEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(Cc1ccc(F)cc1)C(C)C 1595537152 MMEZSIMBPXOYPI-UHFFFAOYSA-N 454.506 2.862 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C[C@@H]1CCCO1 1595545218 RVIBEHKVKZLMRQ-IBGZPJMESA-N 476.622 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1595766591 UOUJISNGDHTAOW-UHFFFAOYSA-N 496.637 2.755 30 10 JFEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C1CCCC1 1596865961 DCHPPKFHXVUVSV-ROUUACIJSA-N 458.632 2.949 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCOCC1 1613332186 HOVFJJOEKYJVQW-NRFANRHFSA-N 451.619 2.708 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2c(C)noc2C)CC1 1616000782 ATWWXPQIVBUDCC-UHFFFAOYSA-N 479.541 2.855 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CCOC1 1616204275 BPXXHKNSVLVHSS-PDIWNELESA-N 480.585 2.875 30 10 JFEE CC[C@@H](Cc1ccc(Br)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1618541165 BDGBNYFWRLXFMK-HNNXBMFYSA-N 450.358 2.625 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1 1624890033 CYBASYFGEIPANB-UHFFFAOYSA-N 459.325 2.799 30 10 JFEE C#CCN(CC#C)C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 1634198439 DXMVNWHEFMXMLV-RUZDIDTESA-N 452.514 2.955 30 10 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2.956 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1689984115 LLRHABHPUCJFRR-NRFANRHFSA-N 455.628 2.619 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689992381 KHAAXTLZDRGKPD-GGAORHGYSA-N 499.681 2.769 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1689994509 ZQGUWZPJOONAIA-RTWAWAEBSA-N 490.699 2.525 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCc1ccco1 1690005802 CTEKUSPHAPQFAK-UHFFFAOYSA-N 452.312 2.690 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCCCCC1 1690011910 IERZXCDRDHROMA-UHFFFAOYSA-N 455.566 2.996 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CCOCC1 1690049970 NRYFGXOLACQFFH-UHFFFAOYSA-N 454.578 2.607 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)n1 1690108224 SATKSKJFBANTDR-UHFFFAOYSA-N 473.585 2.687 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CSCCS2)CC1 1690152290 FZAZMYCIINNJAX-OAQYLSRUSA-N 485.679 2.980 30 10 JFEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690181248 RCQOSECTZGCLQY-JOCHJYFZSA-N 467.639 2.647 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1690196055 WTKYXHDTVGXQEG-CLJLJLNGSA-N 481.597 2.837 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COCc2ccccc2)C1 1690219425 DLAVLZZACOFUBH-FUHWJXTLSA-N 498.447 2.840 30 10 JFEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690230258 WRFZFSIICPVQGN-GDBMZVCRSA-N 469.767 2.791 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690319398 LKTFEIIRXPEMJD-HXUWFJFHSA-N 482.585 2.803 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690500346 SABPIAJXPUFOGS-QGZVFWFLSA-N 469.405 2.924 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(O)CCS(=O)(=O)CC1 1690519300 DYVSXTJJRSCHNH-UHFFFAOYSA-N 472.567 2.679 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1690660838 PECXILPGRKUEDI-SJLPKXTDSA-N 488.976 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690719463 MKSFJDJDGFUFOR-ZHRRBRCNSA-N 497.017 2.592 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1690720270 DGPWBFKDSJLQNY-UHFFFAOYSA-N 487.655 2.677 30 10 JFEE CN(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1)c1c(F)cccc1F 1696596557 CANHOTMRWMTAHK-MOPGFXCFSA-N 457.529 2.940 30 10 JFEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CCN(C)CC1 1698361016 CTPKCBSBKJATKK-KRWDZBQOSA-N 476.672 2.513 30 10 JFEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705531732 UQKKSMOVXXNMRI-MRXNPFEDSA-N 456.547 2.865 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705559904 BVUCYBZSDLKACH-NZSAHSFTSA-N 494.564 2.724 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1705559955 CFGUTGFONLXVEQ-IEZWGBDMSA-N 461.519 2.618 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1705567870 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466.630 2.671 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)nc2OC)C1 1749715531 TWSJCSKUHHLFIF-SFHVURJKSA-N 456.572 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749723968 FBCVTWPBZIIFGE-KSFYIVLOSA-N 494.017 2.531 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749731461 DUUFDJJXJLWHNY-SFHVURJKSA-N 476.599 2.607 30 10 JFEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1750583536 AXNZVCBXWVLHCV-KBMIEXCESA-N 466.586 2.631 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760129931 AWIVENILXBQSHV-INIZCTEOSA-N 460.380 2.880 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)NCC(F)F 1760196132 LAVRMPZWWXCBSX-UHFFFAOYSA-N 454.506 2.831 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1760248082 AAXCFCKGMVFULH-UHFFFAOYSA-N 493.568 2.547 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2c(C)nn(C)c2C)n1 1760252724 QHCYOYDNRROEHW-UHFFFAOYSA-N 473.585 2.530 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760350339 DJKVFCGBLSGZEZ-INIZCTEOSA-N 498.447 2.770 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)=O)CC1 1760350634 NWXJBSFJEMPPAR-UHFFFAOYSA-N 451.369 2.687 30 10 JFEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1)c1ccccc1 1760363040 CODGMZGGXWJQAV-LEWJYISDSA-N 471.627 2.636 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760396445 DJAXFSBLIZKUQN-UGKGYDQZSA-N 452.621 2.546 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760406902 PEXNIZUHUCLKJE-OAQYLSRUSA-N 477.617 2.758 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1760450088 DBFGDAUUANVNTK-OALUTQOASA-N 497.662 2.514 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccnc(-n2cccn2)c1 1760464740 NXGJMZAQDLTZBH-IBGZPJMESA-N 480.573 2.838 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)N(CC)CC)CC2)cc1 1760529668 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C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1286801222 APSRVLDHZFHDKZ-PMACEKPBSA-N 476.503 2.861 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1286832693 XQGJRNJUNZXBIQ-HKUYNNGSSA-N 466.604 2.816 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)c1ccccc1F 1292083334 DNLSFLPHWBJDEK-XMMPIXPASA-N 469.565 2.896 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1297746964 GKACKYLYUNUYDD-FQEVSTJZSA-N 474.631 2.786 30 10 JFEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1299749360 AAROWULBDUOPNI-NVQXNPDNSA-N 479.629 2.765 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(O)CCCC2(C)C)c1 1300331833 RTERFHPCMQIACU-KAYWLYCHSA-N 495.624 2.928 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2cccnc2OC)c1 1300333035 SXHTZQBONQRKNM-UHFFFAOYSA-N 453.506 2.848 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300591492 RVFRBGNXQXMWTE-NRFANRHFSA-N 497.665 2.899 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)n1 1300675923 HXRWBDOQSSYAKH-NRFANRHFSA-N 481.507 2.724 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCCOC)C1 1300870139 QGAYNBDTWSVLHT-VWPQPMDRSA-N 490.626 2.572 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300890126 TZAHVJNDMMSWOI-UZSNPODYSA-N 458.651 2.639 30 10 JFEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1300984699 HIXJHRUKKJJRMV-QUCCMNQESA-N 452.559 2.602 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1301040592 GQLVGUDVQMEZIY-RTBURBONSA-N 450.992 2.976 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301435547 BNRZMPPGZMTMLQ-MRXNPFEDSA-N 477.338 2.799 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1301478108 IFEBRQQVCZJFIC-UHFFFAOYSA-N 496.538 2.556 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301499897 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SEZBTXDKXOCZEG-UHFFFAOYSA-N 458.538 2.720 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1359044396 FAPUITXOJSETCS-QFIPXVFZSA-N 452.578 2.953 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c(C)nn(C)c2C)CC1 1359046891 JQYCNKKLZNNLDY-UHFFFAOYSA-N 489.624 2.838 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cccs1 1359090682 FDQSPXOFOJTTFE-JZXOWHBKSA-N 453.634 2.958 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C(=O)NC 1359133288 OOHHENBFTODPDD-GOSISDBHSA-N 478.638 2.804 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1359187671 TXFQHBMQETUQLC-KDURUIRLSA-N 452.559 2.644 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C1CCCCC1 1359271928 GUEKDOHBJLTGEI-VXKWHMMOSA-N 492.690 2.587 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359291753 BABBUBLJBXDBKJ-KFKAGJAMSA-N 472.977 2.621 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](N3CCCC3)C2)cc1 1359306929 VJLOHTFTUVGKRW-CTNGQTDRSA-N 488.658 2.566 30 10 JFEE N#Cc1ccc(N2CCC[C@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2=O)cc1 1435866333 BDEBVXBUPJFPCG-IBGZPJMESA-N 453.296 2.883 30 10 JFEE COC(=O)[C@H]1CCc2sc(NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)nc2C1 1466902591 BDKQNBMVVVVGRH-HOCLYGCPSA-N 453.524 2.610 30 10 JFEE C=CCC[C@@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 1468646917 GWWLELGEKIFAMF-OAHLLOKOSA-N 458.364 2.918 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 1469884183 IUCMNUKUMQXJDV-FQEVSTJZSA-N 451.493 2.996 30 10 JFEE COC(=O)c1nccc2c(S(=O)(=O)N3CCCN(c4ccccc4C#N)CC3)cccc12 1474930591 GRZONSKIVPFMFA-UHFFFAOYSA-N 450.520 2.794 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c1 1475166704 ASCOKJLQPHKGRA-QFBILLFUSA-N 451.589 2.916 30 10 JFEE CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCS1 1497739645 BVRAPSUVLPAKKN-QHCPKHFHSA-N 470.643 2.907 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(CN2CCOCC2)CCCCC1 1507511987 BCRGDUZOLIVBRD-FQEVSTJZSA-N 458.651 2.937 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1507558040 PLOSRUUVLUGVJF-TZIWHRDSSA-N 470.643 2.672 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507629580 UULBLJHUFWECQK-QGZVFWFLSA-N 467.998 2.705 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507632162 XUXGWDABJKCICG-FQEVSTJZSA-N 465.579 2.641 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507635675 UODPFYXGXXXALB-HKBOAZHASA-N 474.602 2.837 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1507653133 NMJBZAWRFMHYGG-UHFFFAOYSA-N 458.566 2.833 30 10 JFEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1Cc1nnc2n1CCCCC2 1507714213 JUOBYTXPIWOAQH-UHFFFAOYSA-N 463.586 2.926 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1507844337 IHRFDKADNKNGKW-NRFANRHFSA-N 476.647 2.503 30 10 JFEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1)c1ccccc1 1507852551 UVUHCKFFQNRMGQ-HSZRJFAPSA-N 466.630 2.876 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(F)(F)F)CC1 1507902217 JDOHWLKOKDTMLJ-HNNXBMFYSA-N 465.542 2.602 30 10 JFEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507904997 QODIBPQOZYRFKI-NRFANRHFSA-N 471.675 2.979 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507915148 UFAMZRVEVUIIDL-HXUWFJFHSA-N 454.623 2.504 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1507955049 VETDMBUAASPMGL-ROUUACIJSA-N 463.579 2.942 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1)C1CC1 1507993866 UQVMYIUFKXCQLE-OAHLLOKOSA-N 498.390 2.988 30 10 JFEE C=CCn1c(N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508068288 XVFYXXZSTOTTEF-SANMLTNESA-N 483.613 2.795 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)C[C@@H](C)C2)cc1 1508101025 SLOMCFFYMJVGKM-KNKQGSTJSA-N 489.642 2.706 30 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C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC(=C)Br)n1 1286470945 GMAQLVQSLZWOBF-UHFFFAOYSA-N 458.364 2.675 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCOCC2)CC1 1286486444 FHCVSTVJNFKZQB-UHFFFAOYSA-N 460.582 2.989 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(C)cc(OC)c2)CC1 1286495263 YOOWPGDCGYLFLG-UHFFFAOYSA-N 458.566 2.595 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286588263 NMGOCWQUPOCAKC-UHFFFAOYSA-N 468.602 2.673 30 10 JFEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)NCC)CC1 1286607051 JSULFCLZWJUANO-UHFFFAOYSA-N 464.574 2.575 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286623302 FLCLKDYQDJXASP-ACJLOTCBSA-N 496.841 2.777 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 1286628523 CZBLQWHBAWBEAG-PKOBYXMFSA-N 466.007 2.666 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N2CCCC2)CC1 1286652550 YVRWPVYWNQTJIO-PKOBYXMFSA-N 462.620 2.721 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCO1 1286744562 LFACONZAVSNSHJ-AEFFLSMTSA-N 451.568 2.789 30 10 JFEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286785528 MVTVKNJXEVNFMQ-UHFFFAOYSA-N 493.509 2.761 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 1286814205 NEKHOVXTOWVRKC-GOSISDBHSA-N 478.018 2.864 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1286830791 RMWBNZDAKGNMDW-UHFFFAOYSA-N 481.626 2.699 30 10 JFEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(C)C 1295865102 BIZUUDDKOZATGY-NLFFAJNJSA-N 468.602 2.843 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CC1 1299434150 AVGIIAVZLNYRIL-UHFFFAOYSA-N 451.575 2.827 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cc(Br)cn1 1300302402 ADDRLYVPYOWFPP-OAHLLOKOSA-N 495.385 2.699 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCC(=O)N2CCCCC2)c1 1300334618 ROKIRXHQIKGSIG-UHFFFAOYSA-N 485.592 2.723 30 10 JFEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C(CC)CC)N1CCOCC1 1300455936 QSMXGUBOFCCDFA-NRFANRHFSA-N 463.586 2.800 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1300498037 GCDGBLYEUUJFCJ-GOSISDBHSA-N 453.033 2.902 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300500544 BCMLFQIAIXYYCC-UHOSZYNNSA-N 450.630 2.618 30 10 JFEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300635482 OEDUQIZWLZYXEN-UHFFFAOYSA-N 455.559 2.653 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)NC(C)(C)C 1300650612 USSIKKKWXFZLIX-UHFFFAOYSA-N 454.575 2.538 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1300698687 YINQGZZYZVWGNK-QFIPXVFZSA-N 465.602 2.853 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1300731314 NVNLMWPKHPVZHM-OFNKIYASSA-N 481.597 2.647 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1300751640 NCLHEKXPAZWZOO-UHFFFAOYSA-N 484.626 2.713 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300786182 FDWQEFBCUWBXAL-VLCRHTCISA-N 485.551 2.574 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300928668 LKWLMBMRTONWBH-ZWKOTPCHSA-N 456.566 2.922 30 10 JFEE COC[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1300984588 FRTAMLMGZWDONJ-QGZVFWFLSA-N 497.600 2.889 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](OC)C(C)(C)C1 1300989273 NKGQLJNJMWMJTO-FQEVSTJZSA-N 455.607 2.906 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1301085458 KMZKDCCTKJSQOL-SFHVURJKSA-N 476.599 2.801 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1)c1ccccc1 1301166159 QNFYTAZROKGPRG-CTNGQTDRSA-N 459.616 2.960 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1301518216 HDBRFAQVXQCZGH-JTSKRJEESA-N 458.588 2.631 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1 1301529933 OEBZVKZXSWHSOP-OAQYLSRUSA-N 469.586 2.757 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1301556967 KYNADJOWRMKCRP-ROUUACIJSA-N 463.579 2.595 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCCS1(=O)=O 1301959485 HJVZKCTUHPDDPM-SFHVURJKSA-N 484.582 2.748 30 10 JFEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CO)(CO)C1 1303467267 VFGXNOCKUDEMSR-HSZRJFAPSA-N 450.535 2.673 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 1310132718 VYUONYPEGSDSTI-NRFANRHFSA-N 456.568 2.758 30 10 JFEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 1325682932 CMNXBAHJJCGPGO-UHFFFAOYSA-N 465.534 2.692 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358958208 JPPRYFXKQHFWLG-DHIUTWEWSA-N 482.654 2.810 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1358959267 FQDLDAPJKDBSQQ-HXUWFJFHSA-N 467.595 2.937 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358964524 AMTRPVGUAZBHRD-INIZCTEOSA-N 461.638 2.624 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359001306 QADSQTRIXDDWNI-VQTJNVASSA-N 459.616 2.776 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)SC 1359015540 XEKNAQNWFVBCMH-HNNXBMFYSA-N 453.609 2.809 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(OC)nc1 1359024014 CRGIMSZTQAWMLP-UHFFFAOYSA-N 484.601 2.931 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1359039386 GPPUVXCGDHKTHN-QHCPKHFHSA-N 481.714 2.660 30 10 JFEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1359132142 OJSBBHMHBSMFCA-UHFFFAOYSA-N 477.491 2.871 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](COC)C1 1359293143 IMMOHYANOKMDAL-SFHVURJKSA-N 468.583 2.531 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359297170 HXRFYVQXFWTEOX-KRWDZBQOSA-N 454.966 2.951 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1359298575 DVZBDOKHFDASLG-UHFFFAOYSA-N 474.569 2.668 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1359326617 FKYQMQPFGIPEEK-LJQANCHMSA-N 461.563 2.596 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359330221 LCHFMWBRPIKUMA-UHFFFAOYSA-N 486.598 2.804 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2C)C1 1359334679 NSJSAIZFTLCNCO-QFIPXVFZSA-N 484.626 2.627 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1359336962 GUAGFBDJFSNMJT-QAPCUYQASA-N 469.608 2.525 30 10 JFEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1359341168 OBSUMUVKYFJTLM-HOTGVXAUSA-N 450.634 2.771 30 10 JFEE C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1360562650 FDOFJBNZROQLEL-HOYKHHGWSA-N 491.612 2.555 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)ccc1F 1456797090 CNSKOIGWYCOPPY-UHFFFAOYSA-N 458.471 2.622 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccc(C)c1 1507539793 XTBHPDCUHFXBOU-CTNGQTDRSA-N 496.612 2.783 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(OC)CCC(C)CC2)c1 1507550880 RERNLZMRIUZUJW-DRMRFRMASA-N 478.597 2.881 30 10 JFEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507593605 CXPJFUFHBDPKSA-QFIPXVFZSA-N 456.660 2.575 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCC(OC)CC2)CCCC1 1507606387 KMOOWSXPZCUOFZ-UHFFFAOYSA-N 485.654 2.842 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507670504 NYGLNBKYGNPUDW-ZEQRLZLVSA-N 479.650 2.844 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2c(C)noc2C)CC1 1507718595 QVUJCGYXRFNMAI-UHFFFAOYSA-N 458.364 2.638 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 1507719675 POMPLAGLNXAYNR-JOCHJYFZSA-N 479.503 2.632 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1507734275 KKOVAMWBUAUKBQ-RDJZCZTQSA-N 489.418 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCSC2)CC1 1507740587 NWCOORWCPNSHRC-QGZVFWFLSA-N 457.575 2.715 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1507740824 FXMJXOLTAXLCPS-FQEVSTJZSA-N 482.654 2.772 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507796750 JKSTZOCLGIWKOT-JYWFKMLOSA-N 476.599 2.641 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507895580 AIPNZBUMHVBDHZ-JKSUJKDBSA-N 470.640 2.546 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1507970689 DRCFKQDHEXYMBW-GOSISDBHSA-N 469.977 2.884 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCS(=O)(=O)C1 1507999125 LMOAHIKTFUMRGH-QFIPXVFZSA-N 462.579 2.763 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1508041767 UDSXYGGDWDBWCB-VQTJNVASSA-N 479.629 2.951 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C)=C(Br)C1 1508079429 VJIRULANPXFMEK-UHFFFAOYSA-N 460.332 2.855 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1509846519 FRGSWNCKYXNDHD-QPPBQGQZSA-N 455.559 2.520 30 10 JFEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1514314749 GVUGWUYOFGIHGG-FXAWDEMLSA-N 461.574 2.515 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1515233424 CZKIGNMPZQUOHE-ICSRJNTNSA-N 486.642 2.930 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2cnn(-c3ccccc3)c2I)n1 1531364374 YUIZMAGNWYWELI-UHFFFAOYSA-N 459.291 2.969 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1539002291 CDYMTRUUXIBNLE-VQIMIIECSA-N 461.570 2.609 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CN2CCOCC2)CCCCC1 1539154103 GTPDFYIOPVKSOI-UHFFFAOYSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539201682 BTGURZPJHKCRBD-GGAORHGYSA-N 485.654 2.874 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539215764 IHRQZRLBTGQDCO-CTNGQTDRSA-N 459.616 2.726 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539220424 SDGYVUZORPHADF-OAQYLSRUSA-N 491.702 2.529 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1539311317 IFSLMUXNUXXEBV-DEOSSOPVSA-N 453.587 2.755 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCOCC)CC1 1539460096 WDQYSOHJRHSHME-UHFFFAOYSA-N 462.392 2.801 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC2(C)C)CC1 1539474068 ISAWYBKAYIQORS-GOSISDBHSA-N 451.571 2.974 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1OC 1539496190 DSADEKOVOYUCAY-AEFFLSMTSA-N 463.629 2.605 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1539500105 SWARWIKGSHBXEC-UNMCSNQZSA-N 450.612 2.730 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1539623374 MHYFYIRFYXYHIM-MMOPVJDHSA-N 476.599 2.914 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1)c1ccccc1 1539946438 BFJRZSWWHCIHLD-LEWJYISDSA-N 487.626 2.819 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1540059005 LDRIRTRHUZJVTO-FXAWDEMLSA-N 475.615 2.789 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540126173 GTDBJKGAWPKZOA-OALUTQOASA-N 478.519 2.685 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1([S@@](C)=O)CCC1 1540191509 MWBWHFFKMNPVGE-MUUNZHRXSA-N 470.437 2.986 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC=C)Cc1cccs1 1540869215 FPOYSTTUNWFMQV-UHFFFAOYSA-N 475.578 2.748 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCN(C(C)=O)CC2)C1 1540883769 DZGPBCMJWMSOJK-LADGPHEKSA-N 496.656 2.980 30 10 JFEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1541595766 CEBSITHQFDBIOE-JOCHJYFZSA-N 498.653 2.867 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C)CCOCC1 1541670797 FDMAOYVSXCQMHP-UHFFFAOYSA-N 479.629 2.817 30 10 JFEE CCN(CC)CCOc1ccccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1542522375 HQQUJZDEDGFMIY-KRWDZBQOSA-N 458.584 2.863 30 10 JFEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1542980591 FJRYGWGMDVFFQD-UHFFFAOYSA-N 462.558 2.937 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C[C@]2(CCOC2)O1 1545057675 ADFJYBIZFAMAAN-DFBJGRDBSA-N 468.602 2.701 30 10 JFEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)OC 1545798227 HPUAVEMNLWENLP-RTWAWAEBSA-N 454.575 2.609 30 10 JFEE CCc1nnc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c(C#N)c1CC 1559131634 FEDSZOZMGOCNCG-UHFFFAOYSA-N 457.376 2.996 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3OCC)C[C@@H]2C)cc1 1568006695 XLLYNJHRMNIGOR-IBGZPJMESA-N 457.596 2.896 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 1587504472 AIMQNABCAAWIGV-GOSISDBHSA-N 457.527 2.899 30 10 JFEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CC2=O)cc1Cl 1587766969 CDUZEAOALICURT-MRXNPFEDSA-N 451.889 2.924 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NCCCC)CC1 1587847835 UFEHKVCRYYVFOG-UHFFFAOYSA-N 485.658 2.784 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccnc1N1CCOCC1 1587985135 UENXYBQGNBJNJO-FQEVSTJZSA-N 495.628 2.742 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1588045826 RFSKWXPUGFPJOG-HSZRJFAPSA-N 480.638 2.565 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccsc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588050583 SUUQVTIOHFTTTA-CTNGQTDRSA-N 499.666 2.506 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CN(CC(C)C)CCO1 1588189015 AKIOFDVXQGKLBV-XMMPIXPASA-N 465.598 2.782 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCC[C@H](C)C1 1588218790 CELPKYYSMFZZAA-IBGZPJMESA-N 450.587 2.979 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1csc(CC)n1 1588229591 YRCDLDMNSRWBPL-UHFFFAOYSA-N 460.611 2.982 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1588310168 SGVKJDUMOZUBHR-UHFFFAOYSA-N 471.565 2.925 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)(F)F 1589198649 ZEASONPEWQLNND-OAQYLSRUSA-N 457.460 2.801 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1589529361 NAFKJNHZXWUVRW-HTAPYJJXSA-N 493.612 2.524 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](COC)C1 1589570559 VMLFZVMDZMWWNQ-AAIMPIBUSA-N 458.559 2.699 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCN(S(C)(=O)=O)CC1 1593600630 WTMMWRSSJCAVTB-UHFFFAOYSA-N 472.384 2.895 30 10 JFEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593924054 WJQFYSYQAKJTLV-QHCPKHFHSA-N 472.977 2.987 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)NC(C)C)C1 1595688393 IHCVAMTVDYMUCE-SFHVURJKSA-N 498.447 2.817 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCCCO2)CC1 1615837576 FYYYMMFOOCYJDW-REWPJTCUSA-N 451.619 2.848 30 10 JFEE COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1616583115 DFFYELUHFDKGGB-TZIWHRDSSA-N 456.518 2.755 30 10 JFEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 1617893072 CWJOGMLJFHFDCC-AWEZNQCLSA-N 458.609 2.744 30 10 JFEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CCCC1 1618264070 AFUFGJFBOBRGLL-NRFANRHFSA-N 456.616 2.705 30 10 JFEE C#CCN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1620579934 FNQHCUBZXSPADC-NRFANRHFSA-N 454.615 2.964 30 10 JFEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1629599764 LRLQVWLECWGGRK-UXHICEINSA-N 450.624 2.781 30 10 JFEE CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)cc1 1666034203 HCCVPJKVZGRNPV-UHFFFAOYSA-N 453.630 2.920 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CCN(C3CCOCC3)CC2)cc1 1673392556 GRXISFDDLFGDTC-UHFFFAOYSA-N 450.605 2.506 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1673398590 NFTGRAYXZCPGKH-WOVMCDHWSA-N 452.577 2.918 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)CC2)c1C#N 1676744105 DXZVUKLFPYIMEM-UHFFFAOYSA-N 456.913 2.992 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cccc(C)n1 1689835340 KQTSYVVZMQUUTO-LJQANCHMSA-N 466.611 2.990 30 10 JFEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCS(=O)(=O)CC1 1689948968 LVJWGZSCTOWNFA-UHFFFAOYSA-N 465.000 2.822 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1689993631 ITCGZAQFJPPSAP-GOSISDBHSA-N 473.649 2.722 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690165746 IXEAVXPYUUGJPR-UHFFFAOYSA-N 487.589 2.725 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690170460 JPIOQDAUKJSUAL-RBUKOAKNSA-N 496.637 2.672 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1690252188 ASIWXJZLICAIQF-SVMVAKDDSA-N 456.543 2.846 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1690308386 MISGFJCTDUDJIG-UHFFFAOYSA-N 475.597 2.999 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1690346096 KTGGBNFCVCYOTC-HKUYNNGSSA-N 466.991 2.737 30 10 JFEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1690350894 ACJOOAHLSATEKB-UHFFFAOYSA-N 460.941 2.691 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C[C@H]1CCOC1)C1CC1 1690671206 QVUUDQVXFPZLSK-GOSISDBHSA-N 488.633 2.700 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CSCCS2)C1 1690688678 ZECZHKCBIJSRDX-LQWHRVPQSA-N 454.662 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1690722253 CAZLQKKSNZSQJN-UHFFFAOYSA-N 454.600 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2cc(OC)c(C)cc2C1 1690725580 VFMGOFLVGINWKK-UHFFFAOYSA-N 467.595 2.744 30 10 JFEE CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1691030207 CIFRAMONPHFNAJ-IBGZPJMESA-N 498.653 2.773 30 10 JFEE COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1697915871 ALCKBHSENSKEFR-LJQANCHMSA-N 474.631 2.645 30 10 JFEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NCC)CC1 1705509024 BEGWLINREGFSFB-UHFFFAOYSA-N 479.448 2.831 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705566118 YJCZSCRQZCQLPC-MRXNPFEDSA-N 487.523 2.595 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1705567869 BEHDIDZFADQVOE-RBUKOAKNSA-N 489.548 2.791 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705571835 JHUDCGGSHKZDCH-MRXNPFEDSA-N 489.648 2.711 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCCN2CC)CC1 1705642674 DLTVGLGJFBDDKA-QFIPXVFZSA-N 466.630 2.885 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705656297 XYULRPRFNBXTOH-OAHLLOKOSA-N 497.543 2.834 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCCS(C)(=O)=O 1705682583 FCEQMRKQJZPFFS-UHFFFAOYSA-N 473.393 2.742 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705722736 FWSAURQFVAUYOJ-UHFFFAOYSA-N 476.423 2.746 30 10 JFEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705758835 FIXTWORIMLZRRP-KRWDZBQOSA-N 453.996 2.744 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1(C(N)=O)CCOCC1 1705860937 QZBJYQVVTJKNLB-UHFFFAOYSA-N 471.565 2.610 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C(=O)OC)CC1 1705906330 AMPFRSHXDNNWEB-UHFFFAOYSA-N 469.586 2.981 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(C)(C)O)c2)C1 1705916490 LDZQJWGGJBZVAN-PXDATVDWSA-N 456.587 2.987 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)C(C)(C)C)C1 1705924987 IVOFUZDJNHSCKF-XLIONFOSSA-N 455.559 2.734 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1705927356 WUQKTBBYURWSCE-LJQANCHMSA-N 473.624 2.867 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1705934502 OBBGVOADQXEBGN-PMACEKPBSA-N 473.599 2.570 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705940085 VDLHTIRLOVCHBN-LJQANCHMSA-N 469.615 2.622 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705946547 KJGDYXWUIXLSSY-SQNIBIBYSA-N 467.636 2.713 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)cc1OC 1711756505 HFTLNPWXHQXKDI-GGUMNFRJSA-N 472.565 2.904 30 10 JFEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722312456 CDHOUGZJJBFUIH-SZPZYZBQSA-N 463.630 2.770 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722323005 ALWLLPGQMLVFOB-QGZVFWFLSA-N 463.579 2.879 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722349662 WPFGKCNXSJABAR-UHFFFAOYSA-N 480.569 2.677 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1c(F)cccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722359090 PVKXUZIVUUOSPP-GOSISDBHSA-N 459.591 2.816 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1722360035 RGFHCVFHKDFKOW-WMZOPIPTSA-N 480.537 2.600 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722360831 WKSBDVDAGTYOIG-GHTZIAJQSA-N 476.046 2.957 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(N2CCOCC2)CC(OCC)C1 1722407833 UHJOHGCLLBSOSB-UHFFFAOYSA-N 458.994 2.723 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCN2CCCCC2)CC1 1722435591 LIIIBWDRPDQKIG-UHFFFAOYSA-N 466.630 2.984 30 10 JFEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722463382 AGWKGGYLMJFTIA-GOSISDBHSA-N 480.059 2.932 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722476210 PAJQUTWZMGAKSI-LJQANCHMSA-N 469.899 2.847 30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCCN(c2nc(C)ns2)CC1 1722534150 KZTOOSRGJFJDRR-UHFFFAOYSA-N 454.604 2.733 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)(F)F)CC1 1722575371 GVBABFQHCWXZJP-UHFFFAOYSA-N 451.449 2.797 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722579620 AULDQQKMHUPDIJ-IBGZPJMESA-N 480.679 2.803 30 10 JFEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O)C1CC1 1722645341 JIJHIIBENCEUAH-UHFFFAOYSA-N 458.357 2.551 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(F)(F)F)CC1 1722698658 JSXBTPJRYXJQLM-QGZVFWFLSA-N 451.449 2.872 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cc(CO)nn2)C1 1722716116 SWTIBZCWTVRCTQ-LJQANCHMSA-N 488.390 2.663 30 10 JFEE 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30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1740960763 ZWMVFGRQBVVHIR-RTWAWAEBSA-N 495.628 2.821 30 10 JFEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1740960968 HUPCOZUSFUFZAV-HNNXBMFYSA-N 456.538 2.614 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1740965605 CNJABZFTFIIPOL-UHFFFAOYSA-N 451.527 2.755 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1741686458 FQXMPIKFYBOPMU-UHFFFAOYSA-N 459.558 2.602 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)C 1743944544 CEODTCBNOGYQMU-OAQYLSRUSA-N 458.570 2.501 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC[S@](=O)C(C)(C)C)c1 1748694341 FGGDIHWOUKWMQB-UMSFTDKQSA-N 478.622 2.867 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748811391 FVJLVVPVIWUROX-KNQAVFIVSA-N 479.606 2.854 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1748817626 NHXYJFWYKQAZTK-CVEARBPZSA-N 469.032 2.756 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1748819670 RGEIVPQXUPPCHI-FQEVSTJZSA-N 473.599 2.642 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCCN1CCN(CC)CC1 1748837274 AGHHCXPNHFZDHD-UHFFFAOYSA-N 469.431 2.808 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCC2)CC1 1749004810 NIJCZOVQQKFETL-GOSISDBHSA-N 469.561 2.828 30 10 JFEE C#CCSCCn1c(C(C)C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1749022338 IAKCWTYURMFYBD-IAGOWNOFSA-N 465.620 2.518 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](CC)C1 1749033155 YYORQURRZMQNQR-INIZCTEOSA-N 464.686 2.936 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1749039695 ZFFODSJAXZOIPC-LEWJYISDSA-N 479.716 2.639 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1749083402 GHXHRZWZVDGLAZ-UHFFFAOYSA-N 462.274 2.560 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749092001 LDIADCWNIYNLSC-HXUWFJFHSA-N 462.348 2.587 30 10 JFEE 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2.519 30 10 JFEE C=CCN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)Cc1cccc([N+](=O)[O-])c1 553606833 QVFDZQWLESNOKD-UHFFFAOYSA-N 450.539 2.862 30 10 JFEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cc(C)cc(C)c1 603787621 AZGWMBBTXXZAHF-UHFFFAOYSA-N 461.587 2.562 30 10 JFEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1NC(=O)CN1CCCCC1 609255795 LQLSKMPPYGNGLT-UHFFFAOYSA-N 451.502 2.685 30 10 JFEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)[C@@H]1CCS(=O)(=O)C1 729330965 JSMTXSHUDHSWAI-LJQANCHMSA-N 480.995 2.712 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 745058732 OCDIGXAMZBBTNH-UHFFFAOYSA-N 463.487 2.583 30 10 JFEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(C(=O)O)CCOC1 757215050 YUMVLPNHCRGHCM-GJZUVCINSA-N 462.502 2.667 30 10 JFEE CC(=NNc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1N)c1ccccn1 1084149911 RXJVIZMLMMNTTO-UHFFFAOYSA-N 450.450 2.973 30 10 JFEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)c3ccc(Br)cc3)n2N)cc1 1084175078 OWOMUXYYQALFEM-UHFFFAOYSA-N 489.355 2.962 30 10 JFEE 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CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1710992065 CLFKWFKIXCUSHV-IIBYNOLFSA-N 454.535 2.732 30 10 JFEE C#CCCCCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1722323017 QBYRIEUFRNJFAD-VWLOTQADSA-N 469.561 2.722 30 10 JFEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1csc(CCc2ccccc2)n1 1722385647 NCXBQBJBRDZHGO-UHFFFAOYSA-N 458.591 2.763 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H](c1ccccc1)N1CCOCC1 1722399753 SDWOXPFXNRAQIG-RUZDIDTESA-N 454.578 2.800 30 10 JFEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCOCC2)nc1 1722414493 YLXXYBOAMZORLE-UHFFFAOYSA-N 452.509 2.887 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(C)c1C 1722418364 NZRGUZALMPPLJR-DEOSSOPVSA-N 452.534 2.799 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCOC2CCOCC2)CC1 1722442277 YALKCSSPVDHZNN-UHFFFAOYSA-N 467.614 2.815 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722444611 LJYXITIKDSFZEH-LEDOBFOHSA-N 499.587 2.575 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722444765 FMRMLVQBLRBBKV-UHFFFAOYSA-N 491.596 2.649 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)cc(OC)c2)CC1 1722447731 MYIJUOQILNTEKH-OAQYLSRUSA-N 451.571 2.503 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722502351 SBKRTMOIQDGBLX-BJLQDIEVSA-N 465.595 2.526 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722505862 AZKLJUSYOJKYNP-NQIIRXRSSA-N 479.672 2.772 30 10 JFEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722597513 NOCNFEKELNXFTL-UHFFFAOYSA-N 468.558 2.839 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1722698995 QFZHADVUYVBCRE-QRVBRYPASA-N 476.622 2.904 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2(C(N)=O)CCOCC2)C1 1722713967 FEUHKMAKIXOMEX-INIZCTEOSA-N 490.402 2.771 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1722724180 PFLFBMFTUNDXFV-HZPDHXFCSA-N 482.990 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1722729311 IYPOMSAHIZAGTL-UHFFFAOYSA-N 492.605 2.784 30 10 JFEE Cc1ccc(C(=O)NCCn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1F 1724249552 AKRQSRKTSVIFAP-UHFFFAOYSA-N 490.587 2.947 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)n1 1730649646 GNCAZJLPVCGZLN-LPHOPBHVSA-N 451.531 2.698 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@H]2C(=C)C)c1 1740563250 RNBAYWMJONLENZ-XXBNENTESA-N 459.554 2.716 30 10 JFEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740588829 ZWMXETCLAZFHGV-UHFFFAOYSA-N 459.598 2.801 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(Br)n1 1740637160 RZMUGXRRRKTNLV-UHFFFAOYSA-N 498.410 2.517 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1Cc2ccccc2O1 1740639730 FFLHIDCGVBVOBY-RTWAWAEBSA-N 477.565 2.663 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)c1ccccc1 1740679693 HCDAXPXASHNRCY-VWLOTQADSA-N 496.637 2.540 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740680405 AGUJCZAOICBTSL-FPOVZHCZSA-N 492.045 2.889 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN(C)CC(F)(F)F)CC1 1740698200 UOKOFMJUUUEPAR-UHFFFAOYSA-N 450.509 2.593 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1 1740710155 VRTJNHIGUTWVMY-UHFFFAOYSA-N 457.991 2.598 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1740737301 HGCFHCKKDHAYNM-MRXNPFEDSA-N 481.439 2.800 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740795680 AIISFHPIRMCSJJ-LJQANCHMSA-N 476.622 2.686 30 10 JFEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1)c1ccccc1 1740802593 NVPNUGKTEVKWAF-OAQYLSRUSA-N 474.627 2.916 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740866197 ZGSXZVXLZFAESK-KURKYZTESA-N 467.636 2.886 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740871186 SYPZOUXFASPDIB-KRWDZBQOSA-N 480.660 2.526 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC(C)(C)[C@@H]2C)cc1 1740965038 CNGNOOZTHGDCTK-SJORKVTESA-N 463.604 2.505 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740966347 XXIHDEUGSLFDNA-SQJMNOBHSA-N 453.587 2.690 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[C@@H](OC)C(F)(F)F)C1 1740976196 UMFJODBQGABLAG-ZWKOTPCHSA-N 478.479 2.670 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@H](C)N(C)C)C1 1740981708 WTRCYOBOMZNDBR-MOPGFXCFSA-N 465.602 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1740991213 QUQISPLEWZIENM-LEWJYISDSA-N 460.600 2.916 30 10 JFEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1741000731 FMYXWDZASCOLIQ-PMACEKPBSA-N 462.664 2.572 30 10 JFEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1741004248 UTNQAWLZJXCYCW-WIYYLYMNSA-N 474.700 2.838 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1741879924 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2282838985 XEGZEKBGVDBTNB-QGZVFWFLSA-N 480.436 2.924 30 10 JFEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2282841340 NMXAERKFKNWBEK-UHFFFAOYSA-N 480.436 2.805 30 10 JFEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2283942925 QNUZWCYVQFIBSJ-IBGZPJMESA-N 460.380 2.580 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2283943429 YZKSPRXTYPKZRM-IBGZPJMESA-N 460.380 2.580 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2283962516 FQCLOWBPZMUDCR-XJKSGUPXSA-N 481.786 2.903 30 10 JFEE Cc1nc(NC(=O)[C@@]23C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2283969407 PIVJVTIJXJFIEO-GGOJBBCOSA-N 458.368 2.716 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c2ccccc21 2283977168 MNGISZDJYWOXNZ-CQSZACIVSA-N 472.376 2.737 30 10 JFEE COc1ccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c(B2OC(C)(C)C(C)(C)O2)c1 2283980818 FBBALSWHLQKADJ-HSZRJFAPSA-N 462.352 2.617 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2284054194 ZGKBIKJPIUCYBP-HSZRJFAPSA-N 480.436 2.768 30 10 JFEE CC(C)(C)OC(=O)NCC1CCC(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2284062094 ILLTYLNNSCTOIQ-UHFFFAOYSA-N 480.440 2.919 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2284122103 JZVDSUVLUQDYQM-HOCLYGCPSA-N 481.424 2.521 30 10 JFEE COc1ccc([C@H]2C(=C(O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296923914 GGMRGUCAWXGHEB-IBGZPJMESA-N 457.552 2.522 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 2297650935 WORYJVGHJBJNMH-RTBURBONSA-N 488.514 2.661 30 10 JFEE CCN(CC)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1 2324194818 ZJJDARJBZMPEOY-UHFFFAOYSA-N 451.567 2.965 30 10 JFEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(N(C)C)cc1 2331310734 BYSVIXNMHNGOLH-UHFFFAOYSA-N 452.584 2.824 30 10 JFEE C[C@H](NC(=O)[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2334388017 ACPBAMSNWCSQER-DARAHFNDSA-N 463.409 2.875 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339448807 WFAJUYBZWOQJDN-OLZOCXBDSA-N 452.332 2.862 30 10 JFEE C[C@@H](C#CC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1)NC(=O)OC(C)(C)C 2341218690 GINJPZOLXQNUQA-HNNXBMFYSA-N 460.405 2.849 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(F)c(B3OC(C)(C)C(C)(C)O3)c(F)c2)C[C@H](O)C1 2366877412 UFNZLYUOTUPYKM-NHPVSCMHSA-N 468.306 2.621 30 10 JFEE Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2381161315 OLTAUSCRXVZBPL-GOEBONIOSA-N 464.343 2.742 30 10 JFEE Cc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Br)cc3)n2)s1 20833763 DSIBMYZOZZQQLF-OMCISZLKSA-N 453.351 2.904 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN([C@H](C)c4ccccc4)CC3)cc2C1=O 24416421 BNRNJOOGCKVKBK-GOSISDBHSA-N 461.518 2.531 30 10 JFEE C=CCCOc1ccc(-c2nnc(CCC(=O)N3CCC(C(=O)OCC)CC3)c(O)n2)cc1OC 34767443 UJGUFBZCXQRUOW-UHFFFAOYSA-N 484.553 2.942 30 10 JFEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)c3ccc(Br)cc3)n2N)cn1 59830074 PXUQOTIBLIDIRB-DNTJNYDQSA-N 461.349 2.558 30 10 JFEE Cc1ccc(S(=O)(=O)/N=C(\O)N2CCN(CCc3nnc(-c4ccccc4)o3)CC2)cc1 62691791 RHLYICCTEQXQNV-UHFFFAOYSA-N 455.540 2.508 30 10 JFEE C=CCOc1ccccc1[C@H]1c2c(nc(NCc3ccc4c(c3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N 72472591 MSNCQAASQSECAK-DYESRHJHSA-N 485.500 2.942 30 10 JFEE CCOc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN(C)C)ccc1O 169974091 VFFNNAZUESQTCG-FQEVSTJZSA-N 455.467 2.839 30 10 JFEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)c1nc(C(=O)OCC)cs1 409834851 XWSUSFGDQGRGTN-IYBDPMFKSA-N 493.607 2.951 30 10 JFEE C=CCOc1ccc(N[C@@H](C)C(=O)c2ccc3c(c2)N(CC=C)C(=O)CO3)cc1-n1cnnn1 586323173 XELZKSUQJDKFKC-INIZCTEOSA-N 460.494 2.822 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1-c1ccccc1C#N 604001441 FCTACICWDQCAEV-UHFFFAOYSA-N 480.471 2.595 30 10 JFEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccc(OC)cc3)n2)s1 1084186949 CSYAWDXAAKOGBZ-UHFFFAOYSA-N 494.628 2.970 30 10 JFEE CCN(C)C(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084222172 OHFRLWJYFVREHM-QGZVFWFLSA-N 497.629 2.540 30 10 JFEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1233851042 FJMKECZJUVZSDO-HZPDHXFCSA-N 453.584 2.938 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286382714 BILBIXIOPAVKBZ-FCHUYYIVSA-N 479.606 2.899 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286384834 TZTPCGWLMJYDCW-LSDHHAIUSA-N 499.456 2.822 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1286385549 NZCFGJXIKMIRID-PXNSSMCTSA-N 499.568 2.636 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286398000 FTGIEEOGMVMXKW-JOCHJYFZSA-N 497.607 2.721 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCC[C@@H]1C 1286414046 QZVJQQALNGUPLI-LEWJYISDSA-N 454.619 2.950 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN2CCOC(C)(C)C2)CC1 1286474217 FISVZPWCVXOQCO-UHFFFAOYSA-N 496.656 2.607 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CC(OCC)C2)CC1 1286486924 IKEFJOWQIJBBNW-UHFFFAOYSA-N 489.979 2.633 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC(C)C)CC1 1286516183 CZFUXAFUJJATJM-WMZHIEFXSA-N 464.680 2.639 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1286528243 SJFQRVOQFBPTRQ-MHECFPHRSA-N 458.607 2.942 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286541946 GKDDTWFYJJIXKX-INIZCTEOSA-N 497.463 2.725 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1 1286556602 QGOCGPAQUSVUTJ-BDTNDASRSA-N 489.642 2.619 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1286608093 XTWXVEXAGAHTLM-UHFFFAOYSA-N 455.538 2.746 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCS(=O)(=O)NC)CC1 1286647950 ARNJVUGGDKRONK-UHFFFAOYSA-N 460.387 2.870 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286707400 ZHIGROHNZDBNEV-UHFFFAOYSA-N 481.601 2.747 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1286781510 ZXWUPRWJUDNPAU-FQEVSTJZSA-N 490.612 2.762 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1286823332 MCDPCBPYGJELCL-UHFFFAOYSA-N 470.628 2.936 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1287604977 AIHDSLFMRIALAC-QFIPXVFZSA-N 482.585 2.806 30 10 JFEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1291950924 AYZDYZOFXPIMQE-GOTSBHOMSA-N 463.586 2.683 30 10 JFEE C#C[C@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1 1298539261 QVSGLHDXWADMJM-IBGZPJMESA-N 455.356 2.764 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCN2CCC(C)CC2)c1 1300336251 ALURXBRJXNLBKV-UHFFFAOYSA-N 491.640 2.579 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1300503809 FWZWGKICUXGTNA-GOSISDBHSA-N 462.641 2.931 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)CN2CCCC2)CC1 1300685127 HAKWGLQWYVNYLD-UHFFFAOYSA-N 488.478 2.923 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(=O)NCCC)CC1 1300685570 QINSFLAITAJHJK-UHFFFAOYSA-N 463.611 2.658 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OCCN(C)C)cc2)CC1 1300711620 FHDDJLTUXMHKAZ-UHFFFAOYSA-N 466.630 2.530 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@](C)(O)c2cccs2)CC1 1300718280 IMKRBEZYEVLVMH-QHCPKHFHSA-N 453.568 2.782 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300779636 CEJJASFIBALPNE-PMAPCBKXSA-N 475.590 2.831 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCc1ccccn1 1300848295 CPDOPCJPBPPJRB-HNNXBMFYSA-N 454.394 2.553 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnccn2)CC1 1300980666 LBVMCQKHFJAGGJ-UHFFFAOYSA-N 465.558 2.672 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301061356 SNCIFJYRCUVRAJ-QPPBQGQZSA-N 476.021 2.927 30 10 JFEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301181871 COORKDDKSXQORF-JOCHJYFZSA-N 455.651 2.871 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1301259068 GDQQBWIQLCFQGO-UHFFFAOYSA-N 487.004 2.609 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1301349079 KAIWAYIEZZNURV-HXUWFJFHSA-N 466.611 2.882 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301357839 RSROIIDYHSRZAW-NPPFBWRTSA-N 495.671 2.871 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301357840 RSROIIDYHSRZAW-SPEDKVCISA-N 495.671 2.871 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301364854 AROCJHJIMGNJMO-LJQANCHMSA-N 472.640 2.800 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301436222 VSTZGWQPBYTWCR-IBGZPJMESA-N 458.632 2.694 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ncnn1CC(F)F 1301484519 HSJZQVMBOSYBEM-CQSZACIVSA-N 490.584 2.927 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301492179 ZNEXMMHEEBAOQP-PBHICJAKSA-N 460.460 2.952 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1301505851 BKRZYZSYGOAEBZ-UHFFFAOYSA-N 482.604 2.929 30 10 JFEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)NCc1ccc(Cl)cc1 1301520434 GWRYGCJINKYJDM-MRXNPFEDSA-N 490.902 2.684 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301536769 ZWBOTQCUOGXOPS-NBGIEHNGSA-N 469.586 2.634 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301577409 JCYJYEVRWNJKCY-HRAATJIYSA-N 466.991 2.584 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1301611826 HEEYXJGTZFICBY-IBGZPJMESA-N 498.074 2.746 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1301615787 WMNUKBCZJGJYNG-KRWDZBQOSA-N 454.604 2.758 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)OC 1305345101 FCJWMVVJSWWHFN-ORYQWCPZSA-N 451.575 2.918 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)cc1 1310131606 QRDGTAWFMOXYCP-LEWJYISDSA-N 457.552 2.914 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@@H]2C1 1312624917 GCBOKMDXWHDZHE-HKBOAZHASA-N 467.570 2.558 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCc2nnc(C)s2)c1 1358901660 RYBGFPCRKHNACX-UHFFFAOYSA-N 460.567 2.742 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN(C(C)C)C1 1359023773 WAGDEYNWPUAMSX-LJQANCHMSA-N 463.586 2.800 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC(F)(F)CO1 1359065950 IRCNHGFDILIFLC-DYESRHJHSA-N 479.553 2.612 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1359202715 AKLBLCAWZPKGKS-NNWRFLSQSA-N 489.642 2.934 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)c(F)c2)C1 1359320963 YGZHMXVIHUXSJI-ZBFHGGJFSA-N 451.449 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1359331291 ULLGNBIYDPIYFJ-UHFFFAOYSA-N 499.622 2.986 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1359331510 BJHFWUPVBAQCFH-UHFFFAOYSA-N 490.626 2.777 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359335853 WXQDGVFJYHYEKK-XMMPIXPASA-N 487.626 2.971 30 10 JFEE N#Cc1ccc(OCc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCOCC3)o2)cc1 1458702987 DQZGTKOBUNBNPM-HSZRJFAPSA-N 459.502 2.930 30 10 JFEE C=CCN(C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1465087806 DDIBBZZTHYBRGF-MRXNPFEDSA-N 457.980 2.794 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H](C(=O)OC)c2cccc(Br)c2)c1 1473285070 AHXAVAJNNOYETR-IBGZPJMESA-N 458.312 2.925 30 10 JFEE Cc1cc(O)nc(C(C)(C)NCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)n1 1473471190 AWKANZMWASJCPM-MRXNPFEDSA-N 452.559 2.685 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)c3ccc(C)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1507598454 FPIPIEZPAPMDLM-RUZDIDTESA-N 451.571 2.614 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccnc(SC)c1 1507653551 RKPFIFSDFCSFIP-UHFFFAOYSA-N 469.574 2.913 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CCCCC1 1507709832 BNTCPTPBLZQRRL-DEOSSOPVSA-N 488.658 2.656 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1csc(CC)n1 1507711197 PWZJBRGEJGGFNB-GOSISDBHSA-N 490.630 2.740 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1507721279 MJYVWFRENSKGOT-WOJBJXKFSA-N 453.587 2.923 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCCn2ccnc2C)CC1 1507722941 OKXPLRZAHKBIBN-UHFFFAOYSA-N 463.586 2.703 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)c2ccc(OC)cc2)CC1 1507727556 QFWIBABCCHXKPV-UHFFFAOYSA-N 461.614 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=C)Cl)CC1 1507741699 YQCKYJGQCKPCMZ-HDICACEKSA-N 477.009 2.767 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507749044 VHADYESEQKAKGH-UHFFFAOYSA-N 479.566 2.950 30 10 JFEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1507783604 DCUUFIYKBFJHKG-HNNXBMFYSA-N 460.384 2.538 30 10 JFEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507786296 WOMXFAGFUVSDIZ-OAHLLOKOSA-N 451.369 2.611 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508079151 OXAURUYNUODMQO-LJQANCHMSA-N 498.628 2.786 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1508084232 KDJOWJNMMFKAKE-SFTDATJTSA-N 451.619 2.657 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508136433 GNUQDGCAEGJWDX-BBRMVZONSA-N 462.469 2.841 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1510266267 HLTGOYRHKTZDCO-FBBABVLZSA-N 474.993 2.647 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1513167788 BTAKEYIXKSWBMP-GOSISDBHSA-N 473.585 2.547 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCOCC1 1513285863 CJWVFIBWCSPUOH-DHIUTWEWSA-N 479.629 2.655 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(NC(C)=O)nc2)c1 1518045019 DBXDPYXYMWWMBR-HSZRJFAPSA-N 465.489 2.806 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1535429750 IQTGZKCRJSMATF-UHFFFAOYSA-N 450.314 2.691 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cnc2c(Cl)cnn2c1 1538983002 MSQRHDLJBLCUEQ-HNNXBMFYSA-N 483.985 2.745 30 10 JFEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCC(CO)CC2)cc1 1539146155 ZWJRFTAGEQBQJM-UHFFFAOYSA-N 452.603 2.523 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539382416 ICMLIRPEWRZMKG-HNNXBMFYSA-N 486.425 2.905 30 10 JFEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(O)CCO[C@H]2C)CC1 1539454224 JOOLUNXGGHQHCO-NBGIEHNGSA-N 488.032 2.547 30 10 JFEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1539454708 YUWDTHRKVAHJAY-UHFFFAOYSA-N 466.577 2.926 30 10 JFEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1539460175 ZHXIIOVSQJBPAE-IBGZPJMESA-N 451.493 2.888 30 10 JFEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539586064 FMETYYXMLFRWCT-UHFFFAOYSA-N 468.421 2.934 30 10 JFEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540028720 SGAXHJQEZBLGBE-OAQYLSRUSA-N 452.603 2.671 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1540169293 BWTUMLDHTORKQN-OAQYLSRUSA-N 452.584 2.652 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1540886793 JQQJPMHTUCNMIL-YOEHRIQHSA-N 462.913 2.507 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1540903604 DFGZRCDQOOBGNA-NHCUHLMSSA-N 455.559 2.807 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1540903790 GTPZNSJJKLSYOS-IBGZPJMESA-N 484.601 2.719 30 10 JFEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1540912065 LNFLWKWXRQOUGG-JOCHJYFZSA-N 458.563 2.818 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1nccn1C(F)F 1541659764 HPBVZSRXSAFKSU-UHFFFAOYSA-N 484.511 2.976 30 10 JFEE CCC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1 1546153225 HHSJHNJRXHNDNR-DENIHFKCSA-N 454.596 2.738 30 10 JFEE C=CC[C@@]1(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCCN1C(=O)OC(C)(C)C 1546254563 PRECTXPKPYYNRR-DEOSSOPVSA-N 458.559 2.896 30 10 JFEE CCCNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NCCOC 1548379380 PRNYRKAIVALXLU-FQEVSTJZSA-N 495.546 2.978 30 10 JFEE COCCNC(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)N(C)C)CC1 1548400541 BGNPIJLAWKNSLI-VQTJNVASSA-N 495.546 2.786 30 10 JFEE COC[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1555241412 HZPDWWWHTMXIAD-NRFANRHFSA-N 451.619 2.665 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587926882 KWBZXQBBUNYFTA-UHFFFAOYSA-N 472.496 2.871 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1588034097 BAIQWGRFHOZAQO-LJQANCHMSA-N 485.635 2.842 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1588035834 YEOWXPQDPPOIGT-HNNXBMFYSA-N 484.395 2.945 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1588069082 HASUVJKZNYTXDH-GCJKJVERSA-N 478.615 2.909 30 10 JFEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1588843694 DHXMRUHHJKRZGP-GGUMNFRJSA-N 450.535 2.814 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2ccnc2C)CC1 1588907679 DDWYTQTZLXJKKY-UHFFFAOYSA-N 461.570 2.515 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1589134520 MTENNFVZEJYBAS-OKYOBFRVSA-N 479.647 2.718 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1589134542 NPUCWDXENJOLEJ-ZWKOTPCHSA-N 459.620 2.886 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1589305653 UJUNNKRBNHIDEB-OAQYLSRUSA-N 492.374 2.596 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1589528024 CJICGVSGMKMIIJ-LEEZEASISA-N 481.645 2.666 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1589544160 FNSQJAZROLXSIG-MBSDFSHPSA-N 457.550 2.688 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCOCC1 1589657861 MNBBTYGVHBVXJP-UHFFFAOYSA-N 468.650 2.965 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1593717782 KJBFWDCMZKPGAP-KRWDZBQOSA-N 491.522 2.586 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1593746688 LBHWYCVCRMPXMF-FGZHOGPDSA-N 479.691 2.721 30 10 JFEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1593799821 FGSIMUGFEPDSKL-KRWDZBQOSA-N 457.966 2.825 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCCC2)CC1 1594202090 FKRBPPWRRQQVQH-UHFFFAOYSA-N 458.632 2.694 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1594498357 UBEGHNIFZQPVRN-SFHVURJKSA-N 451.593 2.751 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1594545589 UQTSROQOLZAEGR-VQTJNVASSA-N 459.616 2.660 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1595497300 XCEGONWYYRANDO-MSOLQXFVSA-N 454.531 2.799 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1595544462 IKZGRAQIHHNSJI-FUHWJXTLSA-N 487.992 2.725 30 10 JFEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1595602941 VAKIXXPMZLYYPB-UHFFFAOYSA-N 462.520 2.735 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H]2COCCO2)C1 1595679703 AFEWYYROWSESLH-IRXDYDNUSA-N 466.380 2.633 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(N(C)C)CCSC2)C1 1595688454 JKEMRDGFMQZEGQ-WMZHIEFXSA-N 491.683 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCC2)C1 1595766321 ONPAOIIDNSYZFJ-UHFFFAOYSA-N 461.544 2.604 30 10 JFEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1595850637 QMEKZOZECYJZBM-UHFFFAOYSA-N 462.583 2.861 30 10 JFEE CC(C)N(C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1607950668 DQXMEFOOQVBNBO-UHFFFAOYSA-N 462.577 2.941 30 10 JFEE 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C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1C(C)C 1301584483 BDDCXICVOTUXGA-GOSISDBHSA-N 456.572 2.820 30 10 JFEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1315163615 BQGMHORHNQSIAA-QUCCMNQESA-N 454.575 2.752 30 10 JFEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1316422154 GSDRCERANZYYBC-LJQANCHMSA-N 460.629 2.574 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2=CCCCC2)c1 1358901178 BQDSPGKBRDAKOW-GOSISDBHSA-N 484.626 2.835 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1358925354 BQGVVQVNNVVLLV-KRWDZBQOSA-N 485.430 2.910 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CC)CCOCC1 1358991611 IPBPAJIZETZVFF-UHFFFAOYSA-N 458.566 2.862 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)c1ccc(OC)cc1 1358994784 WILQAKPPKQNMJV-PZJWPPBQSA-N 454.596 2.846 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)c1ccccc1 1359021153 DHSBPXJLMQXVCG-UHFFFAOYSA-N 459.959 2.553 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCCN2CCCO)CC1 1359030439 WDOATXVGWPPNLS-BJKOFHAPSA-N 480.657 2.637 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccnc2)CC1 1359042183 VVYZLIBGOMVQQC-UHFFFAOYSA-N 482.386 2.639 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1359042869 XCJRHRGQGBPCNP-QFBILLFUSA-N 456.978 2.632 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1359045244 AIEMWBKUNFWQRO-DEOSSOPVSA-N 492.668 2.906 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 1359058568 IIORVTIFPREXGV-UHFFFAOYSA-N 450.605 2.778 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1359060318 RGFVEJQAKUVWLQ-OAQYLSRUSA-N 477.638 2.995 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359079350 HCMHJGCOJIICAQ-MRXNPFEDSA-N 464.364 2.976 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359097245 MQCGMLOCWBQEHL-QUCCMNQESA-N 451.637 2.777 30 10 JFEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 1359128567 YCHDNFZFTVOKFW-GOSISDBHSA-N 459.616 2.819 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1359272382 QTELISXXZCHYHE-IRXDYDNUSA-N 457.666 2.567 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1360261160 AEFMOXMIXMJEKH-VXKWHMMOSA-N 492.672 2.726 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)cc1 1472272698 HQIGOOZDWPWLFU-UHFFFAOYSA-N 452.558 2.884 30 10 JFEE Cn1cccc1-c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1503669756 FQAUGVWEYTWKBG-UHFFFAOYSA-N 499.616 2.834 30 10 JFEE CO[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1503963908 DTJOEPOCBQGPSK-HTAPYJJXSA-N 453.453 2.894 30 10 JFEE COCCN(C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1504854291 GKNBSBKAKDGNOT-FQEVSTJZSA-N 481.370 2.736 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCC[C@@H]1C 1504872650 GDKCZSZUNSVPOM-DFBJGRDBSA-N 466.586 2.590 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1507521244 WHWQCOCCDLZLJZ-CQSZACIVSA-N 493.406 2.798 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc([C@H]2CCOC2)cn1 1507524925 XBXQBJRNMQXWQJ-MSOLQXFVSA-N 450.543 2.821 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507556190 IUIRJKYNESWGTH-IBGZPJMESA-N 470.021 2.930 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1507599287 NCFQNZWTLHRGHW-RUZDIDTESA-N 467.570 2.802 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCc2cccnc21 1507645034 RCBYSRDRRDMSPU-OAQYLSRUSA-N 459.575 2.937 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCC(=O)N2CCCCCC2)CC1 1507733139 YAPDNXDTOWVWHU-UHFFFAOYSA-N 494.640 2.804 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1CCCO 1507762976 HHZWNYBCNNLOCO-NBGIEHNGSA-N 453.587 2.801 30 10 JFEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507943573 ZZJVGMBWYRCKGS-UHFFFAOYSA-N 468.602 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1508074019 NKTRTRGQRWZPIN-SZNDQCEHSA-N 466.369 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1508142266 RTKPVPMXZUCJQG-FQEVSTJZSA-N 494.061 2.749 30 10 JFEE CC1CCN(c2ccc(Cn3c([C@H]4CCS(=O)(=O)C4)nnc3N(C)[C@@H](C)CC#N)cn2)CC1 1512274177 FBUKDEUJVUWYAE-ICSRJNTNSA-N 471.631 2.598 30 10 JFEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)[C@H](C)c2cccc(C#N)c2)o1 1529379694 DTUWZSYZEHKITO-QAPCUYQASA-N 459.524 2.701 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CC(F)(F)F)CC1 1539003174 MNAODFRPDXCKHV-INIZCTEOSA-N 487.530 2.924 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1Cc1cccnc1N1CCOCC1 1539030724 ATNGJKJWMYBYTB-HXUWFJFHSA-N 476.581 2.994 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1539051674 DKLFDAVXDRWHTJ-UHFFFAOYSA-N 483.642 2.986 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539118736 FAVYWMMFQXTPFH-HOYKHHGWSA-N 472.590 2.837 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1539205389 HNJZWHUQDFTCCZ-IXDOHACOSA-N 480.432 2.890 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539206925 XHDQGJPRZBVNDS-OWCLPIDISA-N 493.427 2.999 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1539225636 PWPMSTDILXNQHI-QFIPXVFZSA-N 479.606 2.728 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)OCCc2sccc21 1539400535 GGWZVJIUVPFXLG-PKTZIBPZSA-N 460.600 2.566 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCO2)CC1 1539470381 NKLFMHGVBUVLQK-KRWDZBQOSA-N 475.391 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCCC2)CC1 1539474353 PVELUUZDNRECNG-UHFFFAOYSA-N 471.989 2.878 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539985278 IHEUCLZJZVMLLJ-SFHVURJKSA-N 458.544 2.584 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C2CCCC2)CC1 1540019766 MRQZOPUUDRRDCL-UHFFFAOYSA-N 453.591 2.973 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1C 1540870118 FNAYIVJMFZEMIE-UHFFFAOYSA-N 460.586 2.699 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1540876596 WGQIVCWSDVTAKX-ICSRJNTNSA-N 498.632 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CCCC2)CC1 1540907442 XDCHYSWXVSTJDO-UHFFFAOYSA-N 457.644 2.729 30 10 JFEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1540912800 IQGIGPKWBRSFTM-UHFFFAOYSA-N 452.588 2.693 30 10 JFEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 1545846160 DWIANTXKYWVXGE-SFHVURJKSA-N 452.462 2.704 30 10 JFEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)n1 1546137681 BBLBGEHKYSOYOK-UHFFFAOYSA-N 451.842 2.593 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(COC)CCC2)CC1 1554437899 HQRFQVGLFUEJJJ-UHFFFAOYSA-N 466.586 2.898 30 10 JFEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1554527588 HYRYGBVSNVHMAQ-UHFFFAOYSA-N 453.453 2.982 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)C1 1554542108 AHPJVYPPXPQZOJ-HXUWFJFHSA-N 452.559 2.604 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)s1 1558183812 ONJQWJFBBPPFEV-YLJYHZDGSA-N 450.582 2.764 30 10 JFEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1559294512 NOVVOGGLYARTCC-CVEARBPZSA-N 456.362 2.543 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1F 1565749598 KGKLNINXTZDCHC-GJZGRUSLSA-N 455.552 2.760 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C(=O)OC(C)(C)C)C1CC1 1587620480 FXZUDZQBDALPDE-HNNXBMFYSA-N 456.547 2.863 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1587894226 QNWLUVQXLDRYDA-VWLOTQADSA-N 457.619 2.963 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588045670 OKATXKXLEDEGEM-VQTJNVASSA-N 473.618 2.831 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1588069047 FZHKZDAHZZBDCS-NRFANRHFSA-N 483.663 2.952 30 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30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1589483226 NKCZKDHKANSVKM-QRFRQXIXSA-N 487.004 2.510 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593677603 FLEKNCXTBZWNMA-QHCPKHFHSA-N 470.599 2.970 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593846194 YATSLANUXUUOJU-UKRRQHHQSA-N 485.766 2.829 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CCCCC1 1594992351 HITVQOFYXXAGNQ-UHFFFAOYSA-N 458.632 2.927 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595490060 LPMMRENGHNAQKO-SFHVURJKSA-N 482.610 2.507 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)cc1 1595614181 PFVVDSUVCBPBGF-PZJWPPBQSA-N 480.613 2.973 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2cnnn2C)C1 1595690018 ZCKCGFMQFNTPSK-INIZCTEOSA-N 474.363 2.674 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCN2CC)C1 1595745878 YJZPYCQIPJRCJL-OALUTQOASA-N 458.632 2.925 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CC(C)(C)OC(=O)N1CC[C@H](CCNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267715840 DJPACLWKUQWOLH-HNNXBMFYSA-N 486.465 2.973 30 10 JFEE C=C(CS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267719953 JZTRRQZTRPJXGX-KKSFZXQISA-N 474.429 2.508 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2268631628 AMHCTDDZRIEVIZ-HNNXBMFYSA-N 466.409 2.608 30 10 JFEE Cc1csc(CNC(=O)[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268700066 USHKIJMTRBOGPF-LSDHHAIUSA-N 466.409 2.512 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C3(CCOCC3)C2)C1 2281276681 NEQRWFHMTJQYHY-JXHCQPQMSA-N 477.602 2.968 30 10 JFEE CN(C[C@@H](O)CN(C)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2281787476 NQQSLAAWTNBNLI-INIZCTEOSA-N 482.814 2.939 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 2281798646 KQZRDVWXQSXGSB-UHFFFAOYSA-N 464.368 2.691 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 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2283943440 ZDHKIFQGEWZJSH-GOEBONIOSA-N 483.440 2.892 30 10 JFEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C 2283970211 LMWXEHIDUUJAIR-FUHWJXTLSA-N 480.436 2.766 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CO1 2283972353 RARAMEOBPYRXQN-CABCVRRESA-N 464.343 2.993 30 10 JFEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 2283977414 OYJSERJDVZLJMZ-IAGOWNOFSA-N 480.436 2.936 30 10 JFEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O 2284056819 OSORKUFNNIHHDW-KRWDZBQOSA-N 464.368 2.597 30 10 JFEE Cc1nc(NC(=O)[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2284145616 ATQVPTKPGPYUIN-JOCHJYFZSA-N 464.347 2.619 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@]2(CCOC2)C1 2284382991 UMHVDVNATWTKHT-WAIKUNEKSA-N 463.359 2.782 30 10 JFEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2289803330 SFTKNFRJZWGLIU-OAHLLOKOSA-N 482.408 2.925 30 10 JFEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)c2C1 2294728541 ABFFCIPTDPJZKB-HALDLXJZSA-N 458.368 2.867 30 10 JFEE COc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2296181603 AVGMVOFDLXNTFT-LJQANCHMSA-N 460.380 2.914 30 10 JFEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)C#Cc1cccc(Br)c1 2296221629 KHGJMOKKVRWNAZ-INIZCTEOSA-N 456.358 2.794 30 10 JFEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315641026 QWGHZQAHKZABEG-ZIAGYGMSSA-N 451.398 2.818 30 10 JFEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(=O)OC)cc1 2329056734 MCTTYCNSPDYPJU-SFHVURJKSA-N 487.582 2.717 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc2c(c1)OCCO2 2330718329 ASKPNQIKHPJOPJ-UHFFFAOYSA-N 494.577 2.915 30 10 JFEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(O)c1 2330730063 HJIDSCYMVDNIIG-UHFFFAOYSA-N 468.539 2.501 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2343817748 PBDRNOGFUJAHFN-HNNXBMFYSA-N 488.843 2.981 30 10 JFEE CN[C@@](C#N)(Cn1c(C)nc(I)c1I)[C@@H]1CC1(F)F 2352291038 RRWHTCQZFJALLU-XVKPBYJWSA-N 492.049 2.538 30 10 JFEE CC(C)[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1Cc1ccccc1 2362348746 BLLQXKMFNIGUBE-FQEVSTJZSA-N 452.408 2.702 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)S(=O)(=O)CC(=O)Nc3ccc(CC)cc3)cc21 19978418 UCTKPBJDBFRMGJ-MRXNPFEDSA-N 470.547 2.785 30 10 JFEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)c1O 20527514 FJFZYOQZYRHCPJ-WYMPLXKRSA-N 480.554 2.561 30 10 JFEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)ccc1O 35004236 GOJRXYIIVZFKHD-JOCHJYFZSA-N 468.506 2.702 30 10 JFEE CCOc1ccccc1[C@H]1c2c(nc(NCc3ccc4c(c3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N 72472383 ZKBVUERNIOGXMV-OXQOHEQNSA-N 473.489 2.776 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2CCN(C)C)cc1O 170111988 PMPKEHSBIAMRPF-OAQYLSRUSA-N 456.495 2.558 30 10 JFEE CC(=O)c1cccc(N2C(=NC(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254331344 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C=CCn1c(S)nc2cc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)ccc2c1=O 915651638 ULXTYTUILSTLET-HOTGVXAUSA-N 465.579 2.810 30 10 JFEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cc(Br)ccc3O)n2N)cc1 1084225920 RCKBYUPXVVMQHN-UHFFFAOYSA-N 492.359 2.645 30 10 JFEE COc1cc(C=NNc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)cc(OC)c1OC 1084556256 MGTYUEYRVDTGRQ-UHFFFAOYSA-N 459.488 2.664 30 10 JFEE COc1cc(C=NNc2nnc(SCC(=O)c3ccc(C)cc3)n2N)cc(OC)c1OC 1084616179 HTKQTRQGMVRNPB-UHFFFAOYSA-N 456.528 2.747 30 10 JFEE Cc1ccc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1B1OC(C)(C)C(C)(C)O1 1139617693 XJBNDJCGZJOEDH-UHFFFAOYSA-N 454.298 2.825 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1170058852 UROLCJVZUMROMJ-BIVLZKPYSA-N 457.493 2.551 30 10 JFEE C#C[C@H](NS(=O)(=O)CCNC(=O)OCc1ccccc1)c1ccc(Br)cc1 1190716040 OZEIEZXKEUNZMG-SFHVURJKSA-N 451.342 2.969 30 10 JFEE C=CCN(C(=O)CN1C[C@H](O)C[C@H]1C(N)=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1196114510 UQMHSTGUQQSPIB-WBMJQRKESA-N 455.367 2.556 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(C)COCCO2)c1 1286309525 LYTFXOYUOXZPNE-DEOSSOPVSA-N 480.956 2.855 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C(=O)OC(C)(C)C 1286376085 FERSBOBFAAVWEQ-GOSISDBHSA-N 492.621 2.913 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1286391314 HEGUFHFXQIQLFP-QFIPXVFZSA-N 498.653 2.779 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286392567 IMASNSIXQNKCRD-RTBURBONSA-N 454.662 2.578 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1286397919 VKZGKGDMLGKKBE-OAHLLOKOSA-N 456.490 2.668 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CNC(=O)OC(C)(C)C 1286402188 BTCIPMNDYLITJO-GOSISDBHSA-N 465.554 2.950 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(Cl)nc1 1286409433 RGIHWKUFHAWPAA-UHFFFAOYSA-N 457.925 2.844 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@H]2C[C@H]2C)n1 1286471108 IQQVWJNPXSXLDR-GIVPXCGWSA-N 499.616 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C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722451478 DEPOGWZDPIUXQU-AWEZNQCLSA-N 477.432 2.897 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1722453531 WLARNCWAXOZCIW-UHFFFAOYSA-N 486.605 2.880 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)N1CCOCC1 1722493342 IYFXHWMRLWWDQY-WIYYLYMNSA-N 491.539 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1722504020 MOPSZNJVGKPGAI-XXBNENTESA-N 468.558 2.969 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1722559228 OTAQCGQKROOEFR-UYAOXDASSA-N 478.663 2.557 30 10 JFEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722602681 BDPRWITXJQYMJT-WWNPGLIZSA-N 458.651 2.907 30 10 JFEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722688036 FLTGQFIOCCZFJN-FGZHOGPDSA-N 466.630 2.978 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1722698608 IPFMLXDBRGLBBO-IAGOWNOFSA-N 474.631 2.806 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722730308 OJDZREZPXHGSLT-NRFANRHFSA-N 488.654 2.804 30 10 JFEE CC(=O)N1CCC(Cn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1722757524 BMBXCZACPQFNPO-UHFFFAOYSA-N 453.566 2.997 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1727094682 GFISJMUYERNGQU-QGZVFWFLSA-N 476.585 2.627 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1728297348 GNKJMGVWPPQKFL-OAQYLSRUSA-N 484.626 2.623 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C1CCCC1 1740539958 SHKKPUQECKYEGB-SFHVURJKSA-N 458.632 2.528 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740567206 OVBANQKHCZDCCS-NRFANRHFSA-N 481.988 2.767 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740617050 KVDYDVHCAJQLBP-LFAGZIFBSA-N 486.638 2.749 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1740620508 PSTAHEPIFCZVLT-INIZCTEOSA-N 499.406 2.900 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1740623809 BEJGVCOXYCGNID-NRFANRHFSA-N 497.646 2.874 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625592 GUQJOHXUTDELBZ-NHCUHLMSSA-N 473.643 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)Nc1ccc(F)cc1 1740654805 QTYNLCQMKSYXSL-UHFFFAOYSA-N 455.497 2.757 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)C1(OC)CCOCC1 1740664309 LWYKLZJCODHWMC-UHFFFAOYSA-N 482.553 2.639 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOc2ccc(Cl)cn2)CC1 1740692353 IOYHWKCCIBQZND-UHFFFAOYSA-N 482.972 2.845 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2COCC)CC1 1740707055 MVSLJBRDFONIET-UHFFFAOYSA-N 472.593 2.815 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740764081 UJSAJOSMUFAEQI-NZQKXSOJSA-N 489.642 2.537 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740789625 HIWUUJSGHSXHPR-HXUWFJFHSA-N 451.980 2.601 30 10 JFEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740863764 FOOQUPHXKXWCBZ-FQEVSTJZSA-N 451.637 2.923 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2Cl)CC1 1740887124 CQJXDGJGGJIDDW-SFHVURJKSA-N 480.034 2.753 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNc1nccc(C(F)(F)F)n1 1740894061 HPXYPNRPGABYNA-UHFFFAOYSA-N 481.504 2.892 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1740913711 GYLTUHCFZRQDEI-UHFFFAOYSA-N 491.640 2.814 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCOCC1 1740919881 VQROJOLXFVGRKW-FQEVSTJZSA-N 470.593 2.814 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1740925285 BAYIFIIFXGXKFF-WIOPSUGQSA-N 454.619 2.978 30 10 JFEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740946062 MFGAGQXVFDOSBA-RBUKOAKNSA-N 493.612 2.789 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740951659 KNNGKMNCNHWJSC-WOJBJXKFSA-N 480.613 2.832 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740962829 PXEJOOQCKXAOJM-NRFANRHFSA-N 463.586 2.857 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccsc2Br)C1 1740980713 MCLJSANSXOBYCF-CABCVRRESA-N 487.445 2.834 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740987068 OMNKEDQNTVZGEP-BGRXAOQBSA-N 478.590 2.755 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCC2(O)CCOCC2)c1 1748694371 GXBLICPAXJONCP-UHFFFAOYSA-N 494.621 2.622 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748699785 SGOOOYOTBSFGDW-IBGZPJMESA-N 484.576 2.534 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 1748817116 FNLAPVFUYLVBJS-IBGZPJMESA-N 475.684 2.613 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@@H]1C(=C)C 1748851794 OALSDQDHUKXJPH-SHQCIBLASA-N 472.637 2.697 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCS1(=O)=O 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AZIOCDWWHYKXDE-NRFANRHFSA-N 489.642 2.584 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1749269280 PATOWISDPQICKZ-KRWDZBQOSA-N 478.018 2.640 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749434431 SLUOMJWMJZVMRB-KRWDZBQOSA-N 477.598 2.613 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749658844 WMFKUNMFCKTTLL-AWEZNQCLSA-N 472.398 2.568 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1749672489 VUMJLOCGROBYRB-HXUWFJFHSA-N 478.641 2.954 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1749755683 JVADAPVPEYDHAJ-IRXDYDNUSA-N 485.676 2.593 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1760112314 DWVDOXCXDUZDST-UFYCRDLUSA-N 460.623 2.571 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 1760126264 SIDGIAUBSDHVMS-NHCUHLMSSA-N 487.608 2.896 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1760164142 KWYPUMBXBBZOCZ-VQIMIIECSA-N 451.493 2.983 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC1CCCCC1 1760176304 GFOOFEYDJPLNCV-UHFFFAOYSA-N 477.657 2.551 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1760183052 LOGCSHBJAMDPHT-IBGZPJMESA-N 470.986 2.566 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760190683 UBZJIGMQYBOYEF-QHCPKHFHSA-N 483.682 2.926 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190797 ZNIZFJGDOZYXGZ-SFHVURJKSA-N 455.609 2.703 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)(C)C 1760212953 JYXQKNVBULGRRD-OAQYLSRUSA-N 471.627 2.719 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760218191 ACAOTYYUOABSAS-DEOSSOPVSA-N 461.610 2.892 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1760233766 DWLUJXWXCQAPBB-IBGZPJMESA-N 479.647 2.677 30 10 JFEE 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MIQVLVBKTFGDBH-FQEVSTJZSA-N 465.487 2.521 30 10 JFEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2ccc(OC)c(COc3ccccc3C(N)=O)c2)c1 254556013 WVSMGOBGJAHFKQ-UHFFFAOYSA-N 499.545 2.703 30 10 JFEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 612623876 UZDIPJGUHDTUME-FQEVSTJZSA-N 481.350 2.844 30 10 JFEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)CC1 728530499 HYOVQRUXPRMSSI-RNXOBYDBSA-N 486.616 2.507 30 10 JFEE N#CCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCO)C(=O)O 757403351 SXXXPDUXKBVVKR-DHIUTWEWSA-N 479.533 2.929 30 10 JFEE CC(=O)OCC1=C[C@@H]2[C@H]3C(C)(C)[C@@]3(OC(=O)C(C)C)C[C@H](C)[C@@]2(O)[C@H]2C=C(C)C(=O)[C@]2(O)C1 1073362422 MTXOHECJOIIIJM-BPOIGWRRSA-N 460.567 2.737 30 10 JFEE CC(C)CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccco3)n2)cc1 1084008324 YWOCVMPTUWLIHX-UHFFFAOYSA-N 491.599 2.899 30 10 JFEE N#CC1=c2oc(=O)c(=Cc3ccc(Cl)cc3)n2-c2oc(N)nc2[C@@H]1c1ccc(Cl)cc1 1084085585 UTTFPMCOBPLWAX-QGZVFWFLSA-N 451.269 2.956 30 10 JFEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1 1084209019 DLBVBWQJOQOTAN-UHFFFAOYSA-N 482.492 2.806 30 10 JFEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N 1084347019 JYAPSMMCJYLBOM-AWEZNQCLSA-N 455.592 2.802 30 10 JFEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCc2ccc(C(N)=O)cc2)CC1 1144758470 DRFOLBUKKHDRDT-FQEVSTJZSA-N 455.356 2.890 30 10 JFEE COC(=O)C1(CS(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCCCC1 1189878798 HSSAIGMEKLYMQF-LJQANCHMSA-N 453.992 2.976 30 10 JFEE N#Cc1cc(F)c(S(=O)(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)cc1Br 1190427873 BGPVECQPHIADJJ-UHFFFAOYSA-N 452.305 2.912 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 1198252661 ZSQOOQLJIVLQQT-BBRMVZONSA-N 462.494 2.556 30 10 JFEE C#CCN(CC#N)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1270088089 WHQKKNPOQUVVJA-UHFFFAOYSA-N 457.502 2.673 30 10 JFEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Oc3cc(C)c(C#N)c(C)c3C)c2)CC1 1271791874 VHVGMWLPGUQQTO-UHFFFAOYSA-N 455.536 2.556 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(C)CC2)c1 1286309299 QFXAMGDHCUAMBW-UHFFFAOYSA-N 491.640 2.692 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)Oc1ccccc1OC 1286374585 OJIIUHFYSKHLAF-IBGZPJMESA-N 461.570 2.998 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286392685 JHWDMSHLNMMTLP-VXKWHMMOSA-N 471.627 2.673 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1Cc1cccc(N2CCOCC2)n1 1286427782 FDMKWAHQQFUOKT-UHFFFAOYSA-N 470.577 2.620 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC(C)CC1 1286437940 PIDOXMAJAGHSOJ-FQEVSTJZSA-N 472.659 2.775 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1286452779 LDUDKSKTUOUWJI-SFHVURJKSA-N 465.620 2.634 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)CC1 1286471510 LEQXNDHOUJONJI-IBGZPJMESA-N 468.577 2.761 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1286496035 LLPVSTQFSYLJBG-HOTGVXAUSA-N 482.701 2.658 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286603861 AQPNRWZOZKGXQY-QGZVFWFLSA-N 456.515 2.763 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1286662875 BBHRQTRAESZWOL-HKBOAZHASA-N 495.690 2.855 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286709745 CUIGDNZRKBZSBW-NRFANRHFSA-N 456.566 2.673 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccco1 1286740452 MZBUXTJHKXYWRU-NTKDMRAZSA-N 451.527 2.931 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1286756747 UQUIRFASSFMQBF-GOSISDBHSA-N 482.610 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1286815881 BRIGCNHOZWVHEI-NRFANRHFSA-N 455.584 2.813 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286817230 LFOOJDAPZLOPKX-QAPCUYQASA-N 499.431 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286817246 LIWNMAWGYNGKDU-JOCHJYFZSA-N 485.654 2.870 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286834932 NZZQCZYLOQQUOS-UHFFFAOYSA-N 474.656 2.638 30 10 JFEE Cc1cccc(-c2nnc3n2C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC3)c1 1296166137 FXBSGBIIEMAOJS-QYZOEREBSA-N 450.543 2.691 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1297705067 AZZRXEOSRYOJMP-MRXNPFEDSA-N 458.511 2.756 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCCC[C@@H]2C)c1 1300333118 WIEJXUZXWKIRTL-FQEVSTJZSA-N 474.613 2.999 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)N1CCOCC1 1300459478 STRCZJXNAPDXIW-UHFFFAOYSA-N 460.623 2.573 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1300489727 RGSAMOLELVVKMZ-HXUWFJFHSA-N 473.002 2.684 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCSC(F)(F)F 1300545013 FRXYYKOSMNHNTK-UHFFFAOYSA-N 476.572 2.969 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(NC(C)=O)cc1 1300559684 XQVXNTOCHPUAGP-SANMLTNESA-N 463.582 2.983 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNC(=O)C(C)(C)C)CC1 1300691310 UHOFLXCHZCPDHF-UHFFFAOYSA-N 491.409 2.764 30 10 JFEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCC(F)(F)F)CC1 1300706459 NFPOMORRWPUFMC-UHFFFAOYSA-N 489.590 2.741 30 10 JFEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1300754048 GMHQXJDMAXURKZ-GHTZIAJQSA-N 452.632 2.892 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300798388 NOUROUPYOSRSOH-JWQCQUIFSA-N 486.638 2.912 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300886132 WOIJBECFCNJPPN-SBHAEUEKSA-N 460.600 2.803 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CN(C)CCC)C1 1300935121 JTCFPGFBLQJNDY-LJQANCHMSA-N 460.648 2.940 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1300990368 JVVAINLRWHXSNK-MOPGFXCFSA-N 465.595 2.652 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 1301337587 ITGYREDUDAVOSZ-LJQANCHMSA-N 453.568 2.976 30 10 JFEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1COCCO1 1301372973 QSFMNUXDEQQYBV-SFHVURJKSA-N 460.604 2.531 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC(=O)N1CCOCC1 1301415337 QYHXGDCDFSUMDW-UHFFFAOYSA-N 492.418 2.904 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1301482803 ZZZOTZQCDCXPEH-QGZVFWFLSA-N 485.589 2.951 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1 1301520827 QHELTWBYMWAZLQ-ULQDDVLXSA-N 464.636 2.983 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1301579170 OWAWAPXWRFRYGZ-JTBPQFFMSA-N 461.613 2.809 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301588167 XZLFRFZPMHKKHN-YOEHRIQHSA-N 476.496 2.765 30 10 JFEE CC(=O)N1CCN(c2ccccc2CNC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1 1311125437 KPDQAXDVLKQZIG-UHFFFAOYSA-N 457.538 2.793 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)C1 1315744903 DNIXUZSSHHVICO-ZYKOEDHHSA-N 455.559 2.786 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1358885268 GIGAVYGQRVNFFH-RTWAWAEBSA-N 490.656 2.549 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1358962680 USXZHBDGAWFIMC-NRFANRHFSA-N 469.611 2.959 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358965337 SLNXNGVEHWKPHJ-TZIWHRDSSA-N 454.596 2.861 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](C)N1CCCCC1 1358989284 WQFZJIIQKKIBFT-NRFANRHFSA-N 457.586 2.648 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccc(F)cc1 1358997212 JRQLFGSLILLTBH-XMMPIXPASA-N 465.554 2.779 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCSCC2)CCCC1 1358999380 PBYYMOPIFYYODB-UHFFFAOYSA-N 453.616 2.747 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(Cl)c(OC)c2)CC1 1359037273 CMWDNVGXMXJQOX-UHFFFAOYSA-N 450.974 2.924 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H](OC)C(F)(F)F)CC1 1359039580 OBELVMGTJBFKBG-FGTMMUONSA-N 457.541 2.919 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 1359084566 LSIJIJGQWLGAHN-CYBMUJFWSA-N 472.796 2.700 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1359092052 WLWJCCOSIXCNHE-JBACZVJFSA-N 490.004 2.694 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1359095187 LGQIQCKWBIBWOS-VGOFRKELSA-N 490.626 2.957 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(=O)COC)CC1 1359102646 DKDGFFUROWQULH-UUOWRZLLSA-N 487.576 2.709 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)=O)CC1 1359126038 CIYJZPFKMRJBIX-UHFFFAOYSA-N 454.575 2.799 30 10 JFEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS(=O)(=O)CC1 1359211861 QXLWROOHESMNRA-UHFFFAOYSA-N 455.378 2.917 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1359215760 IUQWOFUMTFPVOM-PMACEKPBSA-N 496.033 2.809 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1359216309 UCSFFWDSFSVVAG-PMACEKPBSA-N 461.588 2.624 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCc2nn(C)c(=O)cc2C1 1359225067 LZEDDCORNRUUQI-UHFFFAOYSA-N 485.386 2.957 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359292190 JYVWCMKRTPMTRL-IBGZPJMESA-N 497.575 2.786 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCS(=O)(=O)CC2)C1 1359315814 CCJQSBLIVQNCMK-IBGZPJMESA-N 476.599 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1359333393 WISQRZHTAKTPKC-UHFFFAOYSA-N 473.643 2.738 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1359334272 ZAKQYVYPCCUZTJ-UHFFFAOYSA-N 489.642 2.993 30 10 JFEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1360568541 DBOUBAMRVMGVMX-WIYYLYMNSA-N 472.615 2.545 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1 1473256401 XZUZXSKPGZZCKY-SFHVURJKSA-N 458.522 2.745 30 10 JFEE 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30 10 JFEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2OC)cc1 1184647637 GZVXLMRSYWUIPN-HNNXBMFYSA-N 451.570 2.637 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1286290618 AGQYEWVVWLAGTQ-GJZGRUSLSA-N 472.512 2.529 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)c1 1286311114 JYLQMKSSDIQPJR-MRXNPFEDSA-N 483.516 2.579 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1286385370 XAZYFSYIWFCNNT-AZUAARDMSA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286385934 RJBBXECNEJUUGW-GOSISDBHSA-N 460.600 2.658 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286388130 LHJYKJKTLLUFIB-MRXNPFEDSA-N 466.966 2.669 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286392336 LLNKBWYVLZUIAP-RBBKRZOGSA-N 479.606 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OCc2ccccc2)c1 1286415875 SAZAOWBIAHEVRD-UHFFFAOYSA-N 456.550 2.902 30 10 JFEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1286441081 HVCUICPQGCWIPX-UHFFFAOYSA-N 459.597 2.762 30 10 JFEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286442384 XGDDVUOEGNLAPZ-UHFFFAOYSA-N 477.569 2.884 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1C 1286458280 PATREKGNVXIMTC-CBQOVEMMSA-N 489.617 2.826 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286462542 LUBWAQKVGBHKGS-UHFFFAOYSA-N 464.545 2.759 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)CC1 1286489199 JKGDHOTUIVXGEG-UHFFFAOYSA-N 487.608 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1286495357 ZIYWCMBPGXSYBK-GGAORHGYSA-N 482.604 2.580 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286602433 ZVZIREDFPSQIFU-SFHVURJKSA-N 485.589 2.964 30 10 JFEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286622110 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C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](c1cccs1)N(C)C 1359023542 NJQYBAIUAYFUFZ-HXUWFJFHSA-N 491.621 2.642 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2C)n1 1359027816 WYAVERKRKUXESO-REWPJTCUSA-N 473.581 2.972 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1359035371 RQUACXCDKBXBGI-LJQANCHMSA-N 454.541 2.549 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC(F)F)cc2)CC1 1359044340 CREDBMPUVRLHJN-IBGZPJMESA-N 473.524 2.788 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359058012 QDOKHYYVZVNOTK-BMHONFFRSA-N 491.658 2.550 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359058914 UWLCPEWTPUNPGP-UHFFFAOYSA-N 482.075 2.749 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359103454 OMCDJYPXNFYUKH-KNKQGSTJSA-N 488.633 2.827 30 10 JFEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccs1 1359132635 BIPZMHNONFPQQA-QZTJIDSGSA-N 481.644 2.607 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNS(=O)(=O)Cc2ccon2)CC1 1359162607 WZYXFXYSIPMACX-UHFFFAOYSA-N 492.989 2.871 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cc(CO)nn1 1359235754 MGVPBENTANRUAT-UHFFFAOYSA-N 462.352 2.513 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1359266357 ZDJWJIVAKRYKCH-LEWJYISDSA-N 460.623 2.759 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ncc(Cl)n1C 1359293989 HFIMISOZCOBFEJ-UHFFFAOYSA-N 465.949 2.661 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2Br)nnc1[C@@]1(OCC)CCOC1 1359305434 CLIODUKOTGXPCH-OAQYLSRUSA-N 478.391 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2ccccc2)C1 1359334348 CAFLPIYPSBOQLA-OAQYLSRUSA-N 454.600 2.734 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1360753750 IDRFNKLCZGKOOB-JKSUJKDBSA-N 466.995 2.845 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)ccc1F 1437812523 APVNHKMIAVAAHP-DLBZAZTESA-N 455.552 2.808 30 10 JFEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1464603449 GMBDGMCTHADFOJ-DEOSSOPVSA-N 455.559 2.604 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCC3CCN(C4CCN(C)CC4)CC3)cc2C1=O 1465616268 WPUSEWBVFNRIES-UHFFFAOYSA-N 452.599 2.737 30 10 JFEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1496121446 GATQRGOZLNHMNU-LJQANCHMSA-N 477.617 2.951 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCO2)c1 1507551415 DSPACJANVQWDPA-FQEVSTJZSA-N 490.589 2.671 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1507625974 MBAHEGZZHVQMSH-OAHLLOKOSA-N 498.472 2.568 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507628061 MWKYVCRBSXNWTB-HXUWFJFHSA-N 464.035 2.956 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1507629212 KTZVIPCXXXVEAR-QGZVFWFLSA-N 459.934 2.808 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1507635077 PGQLVKXDIOMEDM-OAQYLSRUSA-N 481.647 2.969 30 10 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30 10 JFEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1513314051 AYTNECSUZOXCHV-UHFFFAOYSA-N 451.575 2.750 30 10 JFEE C#C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)C(C)C 1525610003 QLYZYLAARZGBAV-JOCHJYFZSA-N 457.552 2.623 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539059890 UEVYMMBFLOUVBA-GBXCKJPGSA-N 494.640 2.755 30 10 JFEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(=O)N1CCOCC1 1539153698 IXKULDFIOPKSSZ-UHFFFAOYSA-N 450.568 2.695 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539212294 UCMVIQWTSDTRGS-VGOFRKELSA-N 474.583 2.680 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1539265391 FOMLEHWZAJIPDO-FQEVSTJZSA-N 497.621 2.843 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(N(C)C)CCC2)CC1 1539441095 KSOPUJMOOVZWGP-UHFFFAOYSA-N 452.603 2.592 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1539461761 KXAKWZSRRUBMMP-YKSBVNFPSA-N 453.587 2.682 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)CC1 1539469181 OHOISPACBAGUOX-HXUWFJFHSA-N 475.597 2.783 30 10 JFEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](COCC)C1 1539504220 BQGLHZQZTQSYHO-GOSISDBHSA-N 452.588 2.540 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1539539714 XOLCLNBMOWLLNB-BFUOFWGJSA-N 486.429 2.694 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1539539715 XOLCLNBMOWLLNB-ORAYPTAESA-N 486.429 2.694 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1539593801 ACDDVDJPUAVFGM-JKSUJKDBSA-N 468.302 2.994 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1539637765 SULLKVQWAPZQPB-WWEVIYMKSA-N 453.587 2.951 30 10 JFEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539846124 JYXYTRJQEWAWGQ-MRXNPFEDSA-N 451.543 2.728 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539977849 UJBZJCLYSRGMME-UHFFFAOYSA-N 451.491 2.838 30 10 JFEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1540019912 FYLRVNRJCRFCGZ-HNNXBMFYSA-N 479.354 2.653 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1540899131 DZTMOBDFLNJPJE-UHFFFAOYSA-N 496.008 2.787 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540905133 TUQRJPUXPVCSEM-KRWDZBQOSA-N 462.601 2.607 30 10 JFEE CC(C)(C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cc(F)cc(C#N)c1 1541028060 GHMXSJJLXAAJCY-HXUWFJFHSA-N 459.543 2.749 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccnc4ccccc34)CC2)ccc1F 1556571642 VKARNLORAZLKFI-UHFFFAOYSA-N 454.527 2.801 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1587798665 QCIZRDYOQMMMOU-MSOLQXFVSA-N 458.563 2.794 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1587975300 WRODZHAVPRQRTQ-UHFFFAOYSA-N 459.558 2.700 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1588034744 LHHXFJLFUWZRLK-HTAPYJJXSA-N 482.553 2.724 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1588035020 OLGWOHNAHGWGLX-GOSISDBHSA-N 492.026 2.876 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588058779 CGJBBGMNDVJXQQ-LJQANCHMSA-N 485.585 2.932 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)nn(-c2ccccc2)c1C 1588078184 CKWIXLPSTFHKPD-UHFFFAOYSA-N 464.533 2.849 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1588219022 IWTMLCRRCNGURB-UHFFFAOYSA-N 485.592 2.540 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588445000 CMGYRTHLBVAPRH-IBGZPJMESA-N 452.559 2.602 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2OCCN(C)C)CC1 1588929818 HHHHHDMISMIXJN-UHFFFAOYSA-N 480.657 2.821 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2N2CCOCC2)CC1 1588930594 ZUJWMYHMXVOANE-UHFFFAOYSA-N 478.641 2.717 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1589287925 GAYVECFQFLSFIP-GOSISDBHSA-N 460.376 2.871 30 10 JFEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1594651809 QQHHUELAQPHQBK-FQEVSTJZSA-N 461.636 2.500 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594698200 MHBPMZFTMMCZRG-UHFFFAOYSA-N 491.021 2.513 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1595507153 XWZZWHMRFLJNLI-UHFFFAOYSA-N 481.988 2.769 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1595577493 UOYNVJJFWYLEPB-QFIPXVFZSA-N 493.612 2.768 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1596463589 BKJFGJMLCBUNBJ-OAQYLSRUSA-N 452.559 2.650 30 10 JFEE Cc1ccccc1O[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1612307694 FLUUOTWRHYWNKM-FQEVSTJZSA-N 488.596 2.786 30 10 JFEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1614327997 CFCZWZDTGUBKFN-VWLOTQADSA-N 462.602 2.814 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1617907716 IEKJQOPOFSXIKM-FQEVSTJZSA-N 474.631 2.945 30 10 JFEE COC[C@@H](C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619580820 HJNGOTWDQLTDQH-IRXDYDNUSA-N 450.522 2.743 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1635310742 OTFGWXDJNPAZRP-JTSKRJEESA-N 458.536 2.970 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1689901271 HLITZLABMWMPCJ-UHFFFAOYSA-N 492.603 2.843 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1689952402 DRXLHZMNKFKHHD-HKBOAZHASA-N 462.554 2.911 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689980071 LFDBYNUOESEEQU-GBESFXJTSA-N 479.647 2.674 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1689996633 LEOHTTAJFSOSNY-MSOLQXFVSA-N 466.991 2.562 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C(C)(C)C 1690019157 BSHCRSBSQUKPPK-MOPGFXCFSA-N 459.591 2.720 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccc(N2CCOCC2)n1 1690031634 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1690420468 OJEZTQLNVZYXGP-HNNXBMFYSA-N 498.053 2.982 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1690464774 KIIOYXBYRDNWCH-SFHVURJKSA-N 472.594 2.863 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)CC1 1690467121 LZGUOQSTFMQNDJ-UHFFFAOYSA-N 454.604 2.686 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(=O)OC)C1 1690508494 JZPUJLWKHSRCLL-RBUKOAKNSA-N 477.606 2.985 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690512122 NBROMNLVKFCWSS-TZIWHRDSSA-N 497.644 2.610 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690663708 DCTXAJOJUIWPRY-IVZQSRNASA-N 463.941 2.814 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1690692015 PJHFZWNQODJNGC-DOTOQJQBSA-N 466.991 2.823 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNC(=O)C(C)(C)C)C1 1690696671 HGRIQQHHVDCICZ-GOSISDBHSA-N 493.612 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCOC 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1705561946 XEFPBZJHRUJFTP-INIZCTEOSA-N 482.553 2.861 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)c1cc[nH]n1 1705592174 DGSLJCBSHXTTTC-UHFFFAOYSA-N 456.337 2.868 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1705599220 WMMOLYNEGWDDAJ-CMKODMSKSA-N 452.580 2.576 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(C2CC2)C1 1705603732 UBZKBERDTGENEH-NJYVYQBISA-N 466.630 2.996 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1705630111 HGNBKGFIDRMDBV-XMMPIXPASA-N 452.628 2.874 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cnn(CC)c2)CC1 1705636763 WYDUCXUVBLQBPX-UHFFFAOYSA-N 463.586 2.761 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(O)CCSC2)CC1 1705645227 OJWZQHIHYAVDNG-OFVILXPXSA-N 467.639 2.654 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)COC)CC1 1705646818 PEPBPYSBGCQQMN-INIZCTEOSA-N 461.513 2.795 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN(C)[C@@H](C)CC)CC1 1705650040 LLTNXOAIWDRDQG-IBGZPJMESA-N 454.594 2.704 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)CC 1705671565 ORGLZKJXBDMTDW-LJQANCHMSA-N 466.405 2.639 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(=O)(=O)CC 1705694486 BPAPFNNYAMFPBA-FUHWJXTLSA-N 453.996 2.846 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705734866 DFXMSDDXYGQHHA-OAQYLSRUSA-N 498.632 2.760 30 10 JFEE C=C(C)COCCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705740631 RCJGMWXLUVLERA-NJYVYQBISA-N 490.649 2.946 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1705796113 ZNBSPYGUSSTABQ-PMACEKPBSA-N 480.594 2.909 30 10 JFEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705812649 HXXSUZZZXUFIDU-UHFFFAOYSA-N 480.613 2.860 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705895659 OENUEWXRZXRFDO-UHFFFAOYSA-N 483.960 2.596 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCc2ccc(Cl)nc2C1 1705905136 KUCARBALBPPJMS-UHFFFAOYSA-N 452.946 2.791 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705938595 DOCJPSITVLNMQF-MISYRCLQSA-N 476.647 2.525 30 10 JFEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 1711258719 DDVBSLHIEYREBR-FQEVSTJZSA-N 462.558 2.896 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1722319147 KYLJCNWZCIZGTO-FQEVSTJZSA-N 469.611 2.512 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1722364344 FVRQRPYZYXKSPZ-SFHVURJKSA-N 467.686 2.650 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722366016 GWKZTGBIFQLGCE-FPOVZHCZSA-N 460.575 2.571 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1722369952 JNQCBIDCDWXEOO-QGZVFWFLSA-N 487.557 2.530 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722370195 AGRTWDKIQOSGLC-PKTZIBPZSA-N 499.681 2.975 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1722394122 NWACXHUJQMZNGQ-UHFFFAOYSA-N 489.580 2.663 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2c(CC)cccc12 1722396845 LNAHMWYPCNOVLP-NRFANRHFSA-N 463.607 2.930 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722454497 MFKJLLCQGXYXAP-LEWJYISDSA-N 489.667 2.710 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1722479437 IKLZHZJBWNCRJO-HNNXBMFYSA-N 482.354 2.903 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1722596500 KAFMUTUTLHXXRU-NJYVYQBISA-N 459.616 2.660 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(C)C)CC1 1722693857 CCGRTMBLYRCVAH-UHFFFAOYSA-N 461.408 2.788 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(COC(C)(C)C)on2)C1 1722709742 WWLCUOFUTNPIPX-SFHVURJKSA-N 458.563 2.647 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2cc(Br)ccc2C1 1722732463 ZKKPKSPSFBDMHG-UHFFFAOYSA-N 469.405 2.741 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F 1723975545 FHUPWWUTMAVXJX-ZDUSSCGKSA-N 454.428 2.976 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740622051 STTAEYKEPDYKLL-KRWDZBQOSA-N 457.531 2.558 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(C)C 1740629103 ALEKKSXHVDXPMY-FQEVSTJZSA-N 464.957 2.830 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740662797 QUNNBNFGBJEXEN-GCJKJVERSA-N 487.626 2.626 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCC1CCN(CC)CC1 1740685464 GGFRHASRNWKWRE-HSZRJFAPSA-N 453.587 2.999 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1740694774 TWAWHFQZNGCULY-ZEQRLZLVSA-N 450.631 2.793 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740712565 MCGZATBPTKTSSO-UHFFFAOYSA-N 491.665 2.754 30 10 JFEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1740738385 GVUYOBBDOFZIDR-SFHVURJKSA-N 471.359 2.662 30 10 JFEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)COC)CC1 1740748037 FKDNMGIEROGRQB-UHFFFAOYSA-N 478.391 2.678 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740876261 PRIKPJUXPKCYLJ-IBGZPJMESA-N 471.627 2.854 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)C(C)(C)C 1740930172 PDYVQUPJYIXBNS-HKBQPEDESA-N 464.661 2.964 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740937343 XGWLNMZOIZYEFV-ZWKOTPCHSA-N 464.611 2.701 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](CN(CC)CC)C1 1740952801 OAWINHNAKWGGIO-INIZCTEOSA-N 478.439 2.516 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC[C@H]2C)C1 1740970332 JMPXQGJBUOLORA-UXHICEINSA-N 453.591 2.971 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1740971077 SVJRJGQNRCDNSG-INIZCTEOSA-N 450.584 2.501 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1740988425 DLWXDIRKRMVIFX-UHFFFAOYSA-N 483.623 2.509 30 10 JFEE CC(C)(C)CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1741203532 FSWZTWYDSROAAM-OAQYLSRUSA-N 499.685 2.656 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)Cc2cccc(F)c2)C1 1741983462 AFEPNKIPMZJWKZ-RUZDIDTESA-N 490.543 2.553 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(COc2ccccc2F)n1CC(F)(F)F 1743232787 GKQHUHKPVIRRPL-AWEZNQCLSA-N 476.438 2.935 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)CN1CCOCC1 1748668001 DPZPREBUCAIPJS-UXHICEINSA-N 474.650 2.819 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748811199 DBBAVHJTSOCDST-FXAWDEMLSA-N 469.542 2.573 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1748820626 GFXGUOOBUVQBAG-RTWAWAEBSA-N 465.579 2.712 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccc(-n3ccnc3C)nc2)n1 1748970534 ISKQOOIWXDPWFH-UHFFFAOYSA-N 487.612 2.996 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1749019671 CWXNRAPUOURHQO-IBGZPJMESA-N 468.627 2.536 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749020690 ZMYXSPCOQKEQAP-YLJYHZDGSA-N 473.046 2.901 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749037591 GADWZDHGUACGHB-QGZVFWFLSA-N 494.575 2.890 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749038571 LEEIKPWJCCNRSW-MHECFPHRSA-N 490.674 2.721 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1749065249 XYMVQKCAMNABLF-RUZDIDTESA-N 461.570 2.582 30 10 JFEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749104280 OWRDSQBVZFDVQH-HNNXBMFYSA-N 453.385 2.542 30 10 JFEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749110390 LUBFWANFESEUEM-HXUWFJFHSA-N 462.348 2.633 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1749123596 GNNNDFMQHBAAMT-TZIWHRDSSA-N 454.575 2.786 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCS(=O)(=O)CC1 1749147114 AARCMXSNEQQTTB-UHFFFAOYSA-N 470.542 2.889 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1749194203 YAMCTKZDAYBNAA-KRWDZBQOSA-N 491.511 2.981 30 10 JFEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1749211253 WGMLQBLUHAMPJH-UHFFFAOYSA-N 451.568 2.644 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749373680 QTBGRKNLMVRFME-XMMPIXPASA-N 499.641 2.686 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1749383418 WVHMSYNYIUFEGB-FCEUIQTBSA-N 450.587 2.894 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749414771 HPAZHRGYVRIXLB-IBGZPJMESA-N 474.631 2.514 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1749609393 MYKLAOHACNVLPJ-UHFFFAOYSA-N 456.547 2.541 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749650045 HRTXBQNCMZAQAW-HXUWFJFHSA-N 475.553 2.502 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](CC)C1 1749727426 UKQVPOZDJZEFQP-KRWDZBQOSA-N 464.613 2.649 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)(C)C)CC1 1749730626 LDWLNMBVEHRMJZ-UHFFFAOYSA-N 483.642 2.652 30 10 JFEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749758234 MKWBLOAFUPJGQW-UHFFFAOYSA-N 477.638 2.917 30 10 JFEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSC[C@@H]2C)CC1 1749813841 FNXPXGRPZNMJRY-KRWDZBQOSA-N 454.600 2.929 30 10 JFEE Cc1ccc(C(=O)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CC2)s1 1751441960 DQZDBXNIHKGESD-UHFFFAOYSA-N 498.634 2.584 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760149072 VZAYLKJLDAZOMH-HXUWFJFHSA-N 450.543 2.786 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(Cn2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 1760182578 KVPVRROXGXSRPC-DENIHFKCSA-N 466.611 2.711 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760188262 OCJINTANOZYGHB-MJGOQNOKSA-N 479.002 2.531 30 10 JFEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1760261569 NMDKNHNEYXBSEL-DEOSSOPVSA-N 450.631 2.614 30 10 JFEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(OC)nc2OC)CC1 1760262827 DAUYMTUWZRHBCD-UHFFFAOYSA-N 460.582 2.669 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(F)(F)Br)CC1 1760264073 AMQBZQUCUKGXEP-UHFFFAOYSA-N 454.319 2.908 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[S@](=O)C(C)(C)C)CC1 1760267931 GXKMVUGYQZTGQG-YTTGMZPUSA-N 459.591 2.597 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1760272305 FVHZWGCTOCWDKM-UHFFFAOYSA-N 479.585 2.753 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760285667 NHQRPAMUURWQAF-HXUWFJFHSA-N 485.654 2.922 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1760357063 CWAADBRHLNVZLA-NRFANRHFSA-N 473.643 2.716 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCS(=O)(=O)NC)CC1 1760399292 HWKYRLKYEBDJBQ-UHFFFAOYSA-N 463.604 2.693 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760429371 AHXOKPSUKCKUMW-UHFFFAOYSA-N 493.641 2.866 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1760489585 ICJYYGFMADRMQK-VWNXMTODSA-N 465.646 2.868 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760510696 KMYPAIDYRCDZBF-LJQANCHMSA-N 452.607 2.769 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760526763 GTPBBRNWDLLLMV-UHFFFAOYSA-N 484.601 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760548421 GNNXYAJWHNLTDO-WOJBJXKFSA-N 487.626 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1760550509 ACEGMKSGNHSAKO-UHFFFAOYSA-N 487.548 2.629 30 10 JFEE Cc1noc(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@](C)(C#N)C2)n1 1762672923 FUNNHEXQPHAGGS-JOCHJYFZSA-N 469.571 2.803 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)NC)CC1 1763763116 HCZIMGUJCBVDCT-GOSISDBHSA-N 465.602 2.722 30 10 JFEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CCO1 1765307103 FPWKRHBHNONQRX-FQEVSTJZSA-N 466.586 2.993 30 10 JFEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1OC 1770006643 DYGUHSNUKXMRKV-KRWDZBQOSA-N 459.572 2.527 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772788792 GYRNTTYTKNRKRL-SFHVURJKSA-N 468.462 2.768 30 10 JFEE COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)c(C)c1 1858293300 VKBYDIFQVWWTJA-UHFFFAOYSA-N 458.521 2.872 30 10 JFEE C[C@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)N3CCN(C)CC3)c2C#N)C1 1858818604 SBGYSRQHVNPDOG-HNNXBMFYSA-N 468.583 2.936 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(O)c2)cc1C 1862400746 LMVQWWIUMFTXMD-JOCHJYFZSA-N 452.507 2.620 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1ccc(F)cc1F 1862414478 ARISNEGMPLNJCR-NRFANRHFSA-N 486.471 2.964 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2cnc[nH]2)cc(OC)c1O 1862566271 RRWIDCGNYNXWQA-HXUWFJFHSA-N 464.478 2.536 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(OC)c(O)c(OC)c1 1862744381 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2.784 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540898487 LYXJABFWXDEESF-MRXNPFEDSA-N 484.525 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1540905243 RVVDCZFZHVVWAV-UHFFFAOYSA-N 496.580 2.870 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)nnc1C(C)(C)C 1540909110 YAOAQDFFHDIPDC-SFHVURJKSA-N 461.632 2.832 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 1540959494 BINZJRFYGGAIHP-FVJVTNMWSA-N 489.596 2.749 30 10 JFEE CC(C)N(CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1541617036 IAUWNVGLTHVKPB-UHFFFAOYSA-N 461.618 2.996 30 10 JFEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1547253348 DVBJTEPHBMEFKE-OAQYLSRUSA-N 464.492 2.873 30 10 JFEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCCC1 1547932225 GOPIQOIXLRCTDR-UHFFFAOYSA-N 452.559 2.780 30 10 JFEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1548008887 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C#CCNC(=O)[C@H](C)[S@@](=O)C(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2074691936 PXHVTUAEYKWGHH-BFQPASHQSA-N 496.585 2.644 30 10 JFEE CC(C)[C@@](C#N)(Cn1cnc(I)c1I)NC1CC1 2086393794 NCEYPMBERYOGQM-GFCCVEGCSA-N 470.096 2.763 30 10 JFEE COC[C@]1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2124543161 NXSQHNSSJGXPOB-IPPNXFFKSA-N 450.385 2.953 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]1(F)CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180984776 LGLVYMTYULORJJ-JLCFBVMHSA-N 464.347 2.747 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 2188799677 ORRRADJGTVMJHJ-ZACQAIPSSA-N 482.578 2.933 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255640727 YSHLLRXOVHUTJQ-LLVKDONJSA-N 465.303 2.628 30 10 JFEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC[C@H]1NC(=O)OC(C)(C)C 2255837433 PITHZZDFTIVDLQ-UONOGXRCSA-N 451.398 2.818 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 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CC1(C)OB(c2cccc(F)c2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2281783564 MEUCXLNWZGLHQU-LJQANCHMSA-N 454.351 2.756 30 10 JFEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)CC1 2281786098 DANAFFXQZSTPTM-UHFFFAOYSA-N 482.383 2.984 30 10 JFEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2281947169 ZEZHFBBJPHCWEB-UHFFFAOYSA-N 458.364 2.542 30 10 JFEE Cc1nn(C)c(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2281987692 BXNALSORPPKMAD-FQEVSTJZSA-N 496.417 2.806 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 2281996678 RQJATCVBSMAGGG-QGZVFWFLSA-N 464.416 2.871 30 10 JFEE CC1(C)OB(c2cc(C(=O)N3CC[C@H]4COC[C@@H](C3)N4Cc3ccccc3)ns2)OC1(C)C 2282001188 XUZUEOTUSYHAIU-RBUKOAKNSA-N 469.416 2.558 30 10 JFEE CCc1nc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282026755 HCIZJVWFYUMZLA-NEPJUHHUSA-N 475.342 2.534 30 10 JFEE CC1(C)OB(c2cccc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2F)OC1(C)C 2282143516 XAIUZPBLTVMPCO-CYBMUJFWSA-N 458.261 2.656 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2282310171 QELKBIIHJSLURG-SJLPKXTDSA-N 480.436 2.828 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2282319276 QXIJPOKHXRHCPU-MUJYYYPQSA-N 498.476 2.747 30 10 JFEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282342487 IAKCVVZKEGHEQE-DLBZAZTESA-N 480.436 2.910 30 10 JFEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282349069 UHEKMTRARQESTQ-QZTJIDSGSA-N 498.476 2.615 30 10 JFEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2282407001 RKJAVGYNIHWRNZ-STQMWFEESA-N 458.261 2.797 30 10 JFEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2282505061 YBDPOZVRAWGZFE-OYRHEFFESA-N 488.484 2.941 30 10 JFEE CCC1(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282507205 DEVYYUFQXLWIHU-UHFFFAOYSA-N 480.436 2.805 30 10 JFEE CCn1cc(C(=O)N2CCC[C@@]2(C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282530171 PZXYMVWQQHIQJD-QHCPKHFHSA-N 462.400 2.722 30 10 JFEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)CC(C)(C)C1 2282534403 TWXSPKWVQQCVPR-LJQANCHMSA-N 452.408 2.750 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282536806 HQWLCLOIFPRQEJ-MRXNPFEDSA-N 462.400 2.581 30 10 JFEE Cc1c(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542633 JPOKHIQSXLEPFQ-FQEVSTJZSA-N 452.408 2.812 30 10 JFEE Cn1ncc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)c1B1OC(C)(C)C(C)(C)O1 2282569077 LZDFYCUQMVWGTQ-UHFFFAOYSA-N 462.400 2.677 30 10 JFEE CC(C)(C)OC(=O)N1CCC(CCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2282580045 NNFMICMGJXUHMV-UHFFFAOYSA-N 462.400 2.866 30 10 JFEE Cc1cc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)oc1B1OC(C)(C)C(C)(C)O1 2282581365 HBBDHFOHGJVTRN-VWLOTQADSA-N 454.376 2.596 30 10 JFEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]2OCC[C@H]21 2282587063 HTJWNPNOTPUVEX-GVDBMIGSSA-N 478.420 2.944 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282608205 RIZAXPYBBAGVSW-UUBFPDNSSA-N 499.826 2.939 30 10 JFEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](N1C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C21CC1 2282616154 XNJNDMQQDANHES-CVEARBPZSA-N 456.352 2.695 30 10 JFEE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282643026 VNLFAPAPJZEIBQ-XIFFEERXSA-N 481.424 2.951 30 10 JFEE CC(C)(C)OC(=O)N1CC=C[C@H](NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282845397 RUCQSZYPGOVLAH-IBGZPJMESA-N 478.420 2.581 30 10 JFEE CN(CC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282846456 KBUDVYVOWLLEKO-UHFFFAOYSA-N 480.436 2.614 30 10 JFEE Cc1ccc(NC(=O)[C@@]2(CO)CCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2283961538 HEHZFCBJPASMDI-DEOSSOPVSA-N 460.380 2.995 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2283977135 MAHDVAVBBVAQCT-QHCPKHFHSA-N 464.343 2.683 30 10 JFEE COC[C@@H](CC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2284045571 OPHIVWPIBAFBNU-GOSISDBHSA-N 462.396 2.574 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284047240 DRJKUBZFTLVOAO-JTQLQIEISA-N 494.345 2.680 30 10 JFEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccs2)cc1OC 2296135912 IMKZHPMUFMMPAW-NRFANRHFSA-N 472.563 2.909 30 10 JFEE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1C=NCCc1ccc(S(N)(=O)=O)cc1 2297736637 HWXWVZYSOAANSO-LJQANCHMSA-N 457.512 2.675 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315642302 XZCKGVHMIJZHFN-OKILXGFUSA-N 451.398 2.866 30 10 JFEE O=C(C=Cc1ccccc1F)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325544313 NOBODJDUPQPYHY-UHFFFAOYSA-N 452.891 2.721 30 10 JFEE COc1cccc(C=CC(=O)[C@H]2CNCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 2328198351 XGZDOZGJEDMJDB-PMACEKPBSA-N 454.439 2.502 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339470013 BBWDFBIVCXEMQY-CYBMUJFWSA-N 450.316 2.570 30 10 JFEE Cc1ccc(NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2352951258 FCJTXYGTTGATGA-CQSZACIVSA-N 452.332 2.505 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@@H]4C[C@]4(B4OC(C)(C)C(C)(C)O4)C3)CO[C@H]2C1 2357337848 MVGWVOHBORRRSZ-GQBZEOFPSA-N 462.396 2.953 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364944380 VONWWHQKUSKNDD-CXAGYDPISA-N 464.343 2.864 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364944381 VONWWHQKUSKNDD-DYVFJYSZSA-N 464.343 2.864 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2370106087 HLSTYIXMHNRUEJ-OAHLLOKOSA-N 474.285 2.829 30 10 JFEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N(C)CCCc2n[nH]c(N)c2C#N)c1 12687024 FOLQIAYFMOKOFW-MRXNPFEDSA-N 478.578 2.708 30 10 JFEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc1OC 21317286 FGWDDGNMPQNNBW-WYMPLXKRSA-N 459.507 2.715 30 10 JFEE CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2N)c(C#N)c1C 59790552 AFBGXQXBJFLHTA-UHFFFAOYSA-N 487.523 2.716 30 10 JFEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 102749242 KHXMVABTPYCJFA-AGGMBTAESA-N 458.461 2.727 30 10 JFEE COc1ccc([C@@H]2/C(=C(/O)c3cc(F)ccc3OC)C(=O)C(=O)N2CCN(C)C)cc1OC 102751636 NQIUNVZZKVRERN-SADKCHQCSA-N 458.486 2.835 30 10 JFEE COC(=O)CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CCC(=O)[C@](C)(CO)[C@@H]1C[C@@H]3O 257563514 VGRAGVJGXZADGV-MGKFLGMYSA-N 490.637 2.987 30 10 JFEE C#CC[C@H](NC(=O)c1cn(C)nc1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757537834 YXDAKNQAOXGYMY-NRFANRHFSA-N 458.474 2.987 30 10 JFEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1 1084151013 GSZVAGNHBKKQGB-UHFFFAOYSA-N 457.472 2.907 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 1148891856 GMVRZBYWNZESSP-UTKZUKDTSA-N 453.520 2.580 30 10 JFEE CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1228299410 IBKUKFBIORQWAE-UHFFFAOYSA-N 455.522 2.657 30 10 JFEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286334899 CKTWJDBLPLRIAF-FYYLOGMGSA-N 470.662 2.745 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286388502 QHWZPYMFDCVRGH-GOSISDBHSA-N 458.515 2.669 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286390142 XTTLYZRSEYEQNW-FQEVSTJZSA-N 496.612 2.941 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1286397137 RNKWAJUDZAEORY-VAMGGRTRSA-N 460.575 2.930 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc([C@H]2CCOC2)cn1 1286403539 KCYKGVAPIWYYKZ-INIZCTEOSA-N 468.359 2.509 30 10 JFEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286495896 HUTNLVYKWJWCSF-KRWDZBQOSA-N 465.620 2.808 30 10 JFEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286535963 MOFXSJXWUAYLJO-RKVPGOIHSA-N 453.429 2.689 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286540811 SLQGMYRYKDKHBX-JOCHJYFZSA-N 487.402 2.900 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286562052 PSOQDCCCNCCZSQ-YQVWRLOYSA-N 455.563 2.820 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1286568856 YTTODGYYEKNTOO-JTSKRJEESA-N 457.600 2.839 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286606675 XMMBBCANXBPJGR-ROUUACIJSA-N 452.559 2.788 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1286689010 WEGHFBAZQQZZSV-HXUWFJFHSA-N 478.638 2.711 30 10 JFEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286704362 RSOICOBQSXNXPZ-JOCHJYFZSA-N 452.603 2.875 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286708057 OTHCDTXZBJGUOH-HXUWFJFHSA-N 475.615 2.551 30 10 JFEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccc(OCC(N)=O)c1 1286724399 HKIFHNDNOSMWOM-UHFFFAOYSA-N 484.601 2.927 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1OC)C1CC1 1286734632 FGMHJTRMEKWYHM-UHFFFAOYSA-N 469.567 2.964 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1286758297 JJVMPRCEGQVKPP-IBGZPJMESA-N 481.569 2.949 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1286787429 FWAIXAIPWJFHCA-NVXWUHKLSA-N 466.355 2.994 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1286790497 SRMUGGXUADRWDD-UHFFFAOYSA-N 451.550 2.650 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(CCC)C(=O)C1 1286819454 LGCHUFRSEBJKFZ-UHFFFAOYSA-N 498.609 2.650 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286821333 HQYBZQJHLXYIKZ-HXUWFJFHSA-N 468.627 2.581 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1286830423 MFMFUXTXZCDVJD-MJGOQNOKSA-N 460.648 2.623 30 10 JFEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1)C(=O)OC 1287776957 HGPMNLKAROECOS-SZMVWBNQSA-N 452.573 2.790 30 10 JFEE 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451.568 2.743 30 10 JFEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1705825540 WKQVAFKZEJFWDJ-PMACEKPBSA-N 454.575 2.841 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN(C)CCC)C1 1705908790 HPYGJVIEAKKTIG-PMACEKPBSA-N 489.665 2.820 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C1 1705925136 LMYFZXSEQJOKHN-UXHICEINSA-N 486.621 2.856 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705934018 YUSUTRNACHJPMI-LJQANCHMSA-N 474.627 2.883 30 10 JFEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1707936269 FQEFHBQVBAFGAI-GOSISDBHSA-N 479.585 2.938 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722317200 DCVAEPGYLRFIBY-QFIPXVFZSA-N 487.674 2.774 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722369642 CXSZOUDECNTLMB-HXUWFJFHSA-N 472.611 2.609 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1722369728 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CUDHCAWUQSGQRT-FQEVSTJZSA-N 467.599 2.738 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 1560149381 IFUITHOTJJOHPY-HZPDHXFCSA-N 454.449 2.703 30 10 JFEE COc1cccc(C[C@@H](O)C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1 1565661448 DLEUHDKMLCYMFZ-NHCUHLMSSA-N 458.356 2.770 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccc(C(F)F)n1 1587633220 SHMFWUNIQNSUMS-OAHLLOKOSA-N 453.501 2.686 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1587783254 MWSMYQMRSSTFAN-UHFFFAOYSA-N 480.613 2.938 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588059240 KHNFVFKLIPQNQB-GMAHTHKFSA-N 499.681 2.626 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@@H]1OC 1588637651 IJHVNNAIQGACOX-HBMCJLEFSA-N 491.633 2.530 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCC1 1588638854 XPIAOYJFFLPKDM-IBGZPJMESA-N 461.607 2.784 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1588752441 SMLRZYXJNFXPAS-DRLORSAXSA-N 473.662 2.915 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nccc(C(F)F)n2)CC1 1588871474 FCQGAMFFXMMGNZ-UHFFFAOYSA-N 453.497 2.697 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589007688 OOCIWMXVYVUXOR-YKSBVNFPSA-N 491.665 2.562 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CCC1 1589186311 XUPNTLUXFDIKMN-JOCHJYFZSA-N 458.584 2.922 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1589608309 DSHIUJLORAGKMW-UHFFFAOYSA-N 461.632 2.862 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1593696548 SIUPBMATKQECEM-UHFFFAOYSA-N 493.568 2.690 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(COCCOC)cc2)CC1 1594097109 MBSIOBCZWDHYJZ-OAQYLSRUSA-N 460.600 2.548 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 1594536148 VLONPVNJDNVQSJ-KLNOSBNDSA-N 489.642 2.632 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1594624758 AWQDDDRCVIESLT-SFHVURJKSA-N 478.594 2.831 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1594626789 OXGBAFLHHMGZTB-VQTJNVASSA-N 461.636 2.661 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1595076233 YEUCJRYGKYJIGG-LJQANCHMSA-N 483.594 2.833 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1595149679 SMJUYLQANWDTJI-UHFFFAOYSA-N 459.597 2.534 30 10 JFEE CS(=O)(=O)c1ccc(-c2csc(CC(=O)N3CC(=O)Nc4ccc(C#N)cc43)n2)cc1 1596428496 HQKOSRINIHKIST-UHFFFAOYSA-N 452.517 2.613 30 10 JFEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1 1618705469 HXRHCOOFRFCHDJ-HOJAQTOUSA-N 456.955 2.753 30 10 JFEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)c1 1618838006 IDOPFYODJKBZMT-HXUWFJFHSA-N 458.588 2.606 30 10 JFEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 1620178465 GULUQLJUQKEYSE-IBGZPJMESA-N 472.596 2.681 30 10 JFEE CCc1cc(N2CCC[C@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)C2)ncn1 1621766273 DHPGUWCXPZLZHK-INIZCTEOSA-N 450.362 2.620 30 10 JFEE C=CCN(CCOC)C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1626632284 WKPBIJBZLOAJEB-IBGZPJMESA-N 458.584 2.774 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1 1634373203 VMPLIWBAFRIVOS-OALUTQOASA-N 453.347 2.635 30 10 JFEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(CO)C2)c1 1637212318 NHKNPUTXBUILOQ-UHFFFAOYSA-N 450.944 2.794 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 1642276759 HXLSYRYXBMKXGH-CQSZACIVSA-N 454.332 2.795 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)s1 1643277264 IBWWGDLIARHJPH-LSDHHAIUSA-N 457.618 2.563 30 10 JFEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3c(=O)c(C#N)c(C)n(C)c3=O)c2C#N)C1 1644133597 DSEULNJMIABTDW-AWEZNQCLSA-N 453.568 2.840 30 10 JFEE CCOC(=O)CNC(=O)C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 1673275643 CVGAPFJAFPSGHB-UHFFFAOYSA-N 451.483 2.669 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC=CO2)c1 1689873384 GMWOQXUTADMTOE-QFIPXVFZSA-N 459.554 2.889 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1C 1689931919 LYMNKPVHQXTHEB-IBGZPJMESA-N 457.579 2.678 30 10 JFEE C=C(Br)Cn1c(N2CCN(c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690234450 DYRQWQSNVZFKFO-OAQYLSRUSA-N 477.407 2.949 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690242715 BMZFMDOQWRGYQU-VXIWKAIFSA-N 460.962 2.940 30 10 JFEE C=C(Cl)Cn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690358770 KMUWVMUXWXXINS-FQEVSTJZSA-N 468.027 2.948 30 10 JFEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690365675 CWMROUSWETUIPU-QFIPXVFZSA-N 452.621 2.833 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNC(C)=O)CC1 1690411330 KAGGPFCFHUFCOC-IBGZPJMESA-N 462.595 2.515 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 1690444118 BBBKMGGLYKKLNO-CZAYHTPWSA-N 489.642 2.585 30 10 JFEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1690508194 CXETZWLBRYRWBB-FCEUIQTBSA-N 489.642 2.586 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690627721 WCHLNKSGHMMLAE-LJQANCHMSA-N 458.994 2.596 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1c1nncn1C 1690675751 DMTVVIMWTRQJQR-INIZCTEOSA-N 491.383 2.936 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(F)(F)C2(OC)CCOCC2)C1 1690707531 YHSZJEQYYWDVQA-LJQANCHMSA-N 463.529 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)[C@@H]1C 1690717599 KNUOWBGLUQEKRV-UONOGXRCSA-N 488.477 2.977 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690720576 MQGQNVRSBAGZQV-UHFFFAOYSA-N 454.600 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCC(F)(F)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1690731348 JAEYEPCZWGXTAR-OAQYLSRUSA-N 488.601 2.937 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1690733906 QLEKIKKPPQCTRY-QAPCUYQASA-N 469.608 2.525 30 10 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C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705938098 MPPXZNVHCCROPR-UHFFFAOYSA-N 496.637 2.790 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CC(F)(F)F)C1 1722281314 UOPBLQGOCKUOFO-RDJZCZTQSA-N 497.591 2.889 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722311119 ROQIONVEEGHKJS-UHFFFAOYSA-N 483.436 2.699 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CN2CCOCC2)CC1 1722325481 KJXVRQLIPDVXGQ-UHFFFAOYSA-N 483.613 2.933 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1722361925 KFRSXHSSAFXFSX-IBGZPJMESA-N 485.997 2.872 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722364655 IVCDPWNZHZEBGU-OAHLLOKOSA-N 461.535 2.603 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1722365548 MTCOBDHVZZZPSF-HXUWFJFHSA-N 470.620 2.808 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(F)ccc1OC 1722382551 ANFICGUFBINTII-FQEVSTJZSA-N 483.544 2.855 30 10 JFEE 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30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCCC1 1286416490 OOHILIYVHIHBQR-UHFFFAOYSA-N 460.987 2.941 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2c[nH]nc2C)CC1 1286472489 UEZAFWHYKPKPJG-LJQANCHMSA-N 451.550 2.977 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1286495150 WYPZMCQHGBUMQH-LJQANCHMSA-N 476.625 2.773 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1286516452 GQOMMLPYWNTWNX-OYHNWAKOSA-N 458.563 2.744 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286534771 CQXPZYJNHIOPIC-KXBFYZLASA-N 459.385 2.685 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286640974 REBKLMLWRNQLFE-LJQANCHMSA-N 485.379 2.553 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2conc2COC)CC1 1286645560 FOZRGFSDGCWDMW-IBGZPJMESA-N 474.562 2.926 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1286668260 XKRDZMXKBKAHDA-SFHVURJKSA-N 488.658 2.889 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCN(CCC)C(=O)C1 1286782572 YPFGEGQCJWFEHL-QGZVFWFLSA-N 470.643 2.882 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286790767 OTBGFYODJPJFHG-INIZCTEOSA-N 485.639 2.721 30 10 JFEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(F)(F)F)CC1 1286972378 GYXDYAAOSLVSEJ-OAHLLOKOSA-N 493.559 2.859 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCSC2)C1 1287048816 DMWZEVOKWYJMLK-KNXBSLHKSA-N 480.610 2.703 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1287081901 BFRWEZOUFLXMPA-UXHICEINSA-N 457.600 2.893 30 10 JFEE C[C@@H]1CCCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1291103621 IBCGFXUBJDLEBT-BCHFMIIMSA-N 479.629 2.941 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)C1 1296165548 BNYURVNGJDQJQG-QAPCUYQASA-N 459.524 2.742 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CC2)C(=O)C1 1300409166 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cnn(C)c2)CC1 1359047354 CWBLZQPWZHURTL-FGZHOGPDSA-N 481.645 2.529 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1359047497 ILJDENSWTULLGI-YKSBVNFPSA-N 471.989 2.657 30 10 JFEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1359052835 RIUYWDARMLBYNV-UHFFFAOYSA-N 473.599 2.996 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359082581 NCXUUEKGYWHSKP-QZTJIDSGSA-N 476.375 2.942 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)cc1F 1359091321 MBFHFUUQTIXYED-ALKREAHSSA-N 469.558 2.784 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(CC)CCS(C)(=O)=O 1359100484 CGGBCAUUFKNJGD-WIYYLYMNSA-N 450.580 2.860 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1359164903 CGPYAVVMCCABNE-LPHOPBHVSA-N 465.570 2.918 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCC[C@@H]1C 1359256682 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1507665702 SOUWIGBMAKUWMB-UHFFFAOYSA-N 467.643 2.577 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507713908 AZBCCSMZBJXCFR-BBRMVZONSA-N 490.914 2.542 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCN(CCC)C2)CC1 1507726645 JTOBYRQLCKKCBF-QHCPKHFHSA-N 450.631 2.961 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CSCCS2)CC1 1507734492 NWHGXCHMUXCNCZ-HXUWFJFHSA-N 471.652 2.768 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1507739903 VZJSJGOCVCBOPF-FQEVSTJZSA-N 465.598 2.734 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507755065 AFGYKYAHLZSLLL-HXUWFJFHSA-N 484.645 2.507 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1507792726 ACOOFJUIGQVMQF-UGKGYDQZSA-N 490.626 2.959 30 10 JFEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507835325 VJTNAUGHGVFUAO-UHFFFAOYSA-N 477.034 2.973 30 10 JFEE C=CCCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507936824 HYSJAEITWDSRQP-IZAXUBKRSA-N 496.678 2.923 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC2(CCOCC2)C1 1508135557 MOGAYPVCPLTRLK-UHFFFAOYSA-N 498.552 2.533 30 10 JFEE C#CC[C@@]1(C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)CCCN1C(=O)OC(C)(C)C 1526635506 YQRUVTCULYPXDE-NRFANRHFSA-N 451.545 2.798 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)cc1 1527046801 CWDGXTFVERCHLW-HXUWFJFHSA-N 450.582 2.650 30 10 JFEE Cc1c(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)sc2ccc(C#N)cc12 1528805065 BPBQJHVFEZQIPV-UHFFFAOYSA-N 455.565 2.810 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(N2CCOCC2)nc1 1539268047 CPXPLVPWOJPUPT-UHFFFAOYSA-N 460.969 2.875 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCC[C@H]1CC 1539413858 OHQHMSYCZZDBRA-LJQANCHMSA-N 463.586 2.944 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCN2CC)CC1 1539447965 ZSQRLHCURQCPAZ-YADHBBJMSA-N 485.677 2.632 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC)C1 1539620099 JGGJICGQFTYKFC-HFTRVMKXSA-N 466.380 2.869 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539707981 VYDZLLZVIPKLQU-UHFFFAOYSA-N 451.550 2.964 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1539714581 NBLOARHXPGURRJ-UHFFFAOYSA-N 486.686 2.622 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)[C@H]1CC 1539750782 CKCFMKVLFIOHMK-RBUKOAKNSA-N 476.622 2.700 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 1539829358 XEIIWKVWLAPWBI-INIZCTEOSA-N 461.588 2.751 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCC2(F)F)CC1 1539848461 OPUUJOOFBZNMCS-SJORKVTESA-N 459.563 2.593 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1539875866 XRWIYTBVGTVANT-RUZDIDTESA-N 469.586 2.634 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CNC(C)=O)CC1 1539986441 YWEVDPVHHLDXJO-UHFFFAOYSA-N 474.631 2.514 30 10 JFEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540040428 SVTOWEJVNLHCFF-QFIPXVFZSA-N 490.402 2.929 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1540884575 RFEHULOJEVPIJX-YADARESESA-N 477.606 2.578 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC(F)(F)F)C1 1540889613 QEJRKJMCALEHTF-OAHLLOKOSA-N 488.536 2.946 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 1540905587 TZISYEHSPFGCLK-FQEVSTJZSA-N 476.553 2.823 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540908858 PRMHIMXDUKWKCH-PZJWPPBQSA-N 473.643 2.693 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1546988282 GNUACHJUIFPTKI-HSZRJFAPSA-N 496.612 2.619 30 10 JFEE CCCN(CC)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1547118394 GXTAKWVUISOIMU-UHFFFAOYSA-N 463.565 2.804 30 10 JFEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1554607239 CZOIIJAIEGZGFI-AEFFLSMTSA-N 456.547 2.867 30 10 JFEE COc1ccc(Br)cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1554809896 BDXPMCZUIVTURD-HNNXBMFYSA-N 494.415 2.740 30 10 JFEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1 1562063361 WOEDALLGRZWYSB-UHFFFAOYSA-N 451.476 2.878 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN(C)Cc2ccco2)cc1 1565805971 UVPFOAJUVBPSMQ-UHFFFAOYSA-N 451.548 2.753 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1587808372 QRJAJZGTMFPKFW-FUHWJXTLSA-N 461.588 2.660 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588040518 NXWSTAFHVZFBFA-GGAORHGYSA-N 480.638 2.564 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588045986 VFIDAAUKJSRRNU-NFBKMPQASA-N 494.665 2.954 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588059564 QIGMZMJBNLARRD-VSKRKVRLSA-N 463.692 2.861 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588070379 ZOAIDDZTLIYSQA-JTHBVZDNSA-N 499.681 2.913 30 10 JFEE C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588157580 DDPIPKWOLDDBBD-MRXNPFEDSA-N 459.955 2.954 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1588398737 ISGWQIUXMXGMQP-FQEVSTJZSA-N 465.558 2.742 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1588914142 XYWNMMQMQGCDGA-UHFFFAOYSA-N 491.562 2.524 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1589006696 GWJFVJCQPPAZPM-LBPRGKRZSA-N 454.419 2.802 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1589110146 PTFLWVSDOQUCHM-UHFFFAOYSA-N 454.600 2.526 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1589366968 OBIBMLIYZKSLMA-CVEARBPZSA-N 465.396 2.560 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1589529949 QSLFQHVCCCTXBS-UYAOXDASSA-N 451.637 2.825 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1589567953 HBBNJZKTBXENSR-LZNRXBQRSA-N 452.559 2.528 30 10 JFEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1593746759 MHPBPMMLIVEWEU-IBGZPJMESA-N 460.600 2.817 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1594448249 CLOZCKGCCRDADH-UHFFFAOYSA-N 451.575 2.976 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1594732687 GVZGHBIIYPYRCC-FGZHOGPDSA-N 488.658 2.682 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595234760 YKRUCMXDYOJNDC-OAQYLSRUSA-N 468.627 2.800 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)Nc2ccc(F)cc2)C1 1595745173 QRHTWQRKHLGXRL-HXUWFJFHSA-N 453.522 2.699 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSC(C)(C)C1 1595777901 UFKIYILMMGPNLQ-UHFFFAOYSA-N 464.613 2.649 30 10 JFEE C[C@@H]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1612724726 DRAUCXRWIHSSKP-QUCCMNQESA-N 472.615 2.637 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCOCC1 1613332187 HOVFJJOEKYJVQW-OAQYLSRUSA-N 451.619 2.708 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C3=C(C[C@@H]1C)NC(=O)C[C@@H]3c1cnn(C)c1)C2=O 1614472508 OEZWNWIWYGTDSP-DRNJLYFOSA-N 471.897 2.571 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1615349611 CPWKTZVTKYRECK-PMACEKPBSA-N 474.617 2.756 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 1624045616 AHPTVCNWQHYPBT-CQSZACIVSA-N 453.351 2.538 30 10 JFEE N#Cc1ccc(CNC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 1642228889 IFLQOKOQCWQSRN-QGZVFWFLSA-N 456.344 2.683 30 10 JFEE C=CC[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1645470762 QTNCMEXPMUEMGB-XZOQPEGZSA-N 453.580 2.820 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C[S@@](C)=O)cc1 1649538954 IPFGJYVZAYFPKL-UYCLUKJHSA-N 498.678 2.931 30 10 JFEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1659852188 ABURLFKLYGIDLH-QGZVFWFLSA-N 455.529 2.581 30 10 JFEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1CC(=O)OC)c1ccc(Br)cc1 1663555747 ZYMILHXJNUXZPJ-QGZVFWFLSA-N 452.326 2.826 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)CCc1ccc(I)cc1 1680909594 NCDYJXUNICFNQX-ZDUSSCGKSA-N 450.342 2.512 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCN2CCOC[C@H]2C)c1 1689872276 SZNLGJUGJCUKAF-LJQANCHMSA-N 452.603 2.644 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1689920607 DGMMTNDJANVJAF-UHFFFAOYSA-N 477.573 2.639 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1689985000 ZWLZOPXFVIUWCY-DJIMGWMZSA-N 451.955 2.758 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986775 WXIZPTCBWJZHNU-LJQANCHMSA-N 459.616 2.887 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)CC=C 1690007871 MIQANFFQRYJWIT-UHFFFAOYSA-N 461.385 2.690 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1csc([C@H](C)OC)n1 1690017194 ARXINAWBYKQXSO-SFHVURJKSA-N 476.610 2.737 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2CCCCC2)CC1 1690150528 LIAKQLMWWCTTPF-UHFFFAOYSA-N 483.686 2.864 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CCn2ccnc2C)CC1 1690154434 OCZUKBSXJPYFJK-UHFFFAOYSA-N 493.637 2.750 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690160171 ZQMKMDYQGOOMDH-VGSWGCGISA-N 457.556 2.994 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1(c2ccccc2)CC1 1690219380 CPQUTNJEDLJSHE-OAHLLOKOSA-N 468.421 2.965 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1690312020 ZEOKUVPHJWIFAM-GOTSBHOMSA-N 455.603 2.620 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1690597142 KRVPXDPGSOZGRI-IBGZPJMESA-N 457.579 2.741 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1nnc2n1CCC2 1690615408 CZBTWVXDIPMOJX-UHFFFAOYSA-N 458.364 2.932 30 10 JFEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1690648332 YTYIWVZBUIFKGX-UHFFFAOYSA-N 462.602 2.703 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690667185 SXDSLJVCXXFVED-UHFFFAOYSA-N 483.960 2.747 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCCCC2)CC1 1690678255 PRCWBOZXUMJVDA-IFMALSPDSA-N 458.651 2.954 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690682205 HWQUKGLBCFAUNU-MOPGFXCFSA-N 482.585 2.946 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccn(C)n2)C1 1690714637 QGCGXFWFKRUIOY-MOPGFXCFSA-N 457.579 2.913 30 10 JFEE CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1694653013 ATOJKANQIQCTEJ-XMMPIXPASA-N 470.643 2.573 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CCN(C(=O)OC)CC2)CCOC1 1696066374 FAQNUYAUWBAHIS-GOTSBHOMSA-N 460.579 2.539 30 10 JFEE CN(C)CC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1696613035 DVHRYKKSWBTYGQ-UHFFFAOYSA-N 465.581 2.604 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1698487291 GQXAKLRYOMFJME-MSOLQXFVSA-N 475.519 2.793 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1 1705481128 AHISLAPBHSGWOC-LJQANCHMSA-N 458.632 2.529 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)c1 1705503732 CUXCUWYSANGAMG-FQEVSTJZSA-N 488.583 2.988 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)C(C)(C)C)c1 1705506762 HWRJHZUFWJYVEK-HXUWFJFHSA-N 487.626 2.789 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(C)=O)nc2)c1 1705507055 QGLBHRDSNFBVMP-JOCHJYFZSA-N 487.564 2.978 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705562593 GDXQIJLZTPHLRK-SIKLNZKXSA-N 457.644 2.865 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1705565877 KBIJANMPUITJQV-KRWDZBQOSA-N 450.511 2.740 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1705590460 LXKIBARCRFVDBJ-NLFFAJNJSA-N 473.618 2.942 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1705611561 IMARCWRPLZSHFP-INIZCTEOSA-N 456.497 2.949 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)N2CCOCC2)CC1 1705636727 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ATISIOGZBAHLPT-UHFFFAOYSA-N 472.584 2.941 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1722343841 FAVBDLFHUCEUCR-FDDCHVKYSA-N 459.591 2.835 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722363971 IWARFVUKYYIFEV-GOTSBHOMSA-N 480.638 2.813 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1722368000 ODSFRNIUOLNWSF-NRFANRHFSA-N 477.590 2.888 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722368324 PXAICZOPKULVFH-IFMALSPDSA-N 472.611 2.788 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1sc(C)nc1C 1722394076 NBYAZOZPXFLKAH-UHFFFAOYSA-N 467.624 2.823 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1ccccc1F 1722421688 SBGDLMZZKLAAAD-UHFFFAOYSA-N 489.349 2.691 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2F)CC1 1722441547 SLHSSSFCRZKUMJ-FQEVSTJZSA-N 451.550 2.502 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCSCC#C)CC1 1722450259 BEHNFJUUKIWJEO-UHFFFAOYSA-N 465.623 2.806 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOCC1(C)C 1722466562 ZUJNXVQXENSPHC-RUZDIDTESA-N 485.032 2.964 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCC)CC1 1722486756 CWDWCVOWNQZRKH-UHFFFAOYSA-N 455.382 2.821 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722519637 GYMIXQYWDKXENC-INIZCTEOSA-N 451.568 2.899 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722520492 SKHASVGUEPMGNS-INIZCTEOSA-N 477.338 2.896 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1722538144 LKTQDLBGLQRUKG-XMMPIXPASA-N 473.549 2.515 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N2CCCC2)CC1 1722559769 IAFRCKZXIZUEBI-FPOVZHCZSA-N 458.632 2.882 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1722588749 ZCTGCPOXRAGEEL-ROUUACIJSA-N 471.693 2.791 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCOCC1 1722655836 LDIZAQBCSHSZJR-VXKWHMMOSA-N 467.570 2.608 30 10 JFEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722681218 KKXNAEXOBBVSIU-LQWHRVPQSA-N 456.566 2.732 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1722692058 VUUYJEROQQWZGJ-XDHUDOTRSA-N 489.020 2.953 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722700767 TWOLWOZVQGULKB-LJQANCHMSA-N 454.604 2.591 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CCCOC2)C1 1722736811 JNMQGUNZQNFCQW-DNVFCKCGSA-N 466.648 2.804 30 10 JFEE CC[C@@H](C)[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1726829595 CDPYXVNWTBYHQX-MZNJEOGPSA-N 454.623 2.973 30 10 JFEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740578769 GDKQMNBTJYOLLU-HDICACEKSA-N 458.607 2.913 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740618446 HVGMYXPTAKKTQT-KRWDZBQOSA-N 462.641 2.673 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1740625367 FHUDNEYPLKYAEB-HKUYNNGSSA-N 491.683 2.796 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(SC)CCN(C)CC1 1740634989 RMPDVDDPLFYWHC-UHFFFAOYSA-N 451.596 2.617 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H](c1cccs1)N1CCOCC1 1740642153 KMDYIMFKGIWYSX-FQEVSTJZSA-N 466.636 2.842 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCCC(C)(C)C2)CC1 1740701440 HJQGGWXWSMDNBI-UHFFFAOYSA-N 452.603 2.934 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 1740753227 GYMULUZBGMNTMA-WMZOPIPTSA-N 481.416 2.924 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740754322 DUJPQHPZDRVTNX-HFTRVMKXSA-N 453.996 2.844 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCCS(C)(=O)=O 1740760211 OSXSDBYEKCWNFR-WIYYLYMNSA-N 450.580 2.860 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740788058 ORUZASVPKZQSPI-WMZOPIPTSA-N 460.966 2.878 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1740868267 HSJVUTJWBGAUAU-SJORKVTESA-N 470.640 2.596 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1740893345 GWWZDLJLUTWYBB-CQSZACIVSA-N 484.420 2.762 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740939283 UEDAVMKULAPWJO-OAHLLOKOSA-N 471.986 2.658 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740944376 DFKJJRMXJMUFHN-CQSZACIVSA-N 454.394 2.659 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1740957692 XNMYEKIYBJMOFE-UHFFFAOYSA-N 478.553 2.707 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 1740966818 QNMGWWDRBHTNIS-GHTZIAJQSA-N 466.586 2.535 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(OCC)c2)C1 1740981664 PWCRJPGDPWSZRO-PZJWPPBQSA-N 460.600 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1740986818 IFCHBECQPWGPNK-OKILXGFUSA-N 454.394 2.729 30 10 JFEE 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30 10 JFEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1594121877 HRYWXLZKOSFPCQ-UHFFFAOYSA-N 452.603 2.936 30 10 JFEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1594752338 GUQHBBKHSNGSFV-VWLOTQADSA-N 466.586 2.853 30 10 JFEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncc(F)cn2)CC1 1594803468 VFUQJMFXIUZRHX-UHFFFAOYSA-N 453.522 2.802 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1595577243 MBYUTAWTUJOBGI-RLSLOFABSA-N 469.586 2.549 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 1595594157 LKSKREJKBOQUEB-UHFFFAOYSA-N 491.061 2.827 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(Br)cn2)C1 1595753284 GLSDJDHOGFDAPB-DLBZAZTESA-N 451.369 2.960 30 10 JFEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1595844709 HPNANRUAEGJAHX-INIZCTEOSA-N 469.608 2.558 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1615348916 BWSMZQVPQSJXFD-IBGZPJMESA-N 491.644 2.924 30 10 JFEE C#CCN(CC#N)C(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OCC)cc1 1617397957 QAZPAIZVYJMRPV-UHFFFAOYSA-N 457.508 2.502 30 10 JFEE CO[C@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619488731 FKINVHHTWUIKEO-QUCCMNQESA-N 454.623 2.922 30 10 JFEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 1622746437 AWLCZICVGLQYHF-INIZCTEOSA-N 458.540 2.861 30 10 JFEE C=CCCCNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1623331703 WRZUOFATKZGIIE-UHFFFAOYSA-N 454.184 2.962 30 10 JFEE C=CCn1c(SCC(=O)NC[C@@H]2CCCCN2CCO)nnc1-c1ccc(Cl)cc1 1624698092 OWFXHOHXCFLXBJ-SFHVURJKSA-N 450.008 2.840 30 10 JFEE C#CCN1CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 1635015722 ACJUCVIWSZDLOS-OAQYLSRUSA-N 450.377 2.966 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1653659570 SBZFJFNRIGFHIA-QUCCMNQESA-N 451.589 2.522 30 10 JFEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1670073489 IDZLKEIYPNZAMH-UHFFFAOYSA-N 453.474 2.926 30 10 JFEE 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N#CC1CCN(c2nnc(Cc3cccnc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1698489994 GMWWACIMMCWSSM-UHFFFAOYSA-N 457.464 2.925 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1705510333 PHAUKRAXXUPCDL-ZWKOTPCHSA-N 464.661 2.637 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 1705560478 KYRLWHPWTZVRQW-MJGOQNOKSA-N 458.584 2.628 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705569435 CSFRQSGPBLKVPL-WOJBJXKFSA-N 463.003 2.574 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705693303 DXINQPKINXZZLC-UNMCSNQZSA-N 489.580 2.903 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705695337 IGXWQOSNOCSKMT-ICSRJNTNSA-N 463.604 2.593 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705707158 GBWJZLQJRNLLSH-AOJNWGRGSA-N 489.661 2.995 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1)C1CC1 1705854123 NBDJVFOLBXALJB-IBGZPJMESA-N 472.594 2.503 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705863169 KAWYKNUZMHUUIP-HXUWFJFHSA-N 492.546 2.856 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1705914803 FOACSXOSUATKRD-MBOZVWFJSA-N 464.563 2.773 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C1 1705914834 FUSPNDNUHCDCJQ-HXUWFJFHSA-N 469.977 2.733 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705933880 URJRNNNFLIGTLP-MRXNPFEDSA-N 495.030 2.937 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1705936796 YOCALQREYNWBJD-HXUWFJFHSA-N 463.579 2.586 30 10 JFEE C[C@@H](COCc1ccccc1)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1706829314 CTUJILPNQXXMGP-QUCCMNQESA-N 480.594 2.851 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1709587629 BUYUAEVVFZKIRP-BCHFMIIMSA-N 480.613 2.832 30 10 JFEE CCCNC(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1709830459 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30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1286581665 MRGZMMKLBWVQRO-OAQYLSRUSA-N 454.600 2.876 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCC)CC1 1286666725 DYNZJNCCDVNFBV-UHFFFAOYSA-N 492.466 2.907 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1286745424 VUDTYNLKDHQGGT-LOSJGSFVSA-N 473.593 2.717 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286790887 ZIIHFLORWYCLEC-HXUWFJFHSA-N 453.587 2.506 30 10 JFEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1287218641 DUFNFDNDKIHEAC-UHFFFAOYSA-N 470.643 2.953 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(Cl)ccc2OC(F)F)CCOC1 1296662622 FERXMPNNJCHPKD-IIBYNOLFSA-N 483.903 2.962 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1297653359 HIQHBGHINKZOJH-ZHRRBRCNSA-N 457.556 2.577 30 10 JFEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cn1 1298827471 ANCRAKIJBIDUJD-IBGZPJMESA-N 492.584 2.862 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCS(=O)(=O)NC 1300274992 OOMOXCPVKNFENF-CVEARBPZSA-N 453.996 2.695 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1300482164 DKISNTOAUVXJTI-VQIMIIECSA-N 466.592 2.704 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1300500686 CBOUGZKPVSESIQ-XZOQPEGZSA-N 470.639 2.895 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300506570 VBZBRDIFEIOSBG-XPWALMASSA-N 485.654 2.622 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1300511841 PDROPIBSCVADQI-HYBUGGRVSA-N 469.611 2.616 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C(C)(C)C)no1 1300516906 UTRJGNSDSPBGKO-UHFFFAOYSA-N 451.552 2.755 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2ccnc2)c(F)c1 1300544806 GJYXLUXJRFVIJW-UHFFFAOYSA-N 473.537 2.716 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[S@](=O)CC 1300577897 DVVPUTDYFRLMAB-JGCGQSQUSA-N 461.632 2.624 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1300700763 VWNCDDFVKWUQMA-IFMALSPDSA-N 467.614 2.823 30 10 JFEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCCOC)C1 1300849301 NNDRHQSKFPCVOM-CRAIPNDOSA-N 465.348 2.941 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CO)CC1 1300870574 UOSMPJWVHRYONU-TZIWHRDSSA-N 460.600 2.539 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301246670 VQNIUFIRRJTMOE-OAQYLSRUSA-N 473.021 2.934 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1301390135 DKYLBKWXDASGQK-SIKLNZKXSA-N 455.628 2.805 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301484140 BQDHTWGVHBSUQB-KSSFIOAISA-N 478.391 2.880 30 10 JFEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1302110836 GSGIFSBRWUBWFZ-LJQANCHMSA-N 457.600 2.893 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1303761439 GFHPJMYSOFNKJV-JTSKRJEESA-N 462.957 2.921 30 10 JFEE C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1309761859 OUZKXSFACKOHIZ-QZTJIDSGSA-N 458.964 2.639 30 10 JFEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)C[C@H](C)O1 1315933361 FPXMAZOFZQQIFB-SIKLNZKXSA-N 466.586 2.850 30 10 JFEE C#CC[C@]1(C(=O)N(C)CC(=O)Nc2cc(OC)cc(OC)c2)CCCN1C(=O)OC(C)(C)C 1355176329 WCGXJJZFMFWYMI-XMMPIXPASA-N 459.543 2.894 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2CCN(C(C)=O)CC2)c1 1358901071 ZABATQIVUJYNHK-UHFFFAOYSA-N 450.587 2.890 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1358957112 PWUIZGUKHBQGLO-QFBILLFUSA-N 458.515 2.825 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358960937 OSDAVFJLAJPENL-PKOBYXMFSA-N 469.542 2.573 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1358976918 XCDTVTFGPYMAAZ-UHFFFAOYSA-N 483.580 2.704 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[S@@](=O)C(C)(C)C 1359018031 APAWCLXOIAZAAJ-JGCGQSQUSA-N 459.616 2.780 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCN(C(C)=O)C1 1359021538 SITNWQIONKEAGB-GOSISDBHSA-N 459.978 2.952 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-c3ccsc3)nc2)CC1 1359029721 GAPCNXJSODJIKE-LJQANCHMSA-N 466.611 2.929 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1359029901 KDDLTVBWNOOWHJ-FQEVSTJZSA-N 484.548 2.598 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCn2cc(C)cn2)CC1 1359031953 VSLXUKKVGZHRTH-UHFFFAOYSA-N 460.405 2.729 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCOC2)CC1 1359032930 IXBNLNUXVKPKDV-MRXNPFEDSA-N 460.376 2.508 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 1359047414 GFZMSYBXCFKLBT-UHFFFAOYSA-N 483.016 2.738 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359090734 FUAAKVMWYBRXJI-KNQAVFIVSA-N 481.601 2.601 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359264912 SINUZPYBZYRMOX-QHCPKHFHSA-N 488.635 2.969 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1359303333 KOJGLZCSEJLWIM-UHFFFAOYSA-N 489.068 2.585 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)cc1 1359307166 CHVAXNKIVLKXRQ-TZIWHRDSSA-N 466.586 2.583 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCOCC2)C1 1359325691 KWZJOXGZNARRHW-SFHVURJKSA-N 460.600 2.902 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359342334 VKDKPKXOHRBRPI-RTWAWAEBSA-N 470.643 2.788 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1359848838 DRJKKTUOKCGYMF-UHFFFAOYSA-N 480.617 2.937 30 10 JFEE CC(C)N(C)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1360100128 HRCYKTKPKMAQQT-HSZRJFAPSA-N 455.586 2.624 30 10 JFEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 1444522361 HGEVSJINNFCCNK-VXKWHMMOSA-N 454.552 2.612 30 10 JFEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)C2)s1 1456733099 GPJGZNDELZZMST-ZDUSSCGKSA-N 450.611 2.558 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1496224905 BJYDZFUINJEILV-RHSMWYFYSA-N 450.465 2.889 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1507564792 WVESZJMLYVASKZ-NRFANRHFSA-N 493.580 2.862 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(N2CCNC2=O)CC1 1507593382 ZRDKUOGWEYLRJX-LJQANCHMSA-N 485.633 2.800 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507625428 IUGQTRQJDPSCDO-LJQANCHMSA-N 493.580 2.659 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1507630318 WVRXREOARNGFCJ-AOMKIAJQSA-N 474.970 2.726 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507630471 ZSWLMLRECSTAFQ-IERDGZPVSA-N 493.427 2.903 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1507632620 OKTNVTXIZANIAV-PMACEKPBSA-N 487.626 2.767 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)N1CCOCC1 1507680229 AGILQLOBTPMZJS-UHFFFAOYSA-N 457.575 2.541 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507743444 BSQKOBGPZSRBLG-HSZRJFAPSA-N 459.591 2.800 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507801256 SMOKUNVKCLTDLH-WOJBJXKFSA-N 453.591 2.951 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507802877 ACTBMMZZCVJGFZ-YWQGAKJTSA-N 470.570 2.507 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1507805299 OZWWZGVOLCVGBY-XPNTWCBSSA-N 452.603 2.986 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCSC1 1507819861 VQBDMEJVCFYSIG-OAQYLSRUSA-N 464.661 2.817 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507822857 NFZUFNNOYABJPK-UHFFFAOYSA-N 470.379 2.852 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1507912740 YHOAZXNCSCRJSD-SFHVURJKSA-N 450.547 2.913 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCN(C)C1 1508026740 VTVCGUUXUYRTDM-HSZRJFAPSA-N 452.515 2.748 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)c1cccs1 1508080287 NEBKFNIJEKHIMY-HNNXBMFYSA-N 473.628 2.799 30 10 JFEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nnc1C(C)(C)C 1508099461 YIWKKOAGFIFSOA-UHFFFAOYSA-N 462.957 2.633 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508150169 GZUNSBWUOWGLMC-SFHVURJKSA-N 486.461 2.970 30 10 JFEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)c1nccs1 1510016683 AWGKUQPZTLKDKX-OAHLLOKOSA-N 451.556 2.548 30 10 JFEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1518021491 DLBVYUCBQXBDLV-RBUKOAKNSA-N 474.993 2.693 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)CC2)c1C#N 1529118494 ANEFIFYYQLGKII-UHFFFAOYSA-N 459.341 2.509 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2Cc2cccc(N3CCOCC3)n2)c1 1539038725 TZVHDBVOFSORMG-UHFFFAOYSA-N 473.581 2.738 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2ncc(CC)s2)c1 1539043554 QXLATGVKDHGVCL-LJQANCHMSA-N 477.594 2.547 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539118742 FAVYWMMFQXTPFH-UUOWRZLLSA-N 472.590 2.837 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539123993 IJTNEUSCDUBXAX-MBSDFSHPSA-N 470.568 2.549 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539206677 UKXRDZPCKTUYGM-NRFANRHFSA-N 495.605 2.535 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1539212777 XXWIFJKJDPZWGI-NHCUHLMSSA-N 487.626 2.733 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(c2ccccc2OC)C1 1539284942 VKVCXZGNGXOUMF-DPLHUUCSSA-N 463.582 2.610 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1539385216 XEARDDRJXHZTPB-XMSQKQJNSA-N 488.633 2.684 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@@]2(C)COCCO2)n1 1539423604 AKYBSKJLHTUIKC-DEOSSOPVSA-N 484.988 2.887 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1539459537 IWWDXBUJVNTBHM-VXKWHMMOSA-N 466.678 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2COCCO2)CC1 1539488584 MECPXGOKMMXGAL-JOCHJYFZSA-N 495.624 2.670 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1539593812 AJCCPEFDTHWHQE-IBGZPJMESA-N 489.418 2.859 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1539722558 PLRNEUUBSVXUMX-OAQYLSRUSA-N 482.629 2.999 30 10 JFEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539730571 PUNARXIZHDAGGL-QFIPXVFZSA-N 463.586 2.999 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1539758879 ULSVUQLFRKRDDM-UHFFFAOYSA-N 469.634 2.961 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1539952293 ASGFMSWEHZWLJM-KRWDZBQOSA-N 475.594 2.582 30 10 JFEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540020784 MULGDOOZMJZMSS-WMZOPIPTSA-N 460.966 2.878 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C1CCCCC1 1540051755 MPYJOMNMGMDNGI-UHFFFAOYSA-N 473.647 2.960 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1occc1C 1540063963 HJIVICOQMBSDSJ-UHFFFAOYSA-N 471.587 2.582 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540862892 LPSBLAWRYOZHAU-ILWGZMRPSA-N 469.586 2.721 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540872231 HMJQCIDCKONONQ-UHFFFAOYSA-N 459.476 2.715 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(c2ccccc2C#N)CC1 1540873319 UTSIRJYPZOQKER-UHFFFAOYSA-N 476.610 2.524 30 10 JFEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1541233174 FPEVZJLBGYCGGX-JGCGQSQUSA-N 456.616 2.846 30 10 JFEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)C[C@H]1C 1547638046 CHKYYXKOKJZYSS-WOJBJXKFSA-N 451.619 2.846 30 10 JFEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCOC1 1547876373 IDKIRFWOWHHFSE-XMMPIXPASA-N 474.606 2.927 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 1587447838 QBJNUZJFBWXTOU-JOCHJYFZSA-N 458.603 2.630 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588053728 HSLUORJTAMRDBC-TYPHKJRUSA-N 472.611 2.611 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588237567 CTNVWKLLBJJNDS-AREMUKBSSA-N 468.605 2.732 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)ncn1 1588254149 RDROUQKKBFYPGD-HXUWFJFHSA-N 488.571 2.960 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1588272403 YXFSDJZCNDUTKP-JOCHJYFZSA-N 464.469 2.768 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)c(F)c1 1588646291 IOCVYIGWAYMEFV-UHFFFAOYSA-N 479.560 2.734 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCCCC2)CC1 1588967878 CDYBWSINJXCUDM-UHFFFAOYSA-N 482.604 2.838 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1589109580 GMEGWSYHYGEIKI-UHFFFAOYSA-N 490.674 2.993 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1593763227 DYMZJRUENBCOAZ-GOSISDBHSA-N 459.616 2.994 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)CC)CC1 1594497452 HHRGSAROCQOODE-HXUWFJFHSA-N 482.695 2.524 30 10 JFEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1594813707 XAGAIIOPXBYYLO-IBGZPJMESA-N 459.978 2.991 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1595116166 PWXHWRXTSULTPZ-JOCHJYFZSA-N 471.627 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1595830788 HCKRKJQMOMDXDK-WMZHIEFXSA-N 478.590 2.664 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCCC1(C)C 1611676695 BGAKJKNBCPVDRI-IQGLISFBSA-N 498.653 2.995 30 10 JFEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)n(C)n1 1612467532 CIGADCHPWNPXDJ-UHFFFAOYSA-N 461.574 2.537 30 10 JFEE C=CCn1c(SCC(=O)N2CC[C@@](OC)(C(=O)OC)C2)nnc1-c1ccc(Cl)cc1 1618142049 NXUYHKVPVKLQMQ-FQEVSTJZSA-N 450.948 2.667 30 10 JFEE Cc1cc(Br)c(Cl)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1667041047 GZECBSYPHMFBKC-UHFFFAOYSA-N 450.786 2.648 30 10 JFEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C2)nc1 1684485722 CBMQZPZPNLWPNO-QZTJIDSGSA-N 459.428 2.940 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1689901939 SEMDNVRFWMGHBB-UHFFFAOYSA-N 450.587 2.677 30 10 JFEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689903819 ABTLANPDSRDARI-UHFFFAOYSA-N 469.561 2.875 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689981941 DSHRDXGPRCDBAR-QRFRQXIXSA-N 457.556 2.916 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1689982385 LVMRMWSHEPTAGT-BHYGNILZSA-N 467.364 2.865 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689985881 DMRDMUIYMHEJNK-WBVHZDCISA-N 456.597 2.535 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1689992213 IMVJKLACBHFZKY-OAQYLSRUSA-N 467.570 2.581 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1689994377 WZZRSVFZZBVFBA-FQEVSTJZSA-N 456.612 2.963 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCc1cnn(C)n1 1690095663 YVBBOBJCYYRKLP-UHFFFAOYSA-N 458.364 2.555 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2sccc2C)CC1 1690124963 XONAWIGOHYHAKW-LJQANCHMSA-N 486.642 2.760 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)COc2ccccc2OC)CC1 1690125054 ZWCLIBPLEWBSKZ-OFNKIYASSA-N 453.587 2.999 30 10 JFEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1690232036 XBEXHBUSECGLNJ-UHFFFAOYSA-N 460.376 2.792 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1690245131 DFPGDOZJLSKUBJ-ZPAWYTMASA-N 481.663 2.607 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1690672827 FHFXBROFRVEXQY-HXUWFJFHSA-N 462.529 2.805 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690673395 VBEJVDFDCUNAQM-SFHVURJKSA-N 472.565 2.804 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690677328 UTYXELDQINUUEP-IBGZPJMESA-N 470.643 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC 1690718801 AJOIKYILHNZELG-CYBMUJFWSA-N 474.414 2.671 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1690729562 QRVWYCJJTNNPSK-UHFFFAOYSA-N 489.642 2.522 30 10 JFEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1693145564 GTDNLTOPWFWBGF-HKUYNNGSSA-N 464.492 2.779 30 10 JFEE CS[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1698330896 ADXJECYGDHWYLI-QGZVFWFLSA-N 462.583 2.875 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1705517552 XXRQBDPNNRELIR-FGZHOGPDSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705562730 IRFWSLWBGIJQHA-MQSCRBSSSA-N 499.681 2.948 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705564281 AMFRPSUJKDRSAR-MRXNPFEDSA-N 463.485 2.967 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705565880 KCUJLCOUJKICJC-FUHWJXTLSA-N 457.531 2.507 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](F)c1ccc(Br)cc1 1705589681 UYUOJRJJMVIYAS-MAUKXSAKSA-N 496.406 2.825 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1OCCC1(C)C 1705627104 VQRJTKFZLKVVSS-NRFANRHFSA-N 478.597 2.966 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cccs2)CC1 1705634338 RWFGVLXWDFCKRS-UHFFFAOYSA-N 486.548 2.793 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705646481 ZGJDIXRTXNNDRN-WAIKUNEKSA-N 458.994 2.756 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(Br)n2)CC1 1705648864 BDPRJMXTKZLXDI-UHFFFAOYSA-N 480.370 2.512 30 10 JFEE C=C(Br)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692716 QQMYKPLKTGIROH-FQEVSTJZSA-N 470.412 2.580 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705707113 FIVHOIIBTMQVIF-HXUWFJFHSA-N 456.591 2.891 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1705819121 DNWZPHBCBIWHFW-FQEVSTJZSA-N 473.599 2.605 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C)C1CC1 1705853947 KHIVIWORFWWZJM-LJQANCHMSA-N 457.579 2.946 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705857111 PQLJRNBSSHEIKR-FQEVSTJZSA-N 482.610 2.823 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705897486 NFMWCNSFNGVTRI-ZWKOTPCHSA-N 457.550 2.991 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@H](CC)C2)cc1 1705911993 WEHGZTWTADGSJJ-MISYRCLQSA-N 460.600 2.797 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)NC(C)C)C1 1705919031 VZZQBTSMNUDQJV-INIZCTEOSA-N 453.996 2.708 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705931593 UTIMSDATOPEDIU-RTBURBONSA-N 461.544 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1705933719 PYBRSLHHWCXVAC-UHFFFAOYSA-N 487.626 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1 1705937355 RERQTXAIPHLMMT-IBGZPJMESA-N 457.600 2.956 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)C1 1706517459 FQVZYESCDRTJSW-HXUWFJFHSA-N 460.529 2.931 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1709422723 IAGZBSGGABIKNX-UHFFFAOYSA-N 479.629 2.549 30 10 JFEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C[C@@H]1C 1710285863 GVZBWRISXQNJEL-UUOWRZLLSA-N 450.543 2.760 30 10 JFEE CCO[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1710412084 GDMIIMJFPJOPAK-CTNGQTDRSA-N 468.558 2.821 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2c(C)coc2C)c1 1722307091 JBLYVRIRLJXYJD-UHFFFAOYSA-N 460.538 2.715 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC[C@H]1CO 1722401208 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C=CCNC(=O)Cn1c(N2CCC(OC3CCC(C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1740964438 BYGAJCCHNXCCNO-FGJIOPLASA-N 475.634 2.797 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1740979616 AYMNPYWJRFYVIJ-JOCHJYFZSA-N 467.595 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1740987752 LSHWFWFDJCCDEL-VGSWGCGISA-N 478.640 2.718 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1740988692 MZFQOYYQWNKCGZ-HNNXBMFYSA-N 451.980 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740992861 VAOKMZDMWGJXTM-UHFFFAOYSA-N 473.643 2.785 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1741134418 AFYYKUNSQANFLH-IBGZPJMESA-N 472.553 2.605 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCc1nccs1 1741671406 ABKDTWMGEINTSW-UHFFFAOYSA-N 478.626 2.699 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)C1 1741983082 FJYDFYBRFHGPBV-QRWLVFNGSA-N 498.531 2.803 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748658441 RZCMUDRBWDBGNX-IHPCNDPISA-N 451.550 2.758 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1748667479 VBRIWMSFWNTIKJ-SFHVURJKSA-N 475.597 2.829 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1748698333 UIUDZPSKDXWALY-RBUKOAKNSA-N 458.607 2.959 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1748809759 PRMRETIJQNUUPB-FQEVSTJZSA-N 451.577 2.862 30 10 JFEE C#CCSCCn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749050153 XGFJNVJHYCPYSZ-FXAWDEMLSA-N 475.581 2.758 30 10 JFEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749098530 CVABOBOYWGEVKT-UHFFFAOYSA-N 459.352 2.652 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749214061 UASHJHIPIVWHNF-QFBILLFUSA-N 463.966 2.615 30 10 JFEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749232577 PMTCZGHOQVGHBO-UHFFFAOYSA-N 486.642 2.803 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)COC)CC1 1749259765 ASNUOGWDQDNVHH-UHFFFAOYSA-N 454.756 2.755 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(C)(F)F)c2)CC1 1749303727 NZAVYLJGJVHQMQ-IBGZPJMESA-N 481.569 2.927 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CCOCC2)C1 1749660881 VGDCTTCHTIXEEM-UHFFFAOYSA-N 455.559 2.662 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749676801 DYEMBZRMLUIDFV-KBXCAEBGSA-N 462.476 2.808 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@H](C)C1 1749725241 QBHWSVXJYLDGFG-MRXNPFEDSA-N 482.448 2.839 30 10 JFEE Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)CC1 1751815159 GOIJUPWRSXAOIB-UHFFFAOYSA-N 485.518 2.736 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1CCS(=O)(=O)CC1 1760102228 GKYCJDPVNMKZKN-CQSZACIVSA-N 481.416 2.999 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760122609 ONXWLWNGPQHQDK-VQTJNVASSA-N 471.565 2.855 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CC(F)(F)CO2)c1 1760127674 IAZFISUFSWLNRB-HXUWFJFHSA-N 466.492 2.744 30 10 JFEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760138860 KHRORUOTBDFMFA-GOSISDBHSA-N 477.581 2.955 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760183715 QQXACUHULHGJKL-HXUWFJFHSA-N 491.061 2.742 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760188466 AEWQPRSQYAXWED-OFNKIYASSA-N 493.633 2.778 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1760190121 YHKOOPRSDDOXMJ-OAQYLSRUSA-N 458.632 2.916 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1760192245 SEOSDBRKIXWLDP-IBGZPJMESA-N 458.584 2.849 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760196296 RLERUHMLDQTJAU-SFTDATJTSA-N 457.582 2.907 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1nc(C(F)(F)F)cs1 1760248234 FIIIOJSYPHNKAI-UHFFFAOYSA-N 468.461 2.615 30 10 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30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1589547372 UIMZYWAJLYBELY-WTGUMLROSA-N 477.606 2.793 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(COC)CC1 1595545324 VOVRHJDEYZDVCB-UHFFFAOYSA-N 476.622 2.558 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1595860927 YLRDWOFFLPYKRE-UHFFFAOYSA-N 473.610 2.976 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1611307575 CZZWLWKBPYTDCU-ZBFHGGJFSA-N 471.505 2.908 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1ccco1 1611676782 CQZPJQZSUKUVJJ-INIZCTEOSA-N 452.540 2.695 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(C)CC2)cc1C 1612108294 FPIOFHQIRZXJRE-QFIPXVFZSA-N 465.602 2.998 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H](C)S1 1612977463 DIMZQGDFDATGGE-ZIFCJYIRSA-N 475.640 2.884 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1617632524 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454.438 2.922 30 10 JFEE CCCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)s1 20424164 CTCPIIBMRPZTDX-REZTVBANSA-N 466.622 2.767 30 10 JFEE C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 245326578 GECHBLIUADRXSI-XUZZJYLKSA-N 468.619 2.976 30 10 JFEE C=CCN1C(=O)C(=c2sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 252666242 AWIYPVHPQAAOKG-QFIPXVFZSA-N 485.565 2.701 30 10 JFEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCC(=O)NC(C)(C)C)[nH]1 253561427 CCLHQXGOOQIRDJ-ZVHZXABRSA-N 497.629 2.588 30 10 JFEE CC(C)N(CC#N)C(=O)c1cc(I)cc(I)c1O 701292857 JHQVFJBNGVEHCO-UHFFFAOYSA-N 470.048 2.976 30 10 JFEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](COC)C(=O)O 757203782 ACABPHBMNKJYFU-VXKWHMMOSA-N 450.491 2.523 30 10 JFEE O=C(O)C#CCNC(=O)C[C@H]1COCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757564394 IGUOSXJYNKYKQZ-SBUREZEXSA-N 462.502 2.525 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 916708517 DLOQTZDZSWMJRH-HNNXBMFYSA-N 466.585 2.747 30 10 JFEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)cc1OC 1083892686 MQNBNXJWHQMNJQ-UHFFFAOYSA-N 473.471 2.613 30 10 JFEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)cc1O 1083904063 YSAJUVRPRPSJII-UHFFFAOYSA-N 477.934 2.545 30 10 JFEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286319308 XHNWQGFJERAYRI-IBGZPJMESA-N 452.559 2.712 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286386978 LJRZLCKGRAPKHU-IBGZPJMESA-N 457.600 2.564 30 10 JFEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286389156 GOMYKTSAAVJBKN-QGZVFWFLSA-N 496.490 2.512 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1286393643 LVHHPRYCCXUGKO-QGZVFWFLSA-N 493.029 2.966 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286396950 XOBVXUNXNVSWMD-GLCVTWPJSA-N 464.632 2.742 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCS(=O)(=O)C1 1286414709 ANOAJUJGEPSHTQ-OAHLLOKOSA-N 467.378 2.671 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1286430888 KJTIMSZTBNEHMY-DNVJHFABSA-N 466.607 2.811 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2=CCCCC2)CC1 1286473665 QDKVTXGNWIBKNK-UHFFFAOYSA-N 453.612 2.994 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)C(C)C)CC1 1286479572 HLCWPPRDBKVGRJ-VWLOTQADSA-N 474.650 2.555 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OCC)CC1 1286489204 JQSVALXAWYXHJF-UHFFFAOYSA-N 479.972 2.801 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2ccncc2)CC1 1286489301 NOKJOMGTRQBJTH-UHFFFAOYSA-N 488.592 2.956 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC1 1286492557 LUXNSWLHODUESN-FQEVSTJZSA-N 478.622 2.838 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286693558 UJSXAJASZUAXJK-IERDGZPVSA-N 468.023 2.692 30 10 JFEE C=CCCOCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286716536 OIHFOSFRIBJADQ-ZRNYENFQSA-N 488.633 2.604 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286745885 YRMWFTUGNTWFCU-IBGZPJMESA-N 484.601 2.877 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286780386 NPEWTLATPYCUBR-VQIMIIECSA-N 469.977 2.550 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286790771 OUHZWHODLNJVPZ-UHFFFAOYSA-N 490.612 2.510 30 10 JFEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(OCc2ccccn2)c(F)c1 1294424171 FMUBBMMBJRHYQJ-UHFFFAOYSA-N 454.483 2.867 30 10 JFEE CCN(CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1295569390 CBYJMWNWQHRRAJ-JOCHJYFZSA-N 492.672 2.715 30 10 JFEE COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc(Cl)c1OC 1299880472 IFOVXENVEIOLJZ-HXUWFJFHSA-N 450.902 2.577 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCc2nnc(C)s2)c1 1300333846 CRQQWVBTMULPKN-SFHVURJKSA-N 465.583 2.631 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1300410505 NZKJVJUUIKSICA-QGZVFWFLSA-N 463.003 2.735 30 10 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478.638 2.710 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359333537 ARYWTENKKODDJK-HXUWFJFHSA-N 491.633 2.740 30 10 JFEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 1443007066 MIICINLDTRRLIK-NRFANRHFSA-N 458.603 2.697 30 10 JFEE N#CCCN(CCC#N)C(=O)Cn1nnc(-c2ccc(Br)cc2C(F)(F)F)n1 1459092140 AWBJQNDTNWOZQW-UHFFFAOYSA-N 456.226 2.777 30 10 JFEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2COC(=O)N2CCCC2)CC1 1460074155 FFXCQKFXIFYIKP-VQTJNVASSA-N 459.616 2.544 30 10 JFEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3ccc(F)c(Br)c3)CC2)o1 1473494710 CKLGOOJBTHWTOV-LBPRGKRZSA-N 450.312 2.756 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCC(=O)NCc3ccccc3)CC2)c1C#N 1492726953 CAJYVHOAXMTFFB-UHFFFAOYSA-N 489.628 2.522 30 10 JFEE CCN(CC)Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1501909848 IBUSACDVSMESOR-SFHVURJKSA-N 473.647 2.518 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCCC1 1507531127 ARWHVVPTOZFJFS-ZWKOTPCHSA-N 458.607 2.896 30 10 JFEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(=O)N1CCOCC1 1507575911 IKOKZKOMMCYMOU-UHFFFAOYSA-N 464.339 2.555 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507633681 GATQOGQRJWYZIJ-IBGZPJMESA-N 499.662 2.766 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507634667 PAHDXLNRBPXMNO-MRXNPFEDSA-N 458.481 2.977 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCC2(C)C)n1 1507717500 VGORRECTLPZPEP-HXUWFJFHSA-N 450.591 2.988 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H]2COCCO2)CC1 1507721469 KLYIRORJGKVSMF-CTNGQTDRSA-N 474.005 2.859 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(Br)cs2)CC1 1507724800 XFBGLIAAMXQHIC-UHFFFAOYSA-N 457.401 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(C(=O)OC)CC2)CC1 1507742759 PNBJVUUFHVYZEP-UHFFFAOYSA-N 492.624 2.622 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1507743460 BZBXAWWEOWMHDY-REWPJTCUSA-N 452.628 2.841 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507756679 XMAWSGDCOMTNGF-UHFFFAOYSA-N 452.628 2.768 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507794752 FZPCMJPSRACENZ-HBMCJLEFSA-N 455.584 2.811 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507825261 UYAUQFKIKRQELG-JOCHJYFZSA-N 462.572 2.562 30 10 JFEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1)c1ccccc1 1507925003 WVINAFXGBKFJDO-CTNGQTDRSA-N 489.642 2.634 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1([S@@](C)=O)CC1 1508037218 KMHUQMFJLDBYKE-HHHXNRCGSA-N 456.410 2.596 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508049962 OEQSMCQHVVTUOZ-OAHLLOKOSA-N 481.395 2.962 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 1508129803 FIWWCVGDXHKLMM-YADHBBJMSA-N 452.603 2.793 30 10 JFEE CCN(CCCn1c(COc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1515709762 IAQARFBSVDMSCP-JOCHJYFZSA-N 478.594 2.798 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)[C@@H](C#N)C1 1517004311 GPRQIUGRGLIJIT-KRWDZBQOSA-N 454.483 2.882 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)nnc1-c1ccco1 1538982515 KFVFHZVHAXWYNK-INIZCTEOSA-N 450.586 2.632 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCc2cnn(C)c2)c1 1539039787 HWJDOXXTPIMOQF-UHFFFAOYSA-N 456.554 2.706 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](c1ccsc1)N(C)C 1539155110 RKNLDCPCIGICLQ-FQEVSTJZSA-N 472.640 2.629 30 10 JFEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539171061 FRSKYNJZLVBCDL-RDJZCZTQSA-N 456.547 2.721 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1539210844 GUIANWQBUASSDM-IBGZPJMESA-N 459.616 2.507 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1539212491 PGGNMCXQFYQIAR-FCHUYYIVSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539226421 XNMABNXEGQRZRQ-JOCHJYFZSA-N 479.606 2.668 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1(N2CCOCC2)CC1 1539250014 IBDCZYSHFCQTGU-UHFFFAOYSA-N 472.362 2.784 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 1539325628 KDZZAHOOSLUSIT-NRFANRHFSA-N 464.570 2.687 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCS1(=O)=O 1539400704 KGJWORAKTUOMJI-SFHVURJKSA-N 481.416 2.761 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCN2CCOCC2)CC1 1539462511 WNXGCJKISUHKAL-UHFFFAOYSA-N 493.439 2.641 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCC[C@H]2C)CC1 1539462904 PHCCQPQYZDSVCE-HSALFYBXSA-N 458.607 2.530 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cscc2C)CC1 1539466920 JJLGDXPIZHKNKB-UHFFFAOYSA-N 456.616 2.581 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1539642558 QXCIMLHTNKNCQA-IEBWSBKVSA-N 453.653 2.807 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1539828541 KNCQEYXRMSRXPY-ZWKOTPCHSA-N 462.595 2.710 30 10 JFEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1539867504 BFLYHNVNICGKAN-SFHVURJKSA-N 470.540 2.570 30 10 JFEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1)C1CC1 1540094180 DEHIKHGVFVTWDD-GOSISDBHSA-N 456.566 2.876 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1540136906 MLFARBDKOAJELR-FQEVSTJZSA-N 489.617 2.915 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CCC(N)=O)CC1 1540865797 SIOQVAAWLGMCKD-UHFFFAOYSA-N 481.420 2.553 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCC2(CCOCC2)C1 1540875650 SVHIHEMZNYXJPG-UHFFFAOYSA-N 455.559 2.565 30 10 JFEE C[C@H]1CN(CCCn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)C[C@@H](C)C#N)CCCO1 1541109513 GZZZHMYTSQDSEY-OALUTQOASA-N 454.575 2.813 30 10 JFEE C[C@H]1CN(CCCn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)CCCO1 1545101100 HNYLAZAQYNWYLQ-FQEVSTJZSA-N 466.634 2.670 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1547356275 IDIKQETYBKUKDI-NQIIRXRSSA-N 456.616 2.562 30 10 JFEE CCN1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C#N)CC2)CC1 1547733026 AOAPOHAOJFCPGW-UHFFFAOYSA-N 467.618 2.730 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)C1 1547819335 AQZRSMIFNDVXGW-ICSRJNTNSA-N 481.601 2.926 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1587568625 REINIWWWQUBWDH-CLOONOSVSA-N 469.586 2.778 30 10 JFEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1587831878 VRYNREMJUMRAEM-UHFFFAOYSA-N 462.554 2.811 30 10 JFEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588035689 XDPOBLOJCDRWAL-WIOPSUGQSA-N 484.622 2.659 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccco1)N1CCCC1 1588098975 FHFAZACVVCPBQC-JOCHJYFZSA-N 477.590 2.852 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1588595460 VBZADKJMPYJWBQ-NBGIEHNGSA-N 470.570 2.777 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nnc(C)s2)CC1 1588790798 CJNDZQDPFYQOFU-UHFFFAOYSA-N 467.599 2.510 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1588812735 UBTDRDPMNUIKEV-UXHICEINSA-N 458.607 2.674 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)c1cc[nH]n1 1589172001 XAUZAWXLDMGPEI-JOCHJYFZSA-N 455.469 2.692 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1589223245 HKPRNDAYZSQEQM-HSZRJFAPSA-N 473.668 2.548 30 10 JFEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1594551905 CDMUMVAWVGUTCM-WOJBJXKFSA-N 452.559 2.647 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1594752450 KSQQJMYGARVEKZ-SFHVURJKSA-N 456.595 2.756 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C)C1CC1 1595058460 MURWYAAPKGDZJR-INIZCTEOSA-N 461.592 2.950 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCS(=O)(=O)CC1 1595185308 VZYRLYLOAMYTCC-UHFFFAOYSA-N 468.526 2.665 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1595776743 DYCHLOLRXNNXEN-GOSISDBHSA-N 485.589 2.580 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595804543 CAXNZNRSRLFJKI-OAQYLSRUSA-N 468.627 2.896 30 10 JFEE CSC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1620251801 FTCUHPDBTRBFCY-IBGZPJMESA-N 492.696 2.527 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)n[nH]2)c1C 1629110573 SOLVWEOJJSMQKV-MRXNPFEDSA-N 456.547 2.584 30 10 JFEE CCOC(=O)c1c(NC(=O)NCc2cccc(N3CCCC3=O)c2)c(C#N)cn1CCOC 1649403414 DOFUNNRUWURMCB-UHFFFAOYSA-N 453.499 2.631 30 10 JFEE Cc1c(Br)cccc1CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1651560421 CMSGPKPNYOLXIT-CQSZACIVSA-N 450.358 2.655 30 10 JFEE CCc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)nc2)c2cccc(S(C)(=O)=O)c2)cc1 1661878439 IFFRBKWIJYCKIV-JOCHJYFZSA-N 455.561 2.987 30 10 JFEE C#CCN(C(=O)Nc1cc(Br)ccc1Br)[C@H]1CCS(=O)(=O)C1 1666587936 FLLGVJJQIYILPU-NSHDSACASA-N 450.152 2.866 30 10 JFEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(OCCOC)c(Br)c1 1667312555 DMCLFGJBHDTBLA-UHFFFAOYSA-N 454.342 2.965 30 10 JFEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1679243150 CVGWGRANCNLAFV-FQEVSTJZSA-N 455.580 2.907 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)C1 1681433139 CKFKVTYIGALSMN-PWIZWCRZSA-N 453.543 2.903 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCN2CCSCC2)c1 1689871867 HNAFRCDMJJQMCG-OAQYLSRUSA-N 468.627 2.625 30 10 JFEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1c(OC)cc(OC)cc1OC 1689969464 UQSKJZLKDSPQQR-UHFFFAOYSA-N 460.538 2.855 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(S(C)(=O)=O)CCC1 1689973726 NKSYOWBLRTYVMV-UHFFFAOYSA-N 467.389 2.656 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689979447 BFJZIYXCBAGNAS-UNMCSNQZSA-N 496.637 2.752 30 10 JFEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CCn1cc(Br)cn1 1690025653 ZIROIPORGZPNDI-UHFFFAOYSA-N 453.344 2.632 30 10 JFEE C#CCN(CC#CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCOC1 1690052246 DOTKHNOBLSAQAE-XMMPIXPASA-N 456.974 2.866 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CCn3ccnc3C2)n1 1690108314 UKLAZPKPBMJMGT-LJQANCHMSA-N 450.591 2.517 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2ccnn2)CC1 1690111403 AYCHCHBMPBPBEC-SFHVURJKSA-N 454.966 2.509 30 10 JFEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690130651 KLNBTAUTJUIPDF-PSWAGMNNSA-N 464.658 2.708 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC2(C)C)CC1 1690152601 QZLOXVPGDRTCDJ-IBGZPJMESA-N 451.571 2.878 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690163518 HUTPARURKCHRAM-UHFFFAOYSA-N 486.642 2.913 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690225477 AFFOPYSCJCEXMN-UHFFFAOYSA-N 474.363 2.759 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 1690235750 DHJLSRWHMILJRH-GGAORHGYSA-N 482.629 2.599 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690253255 OGWJZSKLNPEHBM-PNCHPQGNSA-N 455.559 2.514 30 10 JFEE 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C=CCNS(=O)(=O)c1cc(C(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)ccc1F 1138275850 JDFUEUXBSKJXLX-UHFFFAOYSA-N 451.451 2.502 30 10 JFEE C#CCN(C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C)[C@@H]1CCS(=O)(=O)C1 1142047128 XZYRWDDNXGOAKG-MRXNPFEDSA-N 450.358 2.514 30 10 JFEE CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1233851350 GOTUXUWUZCQRRC-APWZRJJASA-N 451.518 2.797 30 10 JFEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1266575775 BGEJPFKMRCSVOK-NVXWUHKLSA-N 457.390 2.653 30 10 JFEE C#C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 1275462650 FFRSVGFAZXSPKZ-UTKZUKDTSA-N 458.287 2.846 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@H](O)C2)c1 1286307837 AZZMZLSDKLBHIT-KNQAVFIVSA-N 480.613 2.804 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286383506 XALCLSMJCBIRNJ-CMKODMSKSA-N 484.576 2.602 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1286387930 WXGVNFXEHLWSHJ-NRFANRHFSA-N 492.605 2.754 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286391955 KCXRSECLYZEQLX-VXKWHMMOSA-N 497.596 2.887 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286431424 XMHSFRNLXKUPHO-SFHVURJKSA-N 451.518 2.656 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1286432689 UFXOWWFZLLYROU-XUZZJYLKSA-N 451.596 2.938 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncnn1C(C)(C)C 1286436381 GINXRJNVMZVMDZ-UHFFFAOYSA-N 453.547 2.825 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCC1 1286459702 GJTHGZOXQXVADF-LJQANCHMSA-N 457.600 2.638 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCO[C@H]1C(C)C 1286462241 HZLDROFKPZEOMK-CTNGQTDRSA-N 488.658 2.775 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1286475234 UDHNGTVNKNSRNB-UHFFFAOYSA-N 489.418 2.988 30 10 JFEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1286501170 OMYWLYQAMVPODN-JOCHJYFZSA-N 452.588 2.683 30 10 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452.559 2.881 30 10 JFEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1301305362 BLOWSJHUPCVRFK-UHFFFAOYSA-N 479.673 2.914 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NCC)C1 1301558171 SXKNBXYHNAQYPI-XLIONFOSSA-N 455.559 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301575286 DBLQZPNLLZQCKE-MRXNPFEDSA-N 487.548 2.627 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](NC(C)=O)C1 1301576085 RSCDWFHJKRENRK-QFBILLFUSA-N 491.683 2.837 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cccs2)C1 1302982011 DBICTPDJBIXPKM-OAQYLSRUSA-N 458.494 2.930 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 1310580312 HTFQAPSSUBJIFN-GOSISDBHSA-N 452.458 2.878 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358955442 LZQLSVMXMHLYME-LEWJYISDSA-N 457.644 2.814 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1358965732 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C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CCC(C)CC2)CC1 1705639417 NMPBQEJKFAFLIA-QHCPKHFHSA-N 499.704 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C)C2CCCC2)CC1 1705650116 MTAPFYPMJQFLBU-UHFFFAOYSA-N 466.605 2.848 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1705653054 XLKKTPNIXUPKLZ-JOCHJYFZSA-N 466.655 2.839 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705692216 CGXIOGICYKFBEZ-SJLPKXTDSA-N 481.439 2.608 30 10 JFEE C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1705720207 DPUXRPXSLAIANL-KRWDZBQOSA-N 467.636 2.886 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705737883 DQCZBENARJHSSH-IBGZPJMESA-N 465.645 2.527 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1705802007 YTHZUUDAWJFUHW-UHFFFAOYSA-N 457.600 2.811 30 10 JFEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1cc(C)oc1C 1705883681 RDEVNTBGSZMDQO-HSZRJFAPSA-N 457.531 2.762 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCCCO2)cc1 1705911665 NBHBRUXUKLIZQL-TZIWHRDSSA-N 460.600 2.799 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1705916038 IAENQJWJCUCUCU-FXAWDEMLSA-N 459.978 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705932286 APHKVWBHGJTOKR-IBGZPJMESA-N 496.637 2.787 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705934961 CDSIKDBVDURTLE-SFHVURJKSA-N 494.061 2.816 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N(Cc2ccc(C#N)cc2)C2CC2)s1 1707559676 DUTSOHRVUSUZBO-UHFFFAOYSA-N 456.597 2.976 30 10 JFEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCS1 1708175227 BRTVGJIWPVDSPS-RXVVDRJESA-N 467.643 2.701 30 10 JFEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1708342512 FRNVWSNISIJALN-OSPHWJPCSA-N 451.575 2.608 30 10 JFEE CN(C(=O)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C)C1CCCCC1 1710966663 HWLMDZJSLQZOCS-UHFFFAOYSA-N 464.618 2.960 30 10 JFEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CCOC1 1711622190 BZEDXPGIWYWPKM-CJFMBICVSA-N 466.586 2.611 30 10 JFEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(C(N)=O)nc1 1712015461 AVASSUKRUKEFNM-OAHLLOKOSA-N 451.556 2.717 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1722296109 ZTNRNBXLWBRVOA-IBGZPJMESA-N 477.613 2.541 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722303731 QYDOBYOGRGWUFL-CRAIPNDOSA-N 455.456 2.717 30 10 JFEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1722310179 HQLMWAYWNFYZFX-SFHVURJKSA-N 472.391 2.952 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CCOC)CCC1 1722380798 YQWPEIUGFAGTHY-UHFFFAOYSA-N 458.566 2.955 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1722389031 CRYISXKBYPEFOZ-UHFFFAOYSA-N 470.595 2.783 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1722428992 FCEDXWNCIILDQS-SFTDATJTSA-N 450.587 2.718 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722481956 NDURAFUAGLFRDD-UHFFFAOYSA-N 477.407 2.926 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@H]1C 1722495191 QGFDPRUYCPFBOH-KEYYUXOJSA-N 463.380 2.684 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722531206 PHWDJRSBHIASNO-FQEVSTJZSA-N 464.588 2.568 30 10 JFEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)NCC)CC1 1722531617 UOZKCTJVQHBYQN-UHFFFAOYSA-N 464.574 2.779 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1722665351 KMVHYPCYAXDTQJ-UHFFFAOYSA-N 458.357 2.574 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1 1722667891 JFAMEUVCAORMNA-UHFFFAOYSA-N 457.600 2.930 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3F)C2)C1 1722711072 SADMVVAGYMNTJV-TVFCKZIOSA-N 463.579 2.927 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 1722722315 ZTUAIYJSALPKKX-MOPGFXCFSA-N 476.622 2.685 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1722739496 WGBUTWGSLSDVRZ-WOJBJXKFSA-N 477.656 2.524 30 10 JFEE C=CCSCCn1c(N2CCO[C@@H](c3nccs3)C2)nnc1[C@]1(OCC)CCOC1 1722740055 OUNPIBIDIGQQTE-UZLBHIALSA-N 451.618 2.884 30 10 JFEE CCCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c(C)n1 1728069878 DODGQQQLSLVSOW-PGRDOPGGSA-N 459.620 2.664 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1728399280 BAHFPJPWRNFMRJ-IRLDBZIGSA-N 467.593 2.945 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](c2ccccc2)N2CCOCC2)CCOC1 1728754090 FWNXCOXXJPSJCJ-NIRIFSCTSA-N 468.602 2.742 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740569711 IPRJNIPXCVCMNO-FQEVSTJZSA-N 453.587 2.924 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCc2nccn2C1 1740608986 VOYUJHOMQGVQHB-RBUKOAKNSA-N 453.591 2.921 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622128 UWDNGCFXJUHBDX-UGKGYDQZSA-N 473.618 2.831 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740628286 PBAOJOGMSNFIEP-SVFBPWRDSA-N 474.652 2.931 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740629840 BTITURVVABHTPN-LJQANCHMSA-N 492.555 2.885 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCCC1 1740647662 XHMMAXQBCGIUKR-UHFFFAOYSA-N 481.670 2.884 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)CC=C 1740651463 HLOVECGDWUDKQG-UHFFFAOYSA-N 461.385 2.771 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)nc1 1740679005 MAQHNDOPWMLBLW-UHFFFAOYSA-N 461.545 2.689 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2c(C)nn(C)c2C)CC1 1740693419 XWJDYJVTGSYORN-UHFFFAOYSA-N 468.403 2.861 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740745764 DZNSLXRPJMHRAR-HNNXBMFYSA-N 457.369 2.930 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F 1740759366 BSLVYJIEQQOWFQ-DYXWJJEUSA-N 462.591 2.979 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1740778762 RENSFFXHRRCYFW-HXUWFJFHSA-N 457.556 2.942 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@@H]1CC 1740793393 SXBPGHQBQLPMMZ-OALUTQOASA-N 495.671 2.779 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1740851813 DTGMRUMNCUVGEG-AVRDEDQJSA-N 454.637 2.936 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740953038 UMHFSRMHQFMJHH-IBGZPJMESA-N 491.434 2.557 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(Cn2cncn2)CC1 1740954253 HAHJCDZDDIIUPP-UHFFFAOYSA-N 491.419 2.579 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740964653 SNUKXRUQQVKHJF-RHSMWYFYSA-N 453.465 2.803 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1741930514 GSWZEIUQIMXZFI-HJPURHCSSA-N 488.614 2.725 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748945654 WZVIRAKPVRMQEM-HXUWFJFHSA-N 482.560 2.875 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCCn1ccnn1 1748950052 DSDMVELOVWEBMR-UHFFFAOYSA-N 462.327 2.615 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN2CCC)CC1 1749003341 GJWFNMAICUMTIK-QFIPXVFZSA-N 479.585 2.694 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749040471 XYRVQDPBUZXZOE-GOSISDBHSA-N 481.626 2.819 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749123581 GHKCTJQOEDZAGK-OAZVVGOESA-N 476.599 2.913 30 10 JFEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749447914 PTSOTHKBKMVFLT-SFHVURJKSA-N 462.558 2.984 30 10 JFEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cc(CO)nn1 1749471496 PBSKXRAGVPIQDU-UHFFFAOYSA-N 450.316 2.643 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1749650792 HMDJRIZNWBKDBZ-IAGOWNOFSA-N 474.993 2.657 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1749650803 HOJQDMJORJFYPE-KRWDZBQOSA-N 467.549 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JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCC[C@H](C)C1 1539245223 BJBHUQQQBMJLDF-NRFANRHFSA-N 467.639 2.934 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(C)(C)O)c1 1539257032 CWEQLQNGWIVLIA-UHFFFAOYSA-N 476.606 2.587 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)[C@H](C)CC 1539315442 MSFPYRNOWLBKNU-BCHFMIIMSA-N 460.582 2.935 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC)c2ccccc2)CC1 1539489000 PKAAPFRWHRWZAG-FQEVSTJZSA-N 462.598 2.560 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1539588272 VBQCEBFALKZVKC-AWEZNQCLSA-N 485.180 2.567 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1539617026 UDCHWPMYGFTZJJ-QSFXBCCZSA-N 463.579 2.571 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539640531 IOPPDWGQKLSWKK-UWDQQESISA-N 475.634 2.652 30 10 JFEE C=C(C)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733513 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HORQDQFJVAZEDU-OAHLLOKOSA-N 462.576 2.640 30 10 JFEE N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC1 1562679133 GVRIZDIJVIYBSI-UHFFFAOYSA-N 455.465 2.663 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)CC1 1568075957 CFQAPHWYWJSFCV-HXUWFJFHSA-N 453.539 2.857 30 10 JFEE C#CCCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1587872278 CWZDSUICNJJBQQ-SIKLNZKXSA-N 454.644 2.723 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1588030357 SXGKTEUPKYKQSA-HZPDHXFCSA-N 485.532 2.911 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588050247 PSSBFIUHTZGAGM-SFHVURJKSA-N 469.611 2.879 30 10 JFEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCc2nnc(C)s2)CC1 1588865565 XQAGVOOSXRGJOQ-UHFFFAOYSA-N 451.600 2.713 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnc(C)s2)CC1 1588962096 TYPPKXPDXDNQQJ-UHFFFAOYSA-N 464.595 2.945 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1593636560 NYGZHZRFRNMTAS-UNMCSNQZSA-N 494.706 2.668 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2SC)CC1 1594097577 VKGLBZZYHCLLFQ-GOSISDBHSA-N 481.619 2.677 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1595093888 JNEKXIPHMRHLRR-NRFANRHFSA-N 470.537 2.695 30 10 JFEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1595303327 QPZYMELOGLFXHB-HJNYFJLDSA-N 498.628 2.927 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(CC1)CNC(=O)C2 1595506604 GREWBSPHCPPEFD-UHFFFAOYSA-N 463.369 2.661 30 10 JFEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595659390 XKXVHENMTJRDND-UHFFFAOYSA-N 482.629 2.653 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCC[C@@H]2C)C1 1595728418 BOKXHXQTVJLQPQ-PWRODBHTSA-N 490.649 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)CC1 1595799367 ZGXQLUVSKHTMNE-FQEVSTJZSA-N 451.637 2.575 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1595849609 CXQREWPCAMOWHK-UXHICEINSA-N 491.683 2.977 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1598152087 AQJQVZCWUROCLH-UHFFFAOYSA-N 455.536 2.603 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(Nc3ccc4[nH]c(=O)c(=O)[nH]c4c3)C[C@@H]1C)C2=O 1614472741 GVLHSVZHQFVILY-CCGUKBGLSA-N 497.891 2.806 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CCOC1 1616260034 AIDIVFPAQZSMFR-JVFUWBCBSA-N 485.585 2.555 30 10 JFEE CN(C)C(=O)C1(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)CCCC1 1617568029 GESGJBYXPHBQQD-UHFFFAOYSA-N 463.586 2.557 30 10 JFEE CN(C)C(=O)CCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1617592814 BYVOTGNAXLDHNF-MHZLTWQESA-N 492.672 2.641 30 10 JFEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1622735173 YYLKUIQTHPLFPS-UHFFFAOYSA-N 457.552 2.774 30 10 JFEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 1625998244 HRWACULGVSYNMM-ZDUSSCGKSA-N 452.458 2.742 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(CN4CCCS4(=O)=O)c3)n[nH]2)c1C 1632622125 SJHXYYQKIBSQPI-UHFFFAOYSA-N 454.556 2.864 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1635310412 IVWZCEWKXDDHDB-YWZLYKJASA-N 456.524 2.780 30 10 JFEE C=CCNC(=O)c1ccc(NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1673644333 XEAIEGUGBRSTFB-MSOLQXFVSA-N 468.476 2.682 30 10 JFEE C#C[C@H](NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1)c1ccc(Cl)cc1F 1682367711 QICGYCZAGJUVAR-IBGZPJMESA-N 458.881 2.988 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCO[C@@H]2CCOC2)c1 1689870538 REUGLVQCPVCBAM-JOCHJYFZSA-N 460.538 2.592 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C\c1ccccc1 1689893076 SZMHLFIREVIWEF-XPUAKXTGSA-N 471.627 2.954 30 10 JFEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1689929729 CUWWVILFZXTCOB-NRFANRHFSA-N 451.571 2.833 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689980020 KIMMJTPKXKUFLG-ILWGZMRPSA-N 456.612 2.873 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1689983680 FCFGNMFJJDBLQS-QGZVFWFLSA-N 477.924 2.947 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689989672 HVQUXGJSEBVUMD-MOPGFXCFSA-N 474.627 2.970 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689994355 WPXCOUVZURXPOO-RBBKRZOGSA-N 482.654 2.638 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccc(Oc2cccc(F)c2)nc1)[C@@H]1CCS(=O)(=O)C1 1689996297 GTDGOHPYPKQQJV-HXUWFJFHSA-N 499.568 2.816 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1689999525 CNVVAUILSBKMGI-NRFANRHFSA-N 470.533 2.523 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1690060620 CMACSTNQGVOXAZ-GBXCKJPGSA-N 473.643 2.913 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1690075415 KHDRQAASVOZEBV-WOJBJXKFSA-N 460.623 2.573 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1690085803 GIYGHSFTGYWXLY-XMMPIXPASA-N 471.627 2.533 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690159893 QALNSYQOJKVCQY-VMZNBEPHSA-N 450.406 2.999 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OC)C1 1690237979 DAHITLVQEJAMNH-SBHAEUEKSA-N 460.600 2.945 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1690245128 DFPGDOZJLSKUBJ-MJCUULBUSA-N 481.663 2.607 30 10 JFEE C=C(C)COCCn1c(N2CCC(C(=O)N3CCC(C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690319948 DRMMWSACOUCMPU-AREMUKBSSA-N 489.661 2.998 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690680926 AAKXVBDUFOERHO-PMACEKPBSA-N 469.542 2.924 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccnc2OCC)C1 1690689431 DFYLYXXZZIDNPX-HXUWFJFHSA-N 483.594 2.972 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCc2nc(C)cs2)C1 1690699816 JKZZPJVUKVFAJR-MSOLQXFVSA-N 465.645 2.749 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690748992 NMWIYEAXJFKFRC-GOSISDBHSA-N 461.599 2.560 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1690749743 OBMWDTUETCXNSC-UHFFFAOYSA-N 485.580 2.954 30 10 JFEE CCCN1CC[C@@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@H](C)C#N)C1 1695362897 GGASLLARDAHKBU-WOJBJXKFSA-N 451.623 2.780 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC(=O)NC(C)(C)C)c1 1705505266 KJLKMHZORLADQJ-UHFFFAOYSA-N 461.570 2.645 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705522701 DPILGBNIWBOFOE-KDURUIRLSA-N 473.021 2.820 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705523009 IUGOLUQZYOERSF-UHFFFAOYSA-N 464.599 2.680 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccco1)N1CCCC1 1705575195 YPYKPEFYIGNVKQ-BWKNWUBXSA-N 451.571 2.822 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C1CCCC1 1705614312 FCNPHDQNQDRVGE-HXUWFJFHSA-N 460.623 2.920 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705650550 TWQGTUMFGQURQI-MHZLTWQESA-N 494.709 2.857 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705662614 FDURDAIUSLPWFK-IBGZPJMESA-N 453.612 2.739 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705725719 OHENMVZALNSXRG-QZTJIDSGSA-N 462.595 2.658 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1705725836 UTWMCIBESYPCQA-NRFANRHFSA-N 475.615 2.543 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1705796263 BVRKQQRBYNVRFG-FCHUYYIVSA-N 471.627 2.599 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705875664 BPKGTSDMPYKFIU-TZIWHRDSSA-N 485.610 2.524 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1705898215 FNDHEHGBRYVIPK-RUZDIDTESA-N 469.586 2.668 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705898773 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C=C(Br)Cn1c(N2CCC(OCCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722488453 HFPDDMSXRBHANI-HXUWFJFHSA-N 473.412 2.859 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722531046 MHXGTSIBUHYHOQ-FCHUYYIVSA-N 458.559 2.939 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1722647593 WKOGKTVCCXNOSW-ZDUSSCGKSA-N 458.510 2.700 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](COC(C)C)C1 1722695842 RJMJNESZYRTZOL-MRXNPFEDSA-N 496.381 2.779 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1722702656 OPBZLQHTEDRVLG-FUHWJXTLSA-N 462.595 2.561 30 10 JFEE C=CCNC(=O)Cn1c(N2CCCN(c3cc(OC)cc(OC)c3)CC2)nnc1C(C)(C)C 1722703725 FTZDTCJOWBVOEB-UHFFFAOYSA-N 456.591 2.612 30 10 JFEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1722705848 IUOIKAZCXWKLFQ-ZDUSSCGKSA-N 458.510 2.976 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC(F)F)c2)C1 1722712871 AUNXALSXSBERCC-CVEARBPZSA-N 463.485 2.669 30 10 JFEE 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10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2Cl)C(=O)OCC)cc1 1467288598 RTOGUVKPGULCIM-IBGZPJMESA-N 450.944 2.709 30 10 JFEE COc1ccc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1C#N 1474253734 FJUHMNCEAGYJEK-UHFFFAOYSA-N 456.568 2.800 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccsc2Br)CCOC1 1502727908 DRVKSCGMCGDMQY-KDOFPFPSSA-N 468.377 2.531 30 10 JFEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1503906287 FUJRYLPIGJFOSC-HXUWFJFHSA-N 451.575 2.824 30 10 JFEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(C)C)CC1 1504536395 AIWFRYGSTQMJCE-UHFFFAOYSA-N 454.575 2.706 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2CC(=O)NCC(F)F)cc1 1505315117 HXTUKFRZHWGBBJ-UHFFFAOYSA-N 474.903 2.889 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCS(=O)(=O)C(C)(C)C)c1 1507550829 QGNZPMFGJSTJAQ-UHFFFAOYSA-N 457.600 2.815 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1507631315 CRUQRNGSLFNKHP-KNQAVFIVSA-N 463.003 2.733 30 10 JFEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1507631924 VAKLGDFJTCAODK-QPGLYAHGSA-N 494.621 2.658 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1507639434 KECALQGRXVFTDZ-QUCCMNQESA-N 494.564 2.525 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507639925 NLABDYCQJFMBEH-PMACEKPBSA-N 474.652 2.854 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1507658895 IAHZUKMTGZXQKA-BBRMVZONSA-N 470.883 2.529 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(N2CCCC2)CCOCC1 1507712048 PCEQRKUJLXZAMB-UHFFFAOYSA-N 455.578 2.739 30 10 JFEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2OCCN(C)C)CC1 1507728990 YFDKKINSYWQUEC-UHFFFAOYSA-N 450.631 2.755 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccsc2Br)CC1 1507731296 FHBWVFIMBWVEFS-MRXNPFEDSA-N 450.406 2.800 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1507775214 IURGSENXPKREHW-AWEZNQCLSA-N 457.336 2.561 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507801301 TZNQTGJUDLTSRN-DXIQSLLYSA-N 484.626 2.981 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1507835699 KASVLDWQGIHJGO-MHZLTWQESA-N 496.656 2.880 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1507844691 NNIOZUJVEAJELO-JOCHJYFZSA-N 487.670 2.874 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1507847885 RORHMXICUCEVJX-UHFFFAOYSA-N 487.004 2.609 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507848636 ZULQOLVQQQSNAP-SANMLTNESA-N 496.612 2.881 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cc(CO)nn1 1507973541 IJDZLZDRYSUWOR-UHFFFAOYSA-N 450.316 2.643 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1508145630 NPYULLZGEZGXJC-QGZVFWFLSA-N 469.652 2.961 30 10 JFEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508669545 GIMMNEWWAAKNOD-LJQANCHMSA-N 482.589 2.638 30 10 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C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539606508 HCBCFAXSFFXKHB-QGZVFWFLSA-N 452.397 2.747 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@@H](N3CCCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1539641578 MVZPIGRCVPFXCU-ADHNFCLRSA-N 472.678 2.936 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539643057 TXNUXWNFEGMZBE-XJABCFGWSA-N 478.590 2.991 30 10 JFEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1 1539765175 CVCIJVMDDJSZIL-UHFFFAOYSA-N 462.602 2.576 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCS(=O)(=O)CC)C1 1540885907 RDUMSQBAXCZURB-ZDUSSCGKSA-N 475.434 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1540908860 PSOSTFFCIOABDZ-IBGZPJMESA-N 478.590 2.850 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1540946652 GLUJTYOVAZVXAU-GOSISDBHSA-N 496.522 2.809 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1543381990 UNSBTHQHBMRRNO-RUZDIDTESA-N 451.523 2.994 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)s1 1566176718 IQUPZYOCCMESAW-MRXNPFEDSA-N 450.508 2.525 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588041605 YLFWQEVPKNMKQM-HXUWFJFHSA-N 485.013 2.956 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588045036 FTUMIRKCWGETDL-KKSFZXQISA-N 495.443 2.741 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588069317 LJGZIZDTGOIQKL-HBMCJLEFSA-N 472.611 2.607 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1588138502 DVMMYJDXBCEAAJ-DNVJHFABSA-N 466.607 2.729 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCCC2=O)cc1 1588459510 ZPTGKJYRELSOAV-GMAHTHKFSA-N 451.571 2.632 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)[C@@H](C)[C@@H](C)O3)CC1 1588751131 IRZLURHWBWATJY-ZCNNSNEGSA-N 453.587 2.690 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(C)c(OC)c2)CC1 1588751844 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C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1588040001 HHLSCABTEIDXEZ-IBGZPJMESA-N 493.427 2.927 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1588040581 OSOBWDDVEYCQTI-KRWDZBQOSA-N 489.026 2.785 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1588254168 RFUJRPLRKKOPPX-UHFFFAOYSA-N 453.852 2.652 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588898790 CDYVWCQATUTQMT-UZTOHYMASA-N 479.625 2.748 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](OC)C(C)(C)C)CC1 1588898867 GDZBQLWQLRGTOP-NRFANRHFSA-N 453.587 2.981 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1588976037 PVNWWXLDAADHNU-GOSISDBHSA-N 454.600 2.605 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCS(C)(=O)=O 1589516307 ZIIUOVXMLYSWEY-WIYYLYMNSA-N 455.584 2.955 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1589559724 UGOZVDUSXLBZJP-DENIHFKCSA-N 455.559 2.747 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(N)=O)CC1 1589560361 ZGWSVMXNIHZWEL-REWPJTCUSA-N 453.587 2.755 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1594096333 AULFNQXUKQEKRU-OAHLLOKOSA-N 455.506 2.993 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1594680540 UIRGHJLOXDQGIY-LSDHHAIUSA-N 475.541 2.911 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)CN2CCOCC2)C1 1595680719 MFOYACCWTIAQMI-HKUYNNGSSA-N 493.450 2.796 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595682202 YOIUQGANTPVLEF-GBESFXJTSA-N 493.605 2.620 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCNC(=O)[C@@H]1CC 1595766071 LMUJYDLRLPIDSG-QFIPXVFZSA-N 496.637 2.668 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1595811845 CROROBNJWRAYGQ-IBGZPJMESA-N 491.633 2.740 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCC2(F)F)C1 1611767127 HSWVKHYYNDHRIM-SQGPQFPESA-N 486.589 2.567 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)cc1OC 1615006001 BGDSYLPUEJTWCU-HXUWFJFHSA-N 484.601 2.582 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCNC(=O)c2ccco2)c1 1620348761 FVYIFCYESFCUJM-UHFFFAOYSA-N 473.459 2.524 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 1628146169 CIXGCKJDOFGPDH-UHFFFAOYSA-N 452.536 2.643 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCC(CN(C)C)CC2)cc1 1634372770 PTVXCLKIXDSMAI-UHFFFAOYSA-N 454.596 2.628 30 10 JFEE C#C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccc(Cl)cc1F 1636313057 UOOOZRPICREADC-YOEHRIQHSA-N 458.939 2.694 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)ccc1F 1651184805 JORWQMKLBSSFKP-UHFFFAOYSA-N 452.357 2.988 30 10 JFEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H](CN1CCOCC1)c1ccccc1 1653480441 HNJXJYMMWLVKSY-SFHVURJKSA-N 450.358 2.673 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1689860498 BBMHOYOSHJETEH-QPPBQGQZSA-N 461.614 2.889 30 10 JFEE C#CCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689935646 OBGFFRIIOGFRCC-RDGATRHJSA-N 462.642 2.856 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689982905 XAEBMXCIOSZDBS-IBGZPJMESA-N 482.610 2.777 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCOC(F)F)CC1 1690124647 PWRXFFDGOSOSJN-UHFFFAOYSA-N 482.576 2.777 30 10 JFEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690170308 FBYGZOHZXKYSIK-UHFFFAOYSA-N 493.637 2.613 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690312904 GJYDLMQFUIEQDM-FQEVSTJZSA-N 485.610 2.692 30 10 JFEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC(C)C)CC1 1690384248 KXROSURWQVADIX-HDICACEKSA-N 482.651 2.533 30 10 JFEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1690497907 XSWICQRNTWLHEK-GJZGRUSLSA-N 469.558 2.883 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1690583257 DZPJAVZIZHRGGO-HXUWFJFHSA-N 454.575 2.667 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CC(=O)NC)CC1 1690664324 OWERSAVKERFKLO-UHFFFAOYSA-N 489.418 2.671 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC=C(C(F)(F)F)CC1 1690665766 OTQRQZHDXBUTDY-UHFFFAOYSA-N 451.449 2.963 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)cc2)C1 1690686318 MATWPOYOIQQHGJ-MAUKXSAKSA-N 453.996 2.566 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc(C(C)(C)C)n2)C1 1690686750 SWKLQKCJHBVOPH-WBVHZDCISA-N 482.676 2.666 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)C1 1690696747 ICUVOZQOHRFFFY-IBGZPJMESA-N 493.612 2.789 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(F)(F)F 1690714044 CSBNACXSIZWGOH-UHFFFAOYSA-N 459.494 2.747 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705505591 LXXSOINBNVTJQV-OAHLLOKOSA-N 469.032 2.621 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1CCN(CC)CC1 1705581141 SZXCSYYTTLFCIC-UHFFFAOYSA-N 457.582 2.701 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1705590163 DAPYYFGHVGGDLH-SANMLTNESA-N 463.582 2.532 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705599051 GUIXDMXYKGSOQT-HSZRJFAPSA-N 458.566 2.702 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(C)cc2)CC1 1705648821 ZQVKIORLUWQWKA-QFIPXVFZSA-N 451.571 2.873 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1705658935 GDKNOAZYDVFGIK-LEWJYISDSA-N 452.628 2.554 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705661389 AFZUWXVAAHSOHU-ZWKOTPCHSA-N 491.614 2.873 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705662670 HBJXGDXLFMACKS-LJQANCHMSA-N 465.579 2.701 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1705829331 NPSXIKWLEVODES-WMZHIEFXSA-N 459.978 2.659 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](OCC=C)C1 1705896450 MZSZPDBHFUKMMQ-MRXNPFEDSA-N 476.375 2.800 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1705927669 DDLTUXJRLKBPBB-XWSJACJDSA-N 465.595 2.697 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705948363 QUGCTGLIEADEFN-FQEVSTJZSA-N 459.664 2.748 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CCOCC2)[C@H](C)C1 1705989793 CFEZCKYGBQBRIY-LJQANCHMSA-N 466.586 2.707 30 10 JFEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CCN1S(C)(=O)=O 1708061763 ACFPJOMKMRLOGI-UXHICEINSA-N 499.685 2.797 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)Nc1cccc(Cl)c1C 1708756775 HPKAIHFKNZRTSR-KRWDZBQOSA-N 487.992 2.916 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1709942666 AAZYJCPMYADHME-WIYYLYMNSA-N 456.616 2.562 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1710851680 GBAICJRRFYBKAI-UHFFFAOYSA-N 458.632 2.808 30 10 JFEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1711491132 HMQRRJOJKPJTCZ-OAQYLSRUSA-N 468.602 2.702 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1722317300 SEJPTIUDBJRHBX-FCEUIQTBSA-N 471.627 2.797 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722370498 NYZIRRPQEONKCS-IRFCIJBXSA-N 458.584 2.532 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722385249 BFMQQBKKSVMOBC-UPVQGACJSA-N 495.649 2.751 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722421469 QJVNPWNNPBWWCQ-CALCHBBNSA-N 479.423 2.621 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnccc2OC)CC1 1722443910 PQLOQFIEJHVCNM-UHFFFAOYSA-N 496.518 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1722446363 UBRIMZOIHJEDKE-LJQANCHMSA-N 487.608 2.816 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1722459592 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C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722686938 YXPPPGDJBRWEDU-IBGZPJMESA-N 468.023 2.585 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1722694450 WAJLBOXUZMUATP-UHFFFAOYSA-N 466.517 2.640 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722729691 ULEBUWDASURIGZ-INIZCTEOSA-N 489.539 2.682 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1722732597 QBABUKNAVWISBO-GOSISDBHSA-N 475.615 2.508 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)C1 1722758387 AEYRJXSMUWFYGR-QFIPXVFZSA-N 479.629 2.908 30 10 JFEE CO[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1729837830 HHRZXKKGWNAPDX-SQJMNOBHSA-N 451.619 2.808 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1740559151 KGTYXLXLDXUSDU-KRWDZBQOSA-N 471.558 2.617 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2(N(C)C)CCSC2)c1 1740563674 WYANBTPUSMNJFA-CJFMBICVSA-N 482.654 2.666 30 10 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C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1358870257 IZMQUHYGRGYYOR-GBESFXJTSA-N 473.021 2.819 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1358911908 FWMREAYDDOYYJT-UHFFFAOYSA-N 478.645 2.950 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1358960083 WQSHREQMPKCDHZ-JPYJTQIMSA-N 490.651 2.875 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1358960459 FHAXVYIEHGWRNF-QGZVFWFLSA-N 473.505 2.617 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1359023346 HRRHOQSGTCPKCQ-VQTJNVASSA-N 478.597 2.873 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN(CC)C(C)C)CC1 1359034790 CNOAXOIKSYIJQV-JOCHJYFZSA-N 487.693 2.878 30 10 JFEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[C@@H]2COCCO2)CC1 1359038070 JMKRSSQTIXSCHT-JOCHJYFZSA-N 488.032 2.812 30 10 JFEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359038309 QZQQPRBQPREXTE-UHFFFAOYSA-N 489.567 2.752 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359090213 XFTJSXGYVNILST-UEXGIBASSA-N 472.634 2.673 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)N2CCSCC2)CC1 1359179788 GPCKZQPKIIADHI-UHFFFAOYSA-N 475.684 2.958 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359183185 FOWQCLLCZAPEOE-KRWDZBQOSA-N 494.687 2.823 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359292982 CKVXGGUQBIOIHH-QZTJIDSGSA-N 472.565 2.553 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)[C@H](C)C1=O 1360031381 GAAYPYZSIZMOSB-HXUWFJFHSA-N 465.602 2.518 30 10 JFEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)C)C1 1360283915 GXUODGOSAZEYRQ-NRFANRHFSA-N 467.618 2.810 30 10 JFEE C=CC[C@H](CO)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1447028267 NYPVBTFYLZOYQX-RHGYRFJNSA-N 450.535 2.672 30 10 JFEE COc1ccc(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1OC 1504216020 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KTBBNFKHBWMKHZ-PXNSSMCTSA-N 451.564 2.543 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1539171178 HZSPESAQIAAWDX-UHFFFAOYSA-N 470.599 2.520 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1539206558 RFGMWXQDTMVKAW-JKSUJKDBSA-N 498.472 2.948 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(NC(C)=O)cc1 1539238349 WBQZMBCQJJEWKU-UHFFFAOYSA-N 489.605 2.626 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC=CCC1 1539400663 JMNQEKMCYNTPAG-IBGZPJMESA-N 456.616 2.989 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC=C)c2ccccc2)CC1 1539477828 ZVRMFDIXEADSPI-FCHUYYIVSA-N 460.582 2.555 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(CC)s1 1539540377 MWYRBNYVMRXFJK-OAQYLSRUSA-N 456.597 2.803 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1 1539616995 TXXYGDOCKDUGBG-UYAOXDASSA-N 453.591 2.827 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1539728071 CJRRUBZEJSXULT-IBGZPJMESA-N 455.559 2.756 30 10 JFEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1539759441 HYHBZLSKGZBDQT-HXUWFJFHSA-N 457.600 2.631 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2cccc(Br)c2C1 1540005458 LNEPGHURCVIEFX-GOSISDBHSA-N 496.431 2.860 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(=O)OC)C1 1540864805 LMXBLTUTPWQLFN-CYBMUJFWSA-N 480.338 2.538 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2Cl)C1 1540882712 NISCFMXHHFYXTF-UONOGXRCSA-N 457.959 2.510 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)C1 1540889422 LYCBECAFOXKAGR-INIZCTEOSA-N 486.598 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)CC 1540901593 JBTJMQXUERWBRP-UHFFFAOYSA-N 458.588 2.683 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1540907923 MOQPXWRAWJWCCK-UHFFFAOYSA-N 452.625 2.829 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)c1cc[nH]n1 1541969924 ANFALGMEEZLPLK-LSDHHAIUSA-N 456.938 2.963 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CCOC1 1547861685 GZEIQQILQOIBBB-VWLOTQADSA-N 469.586 2.881 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc(Br)cc2Cl)cc1 1556819823 DPLWEVGMGMANBJ-UHFFFAOYSA-N 456.749 2.611 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCCC2)c1 1587689583 MKBODGRMSQNELE-HHHXNRCGSA-N 494.640 2.861 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1587696960 DVMPENQYSQLSPL-HXUWFJFHSA-N 463.586 2.876 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587883488 CCCKUXBZRUAXFY-ZJSXRUAMSA-N 464.614 2.568 30 10 JFEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H](C(F)F)N1CCOCC1 1587926767 HIJDAZJRZMKVNJ-HXUWFJFHSA-N 455.513 2.761 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc2[nH]ccc2c1)[C@@H]1CCS(=O)(=O)C1 1588029120 DMRPUTRZHNSBAQ-OAQYLSRUSA-N 496.637 2.547 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1588078859 OGUONVFLSQTAFG-NRFANRHFSA-N 484.551 2.576 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(c2ccccc2F)C1 1588089329 IPSQIHZKGNHPKU-CJFMBICVSA-N 451.546 2.669 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS1 1588472266 DHENAIVPZBSJEB-MAUKXSAKSA-N 451.593 2.563 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(N2CCC(OC)CC2)CCCC1 1588620259 QRJFQOCQVYAZKZ-UHFFFAOYSA-N 454.619 2.793 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1588884583 GALJRIGSHIIVMB-LJQANCHMSA-N 464.614 2.944 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)CN2CCCC2)CC1 1588913558 MWMKUBIMJRPMLJ-LJQANCHMSA-N 452.578 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1588968308 HWIIUUBHEMNCAP-WMZHIEFXSA-N 465.598 2.983 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 1588969092 VJWPKMGTRTXGRU-BHIFYINESA-N 470.662 2.503 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1589078236 KHBHDXFOLHVMCW-UHFFFAOYSA-N 482.560 2.871 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1589088768 ICSZGKILGRZIAE-MRXNPFEDSA-N 450.490 2.651 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1595607273 CXTMETZOTPYVON-ZWOKBUDYSA-N 474.631 2.707 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1595784625 JUZKUMJLHOVAQV-IBGZPJMESA-N 455.584 2.887 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccccc1OC 1595789378 RNAWQYGVLJBPLQ-IBGZPJMESA-N 454.556 2.686 30 10 JFEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1595850945 VPPJTDSOINNWCV-MRXNPFEDSA-N 484.395 2.717 30 10 JFEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1597336199 FINPLDKLHJWSNA-PMACEKPBSA-N 452.559 2.761 30 10 JFEE Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)n1 1612369899 DHJMYVYVPLZXFZ-UHFFFAOYSA-N 468.562 2.567 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C3=C(C[C@H]1C)NC(=O)C[C@H]3c1cnn(C)c1)C2=O 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C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1705561341 SPDIETWQVOSXOS-RTBURBONSA-N 483.569 2.936 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705625200 ZWUFHVSZDIIQCN-UHFFFAOYSA-N 485.585 2.915 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCC(=O)N(C)C)CC1 1705632795 BTJMEAAMHZOICH-OAQYLSRUSA-N 452.603 2.659 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cc2)CC1 1705640146 GRXJXXRQSNZTFX-NRFANRHFSA-N 484.576 2.529 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2(O)CCOCC2)CC1 1705646316 VYIPDQCQIJKLHN-UHFFFAOYSA-N 489.979 2.635 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C(=O)NCC)c1 1705667872 XDBVGHQSINKTNZ-RUZDIDTESA-N 450.587 2.987 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1705693020 AMRZVWSDSHBOLO-VWPQPMDRSA-N 472.634 2.628 30 10 JFEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705833834 WPTIPQBTOJKSJU-UHFFFAOYSA-N 461.570 2.553 30 10 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470.574 2.880 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1722659674 ZFZVPDVNSLNGFA-GOSISDBHSA-N 460.991 2.923 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722682354 BTCYMSIDLYAYFG-UHFFFAOYSA-N 460.376 2.969 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722685610 DCQLCYUSEFKVBH-QZTJIDSGSA-N 462.595 2.514 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722690522 KBMPECKMYRNXPA-IBGZPJMESA-N 499.591 2.587 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3c(cccc3OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722704355 RRDCHTBAQSEZJK-KDURUIRLSA-N 496.612 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)C[C@H]1CC 1722728277 OXKPHMHLUOLYDQ-AZUAARDMSA-N 473.647 2.678 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722730334 OVWYNSSEPIJZFA-HXUWFJFHSA-N 470.599 2.740 30 10 JFEE CCOc1ccccc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1728890446 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2.725 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1 1301529932 OEBZVKZXSWHSOP-NRFANRHFSA-N 469.586 2.757 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1301577595 QLXVZKNWQWYSNY-LJQANCHMSA-N 498.378 2.759 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301587871 YLGQPAMJDYPPSJ-WMZOPIPTSA-N 495.671 2.881 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCc3sccc3C2)nnc1[C@@]1(OCC)CCOC1 1301596280 KEYYYDLVWLGIQA-OAQYLSRUSA-N 466.629 2.545 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccsc2)CC1 1301611360 BNPTVYOKKMTSFC-IBGZPJMESA-N 497.712 2.976 30 10 JFEE CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1303225261 BRYFMVJLAHKYIX-PZJWPPBQSA-N 457.600 2.893 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1303804990 BBYSVXFEXOYVPV-QWHCGFSZSA-N 487.399 2.771 30 10 JFEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@](C)(O)c1ccccc1Cl 1306193204 DVHVBWNPNQVEMD-QHCPKHFHSA-N 451.962 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2.995 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1359165268 LRNZVYKXJDATSG-IAGOWNOFSA-N 453.609 2.640 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359328079 SNLUVCUPZGJXTC-BHIFYINESA-N 474.627 2.805 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CC2)c1 1361129819 DXVXFCAQMLBFSB-UPTQXZAWSA-N 457.600 2.929 30 10 JFEE C=CC1(CC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CN(C(=O)OC(C)(C)C)C1 1442608246 KJWPZQRGKPTPCL-INIZCTEOSA-N 452.349 2.905 30 10 JFEE N#Cc1ccc(Nc2cccc(C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)c2)cc1 1457539402 CJPIFJIDOOKGPC-UHFFFAOYSA-N 459.550 2.878 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCOC4(CN(C(=O)OC(C)(C)C)C4)C3)n[nH]2)c1C 1468497495 WRRWXPJZMBALMJ-UHFFFAOYSA-N 456.547 2.538 30 10 JFEE C#CCn1ccc(CN(CCOC)Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)n1 1474488767 MZXPIPZCYJRKJT-UHFFFAOYSA-N 457.575 2.815 30 10 JFEE C#C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)cc1 1477377605 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C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2ncccc2C#N)CC1 1540866706 XINIPBQSKLHMCY-UHFFFAOYSA-N 492.971 2.503 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1540878124 OPWUDPXXIJTFHM-HXUWFJFHSA-N 453.568 2.967 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCc2ccco2)C1 1540896725 SDGIAQWSYOUHRG-SFHLNBCPSA-N 457.575 2.887 30 10 JFEE Cc1nc(C)c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H](C)C#N)s1 1542883395 DQYPSADTBZGIIL-AWEZNQCLSA-N 473.628 2.913 30 10 JFEE CCOc1ccc(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC)cc1 1548369158 FLSPFXMKQOFEHQ-NRFANRHFSA-N 474.483 2.982 30 10 JFEE CN(C)S(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1552889227 BQZHEGKEPYOVAP-SFHVURJKSA-N 472.999 2.557 30 10 JFEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CNOC2)c1 1556537329 OFCCMUGWSSALCH-AWEZNQCLSA-N 452.916 2.790 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(F)(F)F)ccc2N(C)CCCC)CC1 1585000141 OSXQGNRAIYAVRC-UHFFFAOYSA-N 452.521 2.839 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C1CCCCC1 1587932469 VBCHQRURECISBM-QHCPKHFHSA-N 459.616 2.596 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588046032 WBTUJUOTUVJFKR-MSOLQXFVSA-N 464.035 2.956 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588053809 IFXZZLZNWIOGBL-RBUKOAKNSA-N 461.657 2.927 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN(C)CC(F)(F)F)CC1 1588780635 UNMKRVCHEFVTLR-UHFFFAOYSA-N 494.562 2.990 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(CC)cc2)CC1 1588864921 LYGKLNJBTZMXEO-UHFFFAOYSA-N 462.623 2.830 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1588885655 YGCKBXUVSVXCLP-JOCHJYFZSA-N 466.630 2.853 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cn(CCCC)nc2C)CC1 1588929770 GFTSTDBCKKRKPL-JOCHJYFZSA-N 467.618 2.839 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1589008567 XEDMBEIKXWJMGB-UHFFFAOYSA-N 495.565 2.915 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NC)CC1 1594582171 MTTRHOKCJNUXQY-UHFFFAOYSA-N 474.631 2.514 30 10 JFEE C=CCCOCCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C 1594829999 RYHGLDZIQMJUJI-IBGZPJMESA-N 453.653 2.999 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(c2nccs2)CC1 1595577000 FQCADKBDWXHQIV-UHFFFAOYSA-N 467.599 2.641 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1595788422 AKKHCLPVEBUQQD-SFHVURJKSA-N 459.616 2.648 30 10 JFEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595901149 QCWUWKWLWFXYTP-JOCHJYFZSA-N 478.640 2.800 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1595905739 PSTUPJGVCZDZDU-QFIPXVFZSA-N 477.656 2.873 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CSCCS1 1596789137 GCHUKWPLQIBQLC-NVXWUHKLSA-N 480.685 2.640 30 10 JFEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1617827253 DRUOGSLEKKFZMU-UHFFFAOYSA-N 462.602 2.588 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1ccc(Br)cc1 1630903149 GKTBSTYEIBOCCF-INIZCTEOSA-N 452.349 2.602 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 1636715358 LCSFSNQVURYIMJ-UHFFFAOYSA-N 454.335 2.664 30 10 JFEE COc1ccc([C@@H]2CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1OC 1643033790 AZCNTHXWGUQOQU-OALUTQOASA-N 458.559 2.812 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H]4[C@@](C(F)(F)F)(CCCS4(=O)=O)C3)n[nH]2)c1C 1653468565 RBDLFVNYSGCCPD-VQIMIIECSA-N 471.505 2.658 30 10 JFEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1653534495 GPBVQHKESFFRIK-PMACEKPBSA-N 456.543 2.538 30 10 JFEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)C1 1654272148 BGWAHJOCLUQJHW-FQEVSTJZSA-N 452.559 2.813 30 10 JFEE C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1659179972 GNIJMSKIYNSESZ-IAGOWNOFSA-N 452.602 2.597 30 10 JFEE COC1CCN(C2(CNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCC2)CC1 1677703029 CYTRWESEKLJFOP-QFIPXVFZSA-N 453.587 2.776 30 10 JFEE C#C[C@@H](NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)c1ccc(F)cc1 1682344242 FUWYSNSZTYTILA-WOJBJXKFSA-N 458.534 2.753 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1689984991 ZRTUNMBVMCGANL-SFTDATJTSA-N 468.579 2.731 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993500 FMSALVWGHQEDBW-HXUWFJFHSA-N 491.683 2.857 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1689993707 JSGZJBILPQJAFC-FQEVSTJZSA-N 470.643 2.578 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1690003100 CYWONSDGOLSXPL-XMMPIXPASA-N 488.491 2.770 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCC)CC2)CC1 1690139905 DSDAJYALTXHRHJ-UHFFFAOYSA-N 473.625 2.905 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1690146600 RVUSMUMYPFXIPL-GGAORHGYSA-N 470.662 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)c2cccs2)CC1 1690150562 MOGOFQFYVAAPND-HSZRJFAPSA-N 484.651 2.569 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690157528 JAZJNCRVDIHMBX-RXVVDRJESA-N 487.601 2.751 30 10 JFEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCc1cnccn1 1690230403 BUKUMTKTFMUFIN-UHFFFAOYSA-N 453.348 2.894 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1690244555 YVNQLOAIVOKOKP-OXJNMPFZSA-N 463.579 2.583 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1690299611 ZAIKXHIQSJPTHC-UHFFFAOYSA-N 471.993 2.861 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1690312772 CGPCWXFHCCIKCG-PKOBYXMFSA-N 464.588 2.854 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCN3CCCC3)cc2)CC1 1690364625 USTOCVVUOJOEJX-HXUWFJFHSA-N 488.658 2.568 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690437360 AMWHGKHFZWECSK-LJQANCHMSA-N 499.641 2.639 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690449311 CXWZBNACQSVZBY-UHFFFAOYSA-N 457.667 2.865 30 10 JFEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690749525 GSEIPJPNFDNJML-UHFFFAOYSA-N 496.681 2.644 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690749699 MLFAWHUMKWSPKL-UHFFFAOYSA-N 461.636 2.974 30 10 JFEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1690952798 BMWBTZVVSGXICR-UHFFFAOYSA-N 465.602 2.566 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)[C@@H](C)CC)c1 1705503981 JYQIWGYEBVDTKY-QYBDOPJKSA-N 489.580 2.779 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)cn3C)n2C2CC2)n1 1705631464 GGSADKHDJPGNQP-UHFFFAOYSA-N 458.364 2.864 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNc2ccccn2)CC1 1705646668 MVPBXVAOVKOQAZ-UHFFFAOYSA-N 473.581 2.817 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1705647133 BALPOQUQXSYVGQ-JOCHJYFZSA-N 492.624 2.558 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705652031 NYICPCXAKABLOH-HSZRJFAPSA-N 466.542 2.529 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2CCOC[C@@H]2C1 1705730885 PFZPTEDUPANNMC-KRWDZBQOSA-N 492.418 2.830 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccc(C)cc2)CC1 1705769082 IMVQFIJTAFNSIR-NRFANRHFSA-N 475.615 2.545 30 10 JFEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705806744 LEUZOAMYUVMQGG-XMMPIXPASA-N 452.607 2.771 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705896628 SMYLRCACSMAWKW-CHWSQXEVSA-N 454.394 2.933 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705906813 PURNJWYJXPOTQY-UHFFFAOYSA-N 484.576 2.527 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCCOC2)C1 1705909275 RXPUTDUSIXZFMQ-UUOWRZLLSA-N 474.606 2.659 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705937989 KIQOVRQPCNVMDE-VQTJNVASSA-N 461.632 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938859 LDVLEXPRHTXUDA-ZJPYXAASSA-N 465.620 2.638 30 10 JFEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1705946876 UHLFQGVWMNXBJY-IBGZPJMESA-N 464.613 2.723 30 10 JFEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)C1 1706940483 FQZVRMQAKDQDMG-DEOSSOPVSA-N 452.559 2.637 30 10 JFEE Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)s1 1707775846 AXFQYXOVQDHJMO-UHFFFAOYSA-N 459.601 2.546 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CCO1 1708233729 AAFOLSTVMLGPSD-GOSISDBHSA-N 452.559 2.793 30 10 JFEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1708824861 DBDJPSHOVXTNBR-LJQANCHMSA-N 466.586 2.775 30 10 JFEE CCCNC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1709827079 AAUFPDQHWNOYPW-UHFFFAOYSA-N 457.966 2.518 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@@H](C)C2)c1 1722305742 LNSZTTJQYPXCJZ-ICSRJNTNSA-N 487.564 2.797 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC2([S@](C)=O)CC2)c1 1722305855 VSWIBUAGEKCNOM-XIFFEERXSA-N 482.997 2.961 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722349686 XJCURUKDLOAWDO-QGZVFWFLSA-N 462.558 2.532 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)nc1 1722381527 RIYKAGORZPMTRA-NRFANRHFSA-N 477.613 2.975 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(=O)NC)c1 1722388235 RWPPTOJLQXEMSX-OYRHEFFESA-N 476.581 2.530 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1722436236 ALVNALWFJNYUDQ-UGKGYDQZSA-N 463.504 2.725 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCNC(=O)c2occc2C)CC1 1722444872 HAKANNLHHRJFPG-UHFFFAOYSA-N 488.592 2.941 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1722459257 GVIALZPILBNXIC-YLJYHZDGSA-N 490.651 2.905 30 10 JFEE C#CCSCCn1c(N2CCC(NC(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722463508 FEXPGRQISGZZGS-RUZDIDTESA-N 483.638 2.695 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722479364 FFVANBWHQYPRQA-MRXNPFEDSA-N 464.364 2.976 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722547180 CFEVUINYDXCOHX-UHFFFAOYSA-N 458.994 2.841 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)OCCc3sccc32)CC1 1722559584 BRCIXVUDKYZEIO-QRWLVFNGSA-N 451.618 2.594 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722683228 HTZFOWBCYYZBPB-UHFFFAOYSA-N 455.588 2.931 30 10 JFEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722686134 REJJQVZCPKUTKT-LJQANCHMSA-N 460.573 2.564 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1722731517 MSSRMRJCEDYMSR-IBGZPJMESA-N 478.590 2.850 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2(C)C)CC1 1722793674 CYSXYWLROJTKFY-IBGZPJMESA-N 454.600 2.929 30 10 JFEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)S(=O)(=O)CC)CCS1 1727799338 AXNRTSDLGYWIIX-IBGZPJMESA-N 462.645 2.820 30 10 JFEE COCCN(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1730727856 GMRRPDZCQKETJL-UHFFFAOYSA-N 466.565 2.579 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCSCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740615632 IDSHQBPHQJBCOQ-HXUWFJFHSA-N 493.743 2.954 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740620938 IILXDJHZMVIXOX-RBUKOAKNSA-N 453.568 2.676 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cccnc2OCCOC)CC1 1740692127 SFLNFCRGHJXXHY-UHFFFAOYSA-N 460.582 2.731 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1740706198 SKAKUVBOFJNCTH-SFHVURJKSA-N 477.487 2.695 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740708901 FDDNDEBMOJDWHB-NQIIRXRSSA-N 487.601 2.751 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](COCC)C1 1740711923 XIBZQHITISDIML-SFHVURJKSA-N 476.672 2.776 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 1740752055 RZAPEPOKDBOFSC-NJAFHUGGSA-N 480.660 2.710 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740777657 VFUNJHFRPBXMJA-IBGZPJMESA-N 497.003 2.835 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740815545 CIPPSZAMGLMBPF-LRAJWGHMSA-N 452.987 2.764 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(SC)cc2)CC1 1740838878 ALFUOTPVXCPOMR-NRFANRHFSA-N 491.683 2.978 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)NC(C)(C)C 1740887626 DQOJIJPEXVILKD-UHFFFAOYSA-N 467.412 2.990 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O)C1CC1 1740911294 ZCONVVZIKACRIY-HXUWFJFHSA-N 484.601 2.971 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C(C)(C)C 1740933846 HRJJUZFNLFHGRT-UHFFFAOYSA-N 452.603 2.912 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740945247 RUVFIZOPXKBWIE-UHFFFAOYSA-N 481.557 2.596 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCSCC2)C1 1740975174 TURFIPKVFIWPBU-KRWDZBQOSA-N 481.464 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740986438 XKMOBWYRHNZTDB-UHFFFAOYSA-N 451.637 2.621 30 10 JFEE 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457.490 2.939 30 10 JFEE Cc1cc(N2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)ccc1Br 105838978 OTYXQAXYQQXMJI-QGZVFWFLSA-N 468.355 2.726 30 10 JFEE COc1cccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)c1OCc1cccc(C)c1 169883772 RUGFTFHSBBLDLZ-FMCGGJTJSA-N 454.508 2.722 30 10 JFEE CC[C@@H](C)NC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253569858 MWMVQOGRQBMSCJ-LVCXCXRVSA-N 455.592 2.818 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CC1 478135242 UKAKHTYYPBKVRL-UHFFFAOYSA-N 454.596 2.770 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 520132493 WNPCTYLXFRPFSN-UHFFFAOYSA-N 452.920 2.924 30 10 JFEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c1=O 523305688 WFMFYIFPENSLPA-HXUWFJFHSA-N 450.560 2.526 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccc(OC)c(Cl)c3)cc21 586331541 FIFDORJRUPVRQN-JGCGQSQUSA-N 476.938 2.830 30 10 JFEE C#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 729332207 WCBZDVHCCKCYQM-HXUWFJFHSA-N 484.578 2.814 30 10 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C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1588069571 QPJYGXFXJYJXJP-INIZCTEOSA-N 466.604 2.765 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)cc1OC 1588228544 GWSVPKNOBOYYMA-UHFFFAOYSA-N 485.592 2.981 30 10 JFEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C(C)(C)C)no1 1588673031 KXOWKCNOFIEURO-UHFFFAOYSA-N 456.572 2.689 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)cc2OCC)CC1 1588929780 GQJYTPAKRJLRKJ-NRFANRHFSA-N 451.571 2.503 30 10 JFEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1589048062 SUGAAWMCKFALAX-HXUWFJFHSA-N 463.611 2.802 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 1589069085 IMOMVLLQGSCSSD-QZTJIDSGSA-N 479.647 2.957 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1589171529 IUEZIOCADTVQEK-ATIYNZHBSA-N 464.614 2.889 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589295821 LFKWYJNZTBXLRZ-UMNHJUIQSA-N 456.357 2.524 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1589663756 QHSVAYYMKOQQGB-HXUWFJFHSA-N 469.652 2.753 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1593741269 LMZDDVHDPXCFBT-RBBKRZOGSA-N 474.650 2.682 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1594454091 BPIYWFXCEYRVRC-FXAWDEMLSA-N 472.615 2.940 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1595699526 FFSDFSIDAZJESH-NRFANRHFSA-N 491.683 2.667 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 1595723390 VVQXOXPAWHSDLR-GUDVDZBRSA-N 497.662 2.511 30 10 JFEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1595884677 QBAFTZBKKIMEIR-KBWCOIMZSA-N 476.691 2.518 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1595884767 SKCNEXVNQPNNOX-MSOLQXFVSA-N 495.646 2.895 30 10 JFEE CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1603222975 CCXAUKFIQKYSLZ-VXKWHMMOSA-N 451.619 2.957 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)c1 1616553032 PDDVKPMOKGERGN-UHFFFAOYSA-N 450.358 2.675 30 10 JFEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]2CO)c1 1626748888 GVUKBKPNUBRGSF-MRXNPFEDSA-N 450.944 2.937 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 1634998961 QCPHUILMJBDNIS-UHFFFAOYSA-N 453.564 2.706 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)C1 1644638634 WGIZXRISWMEHQJ-LJQANCHMSA-N 459.999 2.988 30 10 JFEE N#C[C@H](c1ccccc1)N1CCN(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 1653638853 GLGPAWWNZWBABY-XMMPIXPASA-N 451.615 2.510 30 10 JFEE C=C(C)CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)Cc1cnn(C(C)C)c1 1658621634 RWHAQXFIPIXJBC-UHFFFAOYSA-N 453.587 2.631 30 10 JFEE CCOC(=O)Nc1ccc(NC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1C#N 1675656627 GHNPAKYWMYVBPF-UHFFFAOYSA-N 450.499 2.915 30 10 JFEE C#C[C@H](NC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 1683678743 ZHRBTDDANYLAAW-FQEVSTJZSA-N 455.356 2.771 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1689873849 ZEOALXMOACVUNG-UHFFFAOYSA-N 466.590 2.587 30 10 JFEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1689885378 GPWMVRQMHMYXJK-HXUWFJFHSA-N 481.626 2.700 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1689920518 AKTRJZXKMUEOSL-UHFFFAOYSA-N 458.448 2.682 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689985779 BDEBCSMHWNQRIN-QHAWAJNXSA-N 484.670 2.723 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1689992036 GEVSTHAHNGNXQB-HXUWFJFHSA-N 462.591 2.697 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689992871 QIRCUCXFRLFUGM-AWEZNQCLSA-N 485.354 2.682 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CC(OCC)C2)CC1 1690110235 DGLVINNGMHGTDV-UHFFFAOYSA-N 485.032 2.822 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)NC(C)C)CC1 1690114833 IMHZBFJGYBFNLT-UHFFFAOYSA-N 477.382 2.517 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(F)CCC2)CC1 1690124330 JEKYKBLMHJFURG-IBGZPJMESA-N 476.597 2.624 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)COc2ccccc2OC)CC1 1690129442 XJLCZSXJSMCYCB-NRFANRHFSA-N 460.582 2.743 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1690189755 BAXFKMDSWOKVKI-HSZRJFAPSA-N 470.961 2.696 30 10 JFEE C=C(C)Cn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690297839 IMYCXFAHKLZXOC-MBSDFSHPSA-N 459.595 2.723 30 10 JFEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1690444186 BWTNHDIPOGDADU-JOCHJYFZSA-N 460.582 2.919 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1690518921 ZHVJOZSQGFDCNJ-HNNXBMFYSA-N 478.391 2.833 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1690666739 FJTZYKWLGXKUGW-UHFFFAOYSA-N 460.460 2.689 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2ccccc2C)CC1 1690673775 DAAMFSVNNOLKGV-UHFFFAOYSA-N 465.627 2.567 30 10 JFEE 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C#CCN(c1nnc([C@H]2CCCOC2)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705564346 BTCFLZRYRVKYBK-VQTJNVASSA-N 474.652 2.900 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705656265 UIQKVZXDPPLPQT-XMMPIXPASA-N 471.627 2.630 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1705661703 HWIOSMTYFDTZAH-CTNGQTDRSA-N 492.642 2.871 30 10 JFEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NC(C)=O)CC1 1705822221 XEVNIAHQXKJKDX-UHFFFAOYSA-N 465.646 2.714 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1705868025 ZLIWJHMHBHCFPX-RBBKRZOGSA-N 464.618 2.595 30 10 JFEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705888424 WZLNYVDHJJRQCT-KDURUIRLSA-N 467.574 2.666 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCCO1 1705895906 WQJGRQWSEJWBLV-CQSZACIVSA-N 452.328 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1705935455 SBDQQJZLYYRZRO-UHFFFAOYSA-N 469.652 2.915 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722369942 JCUWSKSCLKUONZ-INIZCTEOSA-N 486.516 2.835 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1722380557 PXFLENQDUVWBTE-HXUWFJFHSA-N 457.582 2.793 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C)n1 1722396161 FWWBTFGJJNNBDH-QFIPXVFZSA-N 478.597 2.996 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCOCc1ccc(OC)cc1 1722396950 GRYFZLQZQZZETK-UHFFFAOYSA-N 461.522 2.694 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(CN2CCOCC2)CCCCC1 1722429329 PRKMQWQQQFSJRP-QFIPXVFZSA-N 459.635 2.888 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1722440980 MQNRKECKEISQTI-GOSISDBHSA-N 482.585 2.631 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722441037 ILRYHRNGSAQZJT-NBGIEHNGSA-N 453.587 2.562 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1722447332 HYPHFNWENRKPBP-BJKOFHAPSA-N 494.640 2.797 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C)c(OC)c2)CC1 1722448520 DDOKSKQPURJRMD-UHFFFAOYSA-N 458.566 2.595 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1OC 1722493288 GVPHEYIUSFSNSM-IRLDBZIGSA-N 469.586 2.503 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNC(=O)C(C)C 1722510657 WEDDORXWCZNQPF-NYVOZVTQSA-N 469.586 2.980 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722524208 UPEHASBIBFWYLZ-LYXWCMDISA-N 477.606 2.935 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722528888 QPZZEWYBDTUYSF-GOSISDBHSA-N 453.547 2.837 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1722603922 QIVNVUBRZDEQAZ-NQIIRXRSSA-N 475.615 2.755 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)F)CC1 1722607251 QMLYEUWMTJNVLO-UHFFFAOYSA-N 468.574 2.549 30 10 JFEE CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1726789783 GNUJRQQNOIHCSH-OAQYLSRUSA-N 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453.562 2.646 30 10 JFEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740815689 HFWVBBXQGXPMPI-UHFFFAOYSA-N 497.987 2.829 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1740835302 DMZVTOMMTBQXDO-ATIYNZHBSA-N 474.694 2.995 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nnc(CC)s2)C1 1740983095 AZBUKPSRUTYBAW-CQSZACIVSA-N 459.601 2.513 30 10 JFEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 1741005899 UWZLDVXWFKVKKQ-AWEZNQCLSA-N 466.405 2.850 30 10 JFEE C[C@H](Cc1cccs1)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1741812282 GPEGTZKNNAJODF-HZPDHXFCSA-N 456.597 2.939 30 10 JFEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCOC2)C[C@@H](C)O1 1743342257 ASGZSHHXOCRKRW-SJBKTWHCSA-N 468.602 2.701 30 10 JFEE CC[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1744165201 CPGYMTIHQIOPAG-HXUWFJFHSA-N 478.601 2.831 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1748701361 HHSYLXHHJQOGID-QFBILLFUSA-N 461.408 2.996 30 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JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(C)C)C1 1749039615 XOQCBOZXIWSGOO-FQEVSTJZSA-N 455.632 2.680 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC)CC1 1749115963 XMJCTBBMRZLVKA-CTNGQTDRSA-N 481.601 2.590 30 10 JFEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1749277539 FSYMLVMBVOENIF-PMACEKPBSA-N 461.058 2.887 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749377714 ZKXVBLIRPJAKHD-FPOVZHCZSA-N 468.602 2.962 30 10 JFEE C=CC[C@H](Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1749385923 VSROLSCJFHWBPM-CZSZKKDXSA-N 453.587 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1749727127 NKLBWZGLVBMRNW-UHFFFAOYSA-N 470.599 2.672 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCCC1 1750078421 GHMRTYMVKYWGSB-NRFANRHFSA-N 451.619 2.544 30 10 JFEE Cc1nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CC2)sc1C 1751338425 HLIYNKTVUJKPNL-UHFFFAOYSA-N 464.599 2.741 30 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468.627 2.515 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](COC)C1 1705932496 VEKWTHXHFQTEAV-IBGZPJMESA-N 470.599 2.594 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938856 LDVLEXPRHTXUDA-BDXSIMOUSA-N 465.620 2.638 30 10 JFEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705941645 QJCDFYCRKCGQKZ-WMLDXEAASA-N 480.520 2.996 30 10 JFEE CC(C)c1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CCO2)o1 1706274198 DEDFWKBSFXZIQR-QFBILLFUSA-N 450.547 2.851 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCCS1(=O)=O 1706743218 FUNVRTCNJWJLNY-SFHVURJKSA-N 484.582 2.891 30 10 JFEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1711881019 DDSGBHCZJCGAEW-MBSDFSHPSA-N 473.599 2.821 30 10 JFEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)C2)cs1 1712224895 HYJCNONWGHYHNM-UHFFFAOYSA-N 465.583 2.773 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCCOC)cc1 1722292339 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481.626 2.856 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1300485810 YWLIBBHSSLCEBQ-UGKGYDQZSA-N 466.611 2.711 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300502864 YTBNITSVRDWKIO-JOCHJYFZSA-N 469.611 2.644 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(F)cc1)N(C)C 1300596344 QRXIGVKTGSZHOI-WWNPGLIZSA-N 453.562 2.907 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccnc1OCC 1300657706 QJVNTJJQELVRFT-UHFFFAOYSA-N 459.348 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(Cl)c2)CC1 1300716361 LKRAZNUSMJJKKI-DEOSSOPVSA-N 471.989 2.598 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1ccccc1CC 1300733661 ZXRQZYWZHNNSQF-UHFFFAOYSA-N 454.600 2.518 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1300974511 JOVXHAQKHAZJDQ-WIYYLYMNSA-N 477.631 2.649 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1301521079 ZEHCJTSXAMHNRW-SYYKKAFVSA-N 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453.587 2.780 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCCO2)CC1 1359042873 XDPQIEMOFBMWHG-KRWDZBQOSA-N 490.377 2.992 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1359048309 MAPQYAZQSJYFAG-UHFFFAOYSA-N 478.626 2.842 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2OC)CC1 1359295667 KEAYUMDJIONEOR-UHFFFAOYSA-N 467.961 2.631 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1359316504 PTAOJYXUJAZUMZ-XLIONFOSSA-N 459.978 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1359329156 ACUZQNQOVJSSOH-KRWDZBQOSA-N 481.500 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359330637 YAAJZSHENPCKKK-UHFFFAOYSA-N 483.638 2.767 30 10 JFEE CC(C)(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1359548462 BSBZKPZOPVGPDU-UHFFFAOYSA-N 463.590 2.721 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1359587790 BRRPVJNDKPCVCF-IQVDJAOASA-N 453.572 2.611 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2.675 30 10 JFEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740776604 UVAVDBUOKIVCSG-SFTDATJTSA-N 475.663 2.746 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)c1ccccc1 1740854352 OLZZTDDFGFOBJN-JXHRLWIKSA-N 459.616 2.865 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740944194 YYVVJYNJMVEKEO-GOSISDBHSA-N 474.612 2.724 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc21 1740959943 HRBOVOZVIAGVGA-LJQANCHMSA-N 468.558 2.583 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740974908 QCHHZTYNKXREJI-APWZRJJASA-N 466.007 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740988097 SOBFJXVVHYZQJL-HDICACEKSA-N 491.614 2.750 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2)C1 1740990449 VAMJDUGRKBULSM-OAQYLSRUSA-N 453.568 2.827 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1740997247 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C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)F)CC1 1749135983 KDYNWEQZNQUFCG-OXQOHEQNSA-N 480.585 2.638 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1749175329 DVHFOLLFUNKCHY-GOSISDBHSA-N 465.558 2.936 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1OC 1749532085 QAXCCEBKZCBZKM-HXUWFJFHSA-N 473.537 2.754 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCN(C(C)C)CC2)C1 1749703888 QWSDEWCHMXSUPX-HXUWFJFHSA-N 455.603 2.970 30 10 JFEE CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1750576696 HUHUZUBLKWXTQT-RUZDIDTESA-N 465.602 2.509 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760189368 IGWHHDQKKPEQCN-LJQANCHMSA-N 489.523 2.958 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@H]1COCCO1 1760199031 NFAJZYTUZSZLKQ-KRWDZBQOSA-N 459.344 2.595 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC(F)F)c1 1760211921 OLWHRNHKCFEVLI-QHCPKHFHSA-N 459.497 2.826 30 10 JFEE 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486.598 2.939 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1760556237 XIDRATLOYTYNPE-JOCHJYFZSA-N 473.643 2.751 30 10 JFEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 1760586904 VZVJRNVDCWMVSD-QHCPKHFHSA-N 477.613 2.816 30 10 JFEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CC1 1764886708 GJQWSJUGQOSXFO-UHFFFAOYSA-N 472.597 2.559 30 10 JFEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1765461591 ALNQPGHDQOQHPU-RUZDIDTESA-N 466.586 2.871 30 10 JFEE COc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1768653691 ASZPJPLGMFEJMP-MRXNPFEDSA-N 470.917 2.796 30 10 JFEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862522958 WNOZWZMMZCQDMS-JOCHJYFZSA-N 498.532 2.913 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 1862579809 VGSCRYYWAZWHBS-OAQYLSRUSA-N 457.479 2.682 30 10 JFEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Br)cc1 1862634445 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C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286601390 URWRQYPYXXZSIU-IAGOWNOFSA-N 468.649 2.630 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286770412 KFZJANBJBNFZLB-UHFFFAOYSA-N 489.418 2.647 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)=C(Br)C1 1286792091 MAFDHGVGPNZZKH-UHFFFAOYSA-N 471.359 2.910 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSC(C)(C)C2)cc1 1286794714 OWAZTPPLQKYULE-INIZCTEOSA-N 465.645 2.833 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1286796526 UFJHGIAYHLJUHX-HTAPYJJXSA-N 463.604 2.507 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1286799190 QVJQELLYQRUSQE-QFIPXVFZSA-N 489.642 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286819885 YVNLQRKVGITAFK-UHFFFAOYSA-N 454.600 2.735 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1287085946 GSFPPZQIKBMNIO-UMSFTDKQSA-N 482.589 2.620 30 10 JFEE CC(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1287132870 CHACETZWUIMPJK-UHFFFAOYSA-N 472.553 2.738 30 10 JFEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1 1291193477 CRWMIOSRZKSLCD-GOSISDBHSA-N 452.559 2.602 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2Cl)n1CCCC(=O)N(C)C 1291194828 FPVDFCKQTIIFDR-KRWDZBQOSA-N 494.003 2.844 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1295161488 FZHLLSJSXGLANX-NRFANRHFSA-N 484.626 2.623 30 10 JFEE CCN1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1296072837 FVDLXIFYIFOICA-JOCHJYFZSA-N 465.602 2.566 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCC(OC)CC1 1300284430 RXGFKKNQOMEBMT-SFHVURJKSA-N 473.643 2.696 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1300485013 VWVAJUVNUUSSLH-GOEBONIOSA-N 498.472 2.806 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1300502061 QGSUADYENUWIIP-QGZVFWFLSA-N 475.665 2.933 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCn1cc(Cl)cn1 1300663911 IZWHDNFQLXJHJE-UHFFFAOYSA-N 450.934 2.767 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2cc(C)cc(C)c2)CC1 1300717148 ZZCCPDOACCEWEF-MHZLTWQESA-N 495.624 2.592 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCO2)CC1 1300718734 VYXYKOABQGQQMD-GOSISDBHSA-N 457.962 2.752 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2([S@](C)=O)CCC2)CC1 1300719310 VZIWZXVUIFMRMI-YTTGMZPUSA-N 474.030 2.866 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300786181 FDWQEFBCUWBXAL-STZQEDGTSA-N 485.551 2.574 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300892972 WWOISZBLRXHTDO-COCVIAQXSA-N 467.661 2.873 30 10 JFEE C=CCOCCCNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1300909335 OHRBKIUNBGLGMG-IBGZPJMESA-N 458.584 2.822 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1301362337 CUVXBDYHYFLKRY-QGZVFWFLSA-N 463.629 2.841 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301480473 AAVNEOGYIDXENI-RTWAWAEBSA-N 452.603 2.863 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1301970535 GLMZIVYKTFZMTI-SFHVURJKSA-N 459.558 2.885 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1315425727 BDTLXCQQNJMEKC-YJBOKZPZSA-N 450.465 2.567 30 10 JFEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC12CCCC2 1353654501 CABGTDYPIVBIAG-KRWDZBQOSA-N 458.403 2.818 30 10 JFEE CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc(S(C)(=O)=O)c1 1355139331 GFNPPSQTDUSPRB-UHFFFAOYSA-N 452.492 2.885 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1358965440 VIVVGMFRYRYYED-WMZHIEFXSA-N 488.997 2.650 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358967547 MVMFDAITMPJXTR-FGZHOGPDSA-N 485.654 2.585 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1sc(C)nc1C 1358971585 AMIHLEUSOUJHAN-UHFFFAOYSA-N 453.593 2.737 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(OCC)c1 1358975864 HJJXVWGNIYXKOD-UHFFFAOYSA-N 492.605 2.767 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359074201 VFOVEJXSLZBANJ-GBXCKJPGSA-N 471.627 2.748 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359082184 BIYRTIPDOYSXFZ-LRDDRELGSA-N 466.302 2.668 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359094502 BUUGGQHJDWCNBA-OPYAIIAOSA-N 477.606 2.831 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCOCC1 1359108531 RWHHALFUOZNHRE-UHFFFAOYSA-N 490.674 2.709 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359128993 MONUWVVRYPNQDJ-IBGZPJMESA-N 457.966 2.997 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359130111 YOOBUWPKEDPBOK-MOPGFXCFSA-N 455.559 2.660 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCOCC1 1359261868 YHZYVPCXWYAXLH-FPOVZHCZSA-N 460.550 2.875 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1359301710 ILWNRPUNSTUSEN-IBGZPJMESA-N 468.508 2.892 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 1359302071 VZGURIRLEKFONK-UHFFFAOYSA-N 473.553 2.541 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359304463 YRLHQEREUBXEGD-GWTOYCKXSA-N 490.402 2.519 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2CCCCO2)C1 1359314979 LUTGHWXVWNXLMF-SFTDATJTSA-N 489.642 2.936 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359343504 UZKGASBCCVOYKM-UYAOXDASSA-N 473.647 2.611 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1359343701 YUZUWYILGSCAOK-MRXNPFEDSA-N 451.574 2.644 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1=O 1360017454 FSKZRPDOCDGTCA-SFTDATJTSA-N 479.629 2.621 30 10 JFEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc(CN4C[C@H](C)O[C@H](C)C4)cc3)CC2)o1 1464117706 AQKUMYHATVPZGA-HDICACEKSA-N 451.571 2.997 30 10 JFEE N#Cc1ccc(OCC(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)cc1Br 1465212794 AEFYVDNXLIVNJR-AWEZNQCLSA-N 450.720 2.813 30 10 JFEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CCC1 1502397417 CIUWNXPWXFWUFZ-KRWDZBQOSA-N 462.476 2.891 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2c(C)noc2C)c1 1507549267 YZAQFAGNIFITQB-QGZVFWFLSA-N 489.580 2.979 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507578978 HUFPOBOQMDDTLU-FQEVSTJZSA-N 487.674 2.507 30 10 JFEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1507591009 ICLWSGSCFVWRJU-OAQYLSRUSA-N 478.645 2.854 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1507627554 DSIRLRFKTRAQON-KRWDZBQOSA-N 490.029 2.532 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1507630321 WVRXREOARNGFCJ-ZHRRBRCNSA-N 474.970 2.726 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1507635653 ULPNDGDPTKEUMJ-IBGZPJMESA-N 469.636 2.930 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507636024 XGUNWVURVNNCDC-CTNGQTDRSA-N 482.654 2.707 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507667315 MSJCAOKJVSMQAL-JWQCQUIFSA-N 461.610 2.988 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@H]1OC 1507676241 MHQYZGWJZYHLBR-UWHLTILDSA-N 471.602 2.563 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1507701186 YVACXBWNOYKNIG-UHFFFAOYSA-N 488.976 2.808 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1507709842 BVBCNCKIWVJOIV-SFHVURJKSA-N 467.574 2.611 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCCSC2)n1 1507715731 BXYBGQMYCSMKSB-LJQANCHMSA-N 451.600 2.966 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1507721301 MSGKKFVLZMSOJA-VWLOTQADSA-N 480.657 2.846 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507756407 NJNAWGXDIBZOQP-UHFFFAOYSA-N 481.626 2.648 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507853497 JMAIFPJENDGEGT-AWEZNQCLSA-N 462.913 2.830 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507911849 BMPWKRVFCMGNJO-UHFFFAOYSA-N 451.623 2.953 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccncc1Cl 1508037255 IIXCSIZTUPZCCE-UHFFFAOYSA-N 451.922 2.656 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCOC1 1508037495 MBHBBJLVOHSINN-HXUWFJFHSA-N 467.364 2.506 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC(=O)N(C)C[C@H]1C 1508072474 IFGKBILGBULIRD-CYBMUJFWSA-N 458.975 2.782 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)c1cccs1 1508080289 NEBKFNIJEKHIMY-OAHLLOKOSA-N 473.628 2.799 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2cc(CO)nn2)C1 1508118711 WTFKITZSNJYZSO-QGZVFWFLSA-N 461.929 2.693 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1508145097 WXSUZGMWQARFTJ-JOCHJYFZSA-N 483.642 2.828 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1508148674 XFOMLDLXHDLZFH-UHFFFAOYSA-N 457.526 2.822 30 10 JFEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1508152939 VAJLNRFMBOUBKL-UHFFFAOYSA-N 479.654 2.979 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1513370751 AGOPMAUODHJSPX-QHCPKHFHSA-N 457.623 2.975 30 10 JFEE CCCNC(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1515063605 BNYCSUWBVWQQJT-KRWDZBQOSA-N 464.574 2.891 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CC1 1515483309 GILHAIILSDRMPO-UHFFFAOYSA-N 478.626 2.702 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539202015 DYKGWVTXTADRLC-FCHUYYIVSA-N 455.628 2.865 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539203760 UVELESMTNBNUGF-AZUAARDMSA-N 489.617 2.668 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1539206051 MGMQHWGNHJDUDW-IBGZPJMESA-N 487.532 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C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705933767 RGHIXZBTQGJATM-FQEVSTJZSA-N 491.017 2.994 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C)[C@H](OC)C1 1705938399 XIQWTEVIMYQGEQ-GHTZIAJQSA-N 457.600 2.743 30 10 JFEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1708650391 DDJYNAWKCBEOQC-XQBPLPMBSA-N 460.579 2.686 30 10 JFEE COc1ccccc1Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)OC 1711981471 COCFZYAYFIYSSO-SFHVURJKSA-N 476.585 2.679 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCCS1(=O)=O 1722286137 DHSXLDCYWXSRLV-LJQANCHMSA-N 459.616 2.863 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[C@@H]2CCO[C@H](C)C2)c1 1722310380 VETAWBAZCLKYLU-UYAOXDASSA-N 459.554 2.997 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1722364033 WIBZVLVGWRNOMZ-QFIPXVFZSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722366477 QFIJTFKDUOMVPZ-SJBKTWHCSA-N 486.638 2.709 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722382597 IPJKRXAHQRUNGN-RJGXRXQPSA-N 498.672 2.965 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1722412009 SYTROVTWLFUXET-OALUTQOASA-N 479.647 2.677 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccsc2Br)CC1 1722439325 XYDLAOUTDHPMPU-UHFFFAOYSA-N 457.401 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(C)C2CCCCC2)CC1 1722446178 QFOUCKVVDHXQIV-UHFFFAOYSA-N 451.619 2.894 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722476589 BFUAIDNIEZIMQW-UHFFFAOYSA-N 490.362 2.658 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722519694 OTUHTKUJIUWNNR-GOSISDBHSA-N 460.600 2.947 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722546122 VFWDWLWNJTVMQT-IIBYNOLFSA-N 458.994 2.695 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1722718076 GUOITWBNFHZWNV-QGZVFWFLSA-N 467.661 2.996 30 10 JFEE CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1727291218 DHHDURJUAPLDTQ-IBGZPJMESA-N 487.626 2.651 30 10 JFEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1730341614 FWQQPWUMIYJVRM-CVEARBPZSA-N 454.556 2.526 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CCOCC2)C1 1731179776 FZJSNGWLKFRNDO-GOSISDBHSA-N 468.302 2.830 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@@H]2CCCO2)cc1 1731182022 FSSPWMWECGGLJC-IBGZPJMESA-N 492.502 2.803 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)c1ccsc1 1740538661 OEWPTCQORALSST-NYHFZMIOSA-N 472.640 2.974 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc(C)cn2)c1 1740562540 ONODYHCGJUXBBA-SANMLTNESA-N 491.596 2.580 30 10 JFEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1740571819 UMMNPBVNJFFBBA-FQEVSTJZSA-N 452.534 2.524 30 10 JFEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740591433 PEMKSRMSDQNXGV-NRFANRHFSA-N 464.618 2.751 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740599170 RWDNJMZKSRWEJB-QGZVFWFLSA-N 453.547 2.642 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740617112 MCHROCLZMPAUFR-RTWAWAEBSA-N 486.638 2.967 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1740649107 NYHFHYOYPHULSR-AREMUKBSSA-N 473.581 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1740701353 DFTCOGJDYDGDBZ-LJQANCHMSA-N 485.032 2.533 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCSCC(F)(F)F)CC1 1740707042 MIMAOOMQMVCMJX-UHFFFAOYSA-N 486.589 2.895 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740785374 YREOFAIVKNVLRS-UHFFFAOYSA-N 470.643 2.900 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740826004 WJCHUYGXPKQUKF-MSOLQXFVSA-N 487.605 2.537 30 10 JFEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)c1ccccc1 1740854353 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C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749249440 FVHJXDWPTOGGKN-AWEZNQCLSA-N 467.357 2.891 30 10 JFEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1749508472 RVQPWOIMYJBERY-FDDCHVKYSA-N 460.600 2.739 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749669534 LRQBJDGZOBOGHJ-XLIONFOSSA-N 498.584 2.538 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2cc(C)ccc21 1749671161 ZJGDNCASSAJUJS-HXUWFJFHSA-N 482.585 2.891 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1749683815 HBZBLKZWGGAHTE-UHFFFAOYSA-N 496.015 2.865 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCNC(=O)CC2)cc1 1749684437 WWFZOHJKAVPDSO-UHFFFAOYSA-N 485.386 2.986 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749723866 BWMMMIDXNBUCCT-JTSKRJEESA-N 481.018 2.974 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749736978 VIUDPUIFCUYMLT-IBGZPJMESA-N 491.614 2.952 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nc(C)c(C)s1 1760103021 WXMAUBUBSWSMPD-HNNXBMFYSA-N 472.640 2.969 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760184500 JBJRFRJPNCHNJL-ROUUACIJSA-N 464.035 2.956 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760187845 YFELBQFPQLUGCT-NJDAHSKKSA-N 463.692 2.860 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760188127 HZQDWDJVKRCKKR-ICSRJNTNSA-N 470.599 2.576 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCCC1 1760226429 SUNSAUKQQSXJMC-GOSISDBHSA-N 457.648 2.738 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C1CCCCC1 1760247409 AHAJNGIDWYVUEA-UHFFFAOYSA-N 477.613 2.543 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCSCC2)CCCC1 1760250292 FECCUOGKGNDNAL-UHFFFAOYSA-N 471.675 2.587 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@@H]2CCCCO2)CC1 1760267682 WJXXXTQTEXDABS-NRFANRHFSA-N 481.597 2.887 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1760333525 GKFMROBIRFVXCH-TZIWHRDSSA-N 471.606 2.965 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1760337806 WEFZMIAXEUZNIX-RDJZCZTQSA-N 468.649 2.582 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1760403774 GLGVYAQNDBFHCR-UHFFFAOYSA-N 479.629 2.714 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760426626 YXWZCDQXNQRSLT-KRWDZBQOSA-N 480.660 2.608 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1760527873 KVTMPMSVFTXFET-JOCHJYFZSA-N 497.518 2.698 30 10 JFEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1760528200 VOWAWLOGYWBCMH-QGZVFWFLSA-N 453.465 2.714 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccnc(C(C)(C)C)n2)C1 1760543012 POJNQRXHYHXNON-RTBURBONSA-N 453.591 2.731 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCN2CCCO)C1 1760547888 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456.528 2.685 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(I)c(F)cc2F)n1 1128668793 VXVMGZXVZNJVDZ-UHFFFAOYSA-N 459.234 2.688 30 10 JFEE COCc1nnc(-c2cccc(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)c2)o1 1183324332 FSRGHVCPQXGFCS-UHFFFAOYSA-N 458.272 2.680 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1nc(C)cc1C 1286274447 JYSPBSZXVVOYIC-QGZVFWFLSA-N 468.631 2.908 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286282295 LTPQYZWXJOZLLY-KBPBESRZSA-N 456.399 2.991 30 10 JFEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1286323362 JXPXZXFLGRHHKZ-QFIPXVFZSA-N 465.598 2.876 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286339659 NVTCFZKIMFUOKA-UHFFFAOYSA-N 491.596 2.756 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286387532 SCEPIFGKZHHHNS-PMACEKPBSA-N 472.611 2.930 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286390512 BMDSSQXLDMJSHR-KNQAVFIVSA-N 469.655 2.987 30 10 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495.491 2.958 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOC(C)(C)C1 1286561587 BZNRDZSQZVWSSK-GGAORHGYSA-N 471.650 2.668 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1286606806 BFUKJPCQHHYPBY-UHFFFAOYSA-N 450.522 2.609 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1286633544 ITIOGRAEIMZRIY-CEXWTWQISA-N 474.606 2.597 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1286677623 GLGIUZHHLVXSPX-SFTDATJTSA-N 493.612 2.543 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)C)CC1 1286711637 NUUNESZRZWZYRW-FQEVSTJZSA-N 478.638 2.710 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(C)C)CC1 1286784211 YRKQOAHZXIXOFH-UHFFFAOYSA-N 456.591 2.574 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1286786943 MLNSFYMQDQZYGL-INIZCTEOSA-N 485.539 2.849 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N[C@H](C)c1ccccc1 1286967730 FZUHUDZYCRPAIQ-QWFCFKBJSA-N 458.632 2.905 30 10 JFEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCCS1 1289049789 AGVITXQLAMLLSN-NRFANRHFSA-N 460.629 2.574 30 10 JFEE C#CC[C@@]1(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1290637450 QVYNDVNLLKKQGX-NRFANRHFSA-N 451.545 2.798 30 10 JFEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(C)(C)C(=O)NC)cc1 1292517669 GVSHFTXXPNOBQY-SFHVURJKSA-N 487.612 2.656 30 10 JFEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2([S@@](C)=O)CCC2)c2ccccc2c1=O 1294763361 CTPIXRFWGIPSGL-UYCLUKJHSA-N 481.626 2.962 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1295311762 ASXJDVGJHIDAFG-QHCPKHFHSA-N 490.612 2.876 30 10 JFEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300372797 LHMJNTRWQPJBOM-UHFFFAOYSA-N 481.597 2.744 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300383653 DKZPOZCHOFFCTI-UXHICEINSA-N 459.616 2.966 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300481562 AWYVFCLTAQGBRG-GHTZIAJQSA-N 493.029 2.668 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccc(OC)c1)N(C)C 1300554679 HZOJXZWRIGDAQL-JOCHJYFZSA-N 471.565 2.700 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300572348 SSUPJNFBNGZTKW-QFIPXVFZSA-N 465.565 2.780 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1300590414 AYCDSHXKJCWYCU-GOSISDBHSA-N 453.591 2.763 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(N(C)C)CCCCC2)CC1 1300709668 AQTYSCANDWHOOW-UHFFFAOYSA-N 466.630 2.885 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC2(COC)CCCC2)CC1 1300726002 HFDQMTCSCBSTEG-UHFFFAOYSA-N 464.614 2.827 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1300875377 OXAHGSDSZZKPFA-SIKLNZKXSA-N 481.576 2.735 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)c1ccccc1 1301164753 WRQBHEACGSXICO-QHAWAJNXSA-N 450.587 2.833 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1c(CC)nn(C)c1OC 1301269079 WTBADOMTIWPLAX-UHFFFAOYSA-N 457.966 2.837 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCO[C@H](C)C1 1301298037 XPIRWVBUMJENDZ-WOJBJXKFSA-N 478.638 2.710 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CC1CCS(=O)(=O)CC1 1301338229 UKNSYPMHAJPXMI-UHFFFAOYSA-N 468.583 2.761 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1301367453 OLSPQXNDTHOHBL-UNMCSNQZSA-N 465.602 2.988 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccccc2C)CC1 1301482806 CEZKNWLJYRMTGP-UHFFFAOYSA-N 498.429 2.983 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301497438 WRDZHVAMPBNYDH-UHFFFAOYSA-N 477.569 2.597 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 1301767792 RKMQHGNPLPUSJN-CVDCTZTESA-N 479.629 2.621 30 10 JFEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)cc1 1303100820 HHKUCOLNEANFMK-FQEVSTJZSA-N 461.588 2.533 30 10 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QOLVQVLYLUBPJA-JOCHJYFZSA-N 480.661 2.659 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2OC)CC1 1359030690 BYVFNRSCKKYXLN-UHFFFAOYSA-N 455.360 2.848 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN(CC)C(C)C)CC1 1359034791 CNOAXOIKSYIJQV-QFIPXVFZSA-N 487.693 2.878 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359060017 HMWMUJKPUGZDKW-SZPZYZBQSA-N 485.702 2.832 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)C1CCC1 1359073223 HRMHUOUGJJFQQQ-HSZRJFAPSA-N 454.600 2.568 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359102436 BFDORBSBEMLHNM-SEINPYIVSA-N 484.597 2.815 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl)C1CC1 1359251756 VDOAQQHSOWWYDO-IBGZPJMESA-N 466.007 2.662 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359284479 ROBPUOKFXFASNI-UHFFFAOYSA-N 458.563 2.741 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 1359311979 LSSLEPQJSHMBGK-QZTJIDSGSA-N 464.611 2.701 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OCC)C1 1359330797 DESQGLYIVQMBIY-OAQYLSRUSA-N 470.599 2.737 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H](C)N3CCC[C@@H](C)C3)CC2)c1C#N 1492727025 FIQAACKGHFBMFD-MOPGFXCFSA-N 453.639 2.762 30 10 JFEE CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1503260443 DHFWAQRCOVHMLV-UHFFFAOYSA-N 465.023 2.763 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1503476102 FJFWDCZORWUODV-UHFFFAOYSA-N 450.568 2.597 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507524582 WMMSYLASQRURHT-CHWSQXEVSA-N 472.434 2.509 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COc2ccccc2O1 1507540426 ZKRDYEMWPSURMY-FHWLQOOXSA-N 483.569 2.884 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCCC[C@@H]2CC)c1 1507548559 SYOYSGBBBHHUCO-QFIPXVFZSA-N 479.629 2.737 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507563232 DPQULDWUEBFQCK-NRFANRHFSA-N 464.618 2.608 30 10 JFEE C#CCN(c1nnc(C)n1C[C@@H](F)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1507624849 FGECLKULMAFYFC-IAGOWNOFSA-N 455.353 2.687 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1507634452 NJSMWGCADOJWGK-HXUWFJFHSA-N 498.628 2.541 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1507659570 ZKLNHLQOMMBLGE-FQEVSTJZSA-N 460.582 2.554 30 10 JFEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507692180 OPBOQVOJGOOALB-JOCHJYFZSA-N 450.612 2.994 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCOc2ncccc2Cl)CC1 1507732529 OPCOLZQFNBHLTK-UHFFFAOYSA-N 482.972 2.748 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)CC1 1507735170 MUXNXOQDJZOLLV-UHFFFAOYSA-N 485.032 2.675 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1507824894 MDKLEVCECDYTPD-GUYCJALGSA-N 457.959 2.835 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507841455 WNWJWTZCVCODMB-UHFFFAOYSA-N 460.542 2.535 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](C)C1 1508034169 UFTKUJZROWTHQI-ZVDOUQERSA-N 477.631 2.875 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508080465 BGWVWUXOHBQNMU-WMZOPIPTSA-N 470.574 2.605 30 10 JFEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1509245766 HLXVCHUCYJLCBE-PMACEKPBSA-N 456.616 2.971 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1509760481 BBNQIHWOUFLGAO-XMMPIXPASA-N 492.672 2.584 30 10 JFEE Cc1cc(F)cc(-n2cc(C(=O)N3C[C@H](NC(=O)C(F)(F)F)CC[C@H]3C(F)(F)F)nn2)c1 1530002394 AMIIVNHTOUPPKR-RISCZKNCSA-N 467.345 2.929 30 10 JFEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 1531515601 AITJXHOJOSQUCM-UHFFFAOYSA-N 456.568 2.685 30 10 JFEE C=C(CNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 1535087719 DFEKMQCJCHSNJQ-UHFFFAOYSA-N 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C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1228691753 XDHMTEGXANPXCX-MSOLQXFVSA-N 456.465 2.585 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C)n2)c1 1286309252 PPFLKAXEYUYZDW-UHFFFAOYSA-N 471.565 2.516 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1286363594 PGWVKKFPVOBKFT-LVXARBLLSA-N 467.614 2.657 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1286391884 FIZSACZNPKFIRR-IBGZPJMESA-N 460.575 2.787 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1CCN(C(C)=O)CC1 1286419184 YMABLMQUFCKPHQ-UHFFFAOYSA-N 471.403 2.768 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2csc(C(C)(C)C)n2)CC1 1286471869 ONJYMSVVFAOFPP-SFHVURJKSA-N 460.648 2.754 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286534769 CQXPZYJNHIOPIC-HNAYVOBHSA-N 459.385 2.685 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCCC)CC1 1286557148 UHULASBOLQQIOJ-ONTIZHBOSA-N 472.634 2.733 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1286582429 YLEYFSVCMDDBMH-PZJWPPBQSA-N 476.647 2.538 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286610928 DMPOSBDQRAVWSJ-NRFANRHFSA-N 465.606 2.628 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286628812 KQORLVIGMQCBBN-MJGOQNOKSA-N 451.015 2.842 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(OCC)c2)CC1 1286663846 QKPHNCUMCJRTSG-JOCHJYFZSA-N 489.642 2.655 30 10 JFEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1286688775 ZGCDFPOKPRCUCQ-NRFANRHFSA-N 450.587 2.785 30 10 JFEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1286717398 WRQDSSBJYIAQEI-SQJMNOBHSA-N 454.619 2.763 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(C)=O)CC1 1286741476 HSDPSRXUUMQBLZ-JOCHJYFZSA-N 461.570 2.552 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1286746344 VZFXDKLPTIXVSZ-FQEVSTJZSA-N 453.568 2.825 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286784174 XSYWREIAXXTOBV-YADHBBJMSA-N 480.613 2.920 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1286797584 XJDVGFQGIHRQIA-UYAOXDASSA-N 482.585 2.946 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(F)(F)F)CC1 1286815994 DIRNLRVQVCDQAJ-UHFFFAOYSA-N 494.543 2.778 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccccc2CN2CCOCC2)n1 1292627406 KVDXXBWODMZNSR-UHFFFAOYSA-N 456.597 2.885 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(-c2ncccc2F)n1 1295182114 DPQIPFIZUIKOJG-INIZCTEOSA-N 456.503 2.642 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(CC(C)C)C2)c1 1300330473 ASXKKHOBMJLDPR-JOCHJYFZSA-N 493.656 2.841 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1300569250 IGTDROXBYFPONB-IBGZPJMESA-N 470.595 2.639 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1300626314 RFZJKEVQVAOWGU-ROUUACIJSA-N 458.607 2.767 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)CCCS2)CC1 1300716287 KJDWLPCFQSCPPB-BJKOFHAPSA-N 475.659 2.570 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300950347 ATNIVFBWUUNIKG-GOSISDBHSA-N 484.605 2.555 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1300973045 VERBKSLVTINOIK-IBGZPJMESA-N 473.553 2.549 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301259314 JHSGFWBXHSQFOQ-UHFFFAOYSA-N 476.647 2.670 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301477776 FFMJQRBEFZHANK-OAHLLOKOSA-N 484.910 2.942 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1301515145 QELPYGBUPWNIEF-SFHVURJKSA-N 486.592 2.677 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2(O)CCOCC2)C1 1301543974 RNESIIMEOLRODU-QGZVFWFLSA-N 480.407 2.759 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(-n2cccn2)c1 1301956058 CSMJAFFUACKKOT-QGZVFWFLSA-N 476.566 2.573 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2Cc2nc(C(F)(F)F)cs2)c1 1302989074 HQJXRSFALZBDFJ-UHFFFAOYSA-N 452.487 2.909 30 10 JFEE Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)C(C)C)CC2)no1 1304145431 CQVJRJPTWHODRK-UHFFFAOYSA-N 476.585 2.852 30 10 JFEE CCCC(=O)Nc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)cc1 1306493280 HDNSNTZDJMILSP-FQEVSTJZSA-N 467.574 2.712 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1313700131 AELULWJMDYWUFV-UHFFFAOYSA-N 486.624 2.753 30 10 JFEE COc1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)C2CC2)cc(OC)c1OC 1315298687 FUVZIATWNJNGPR-UHFFFAOYSA-N 468.558 2.627 30 10 JFEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358909216 YCTWPTIXAHVRAM-GOSISDBHSA-N 485.386 2.984 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1358913354 LVNGBVHFIPVPMH-HSALFYBXSA-N 491.658 2.723 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1358957804 ANWJCGAPYFWOOR-KRWDZBQOSA-N 458.515 2.669 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1358958185 JGYGLPKFEHOQIP-SFHVURJKSA-N 495.443 2.885 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358965451 VKWBMLOJBHMPJK-FGZHOGPDSA-N 473.618 2.509 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCS(=O)(=O)C1 1359004836 LJFJIYRIGXNBPF-AWEZNQCLSA-N 467.389 2.610 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359088152 CLWPFEUEBATOEL-OXQOHEQNSA-N 470.412 2.722 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2OC(F)F)CC1 1359159020 KRLATEOTPKQMIC-ZDUSSCGKSA-N 459.494 2.834 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1359262418 SJGNRYMHFLXPMR-HOCLYGCPSA-N 473.715 2.991 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1359282972 ZNZRQRBMBDNTOG-MBSDFSHPSA-N 465.595 2.794 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359291752 BABBUBLJBXDBKJ-IPELMVKDSA-N 472.977 2.621 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359294222 OFMIMUVNVAFRPD-KBXCAEBGSA-N 475.475 2.793 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)C2CC2)C1 1359321410 FYECOPJJWCUFCO-KHCICDEESA-N 477.606 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1359335219 DXTZLBLOSWNMPV-LJQANCHMSA-N 491.683 2.854 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 1449393892 UAQWIEYETQLBKW-MRXNPFEDSA-N 457.980 2.515 30 10 JFEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CC(=O)N(C4CN(C(=O)OC(C)(C)C)C4)C3)cc21 1467381606 QGDCAAYKXWTGCB-QGZVFWFLSA-N 454.531 2.564 30 10 JFEE C#CCN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCc2ccccc21 1473122067 NWKUFNTTWNZDLR-DEOSSOPVSA-N 451.592 2.839 30 10 JFEE CCN(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1501822595 ATVGOVYLWIKRJU-NZSAHSFTSA-N 464.661 2.921 30 10 JFEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1507560408 HYSWCVATQGVMQH-LJQANCHMSA-N 475.597 2.737 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(OCC2CC2)c1 1507606662 STVALCQABQVXAP-UHFFFAOYSA-N 451.552 2.650 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C(C)(C)C)no1 1507648748 RHGWJRRLEYDQEF-UHFFFAOYSA-N 465.583 2.645 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507671535 KNYBGUJUWRALGN-HXUWFJFHSA-N 475.626 2.597 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCOCCC=C)CC1 1507723488 KCHORNWVSVWDKD-UHFFFAOYSA-N 475.597 2.584 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(Cl)cccc2OC)CC1 1507726141 FUMMLDFXDLXICK-UHFFFAOYSA-N 453.978 2.605 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1507794012 GGBZYEFHSRFPOP-VGOFRKELSA-N 490.004 2.883 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507810828 YKKOLGCRZVWNIK-JYFHCDHNSA-N 480.657 2.645 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1508095269 UYWUIWLTAKZGEU-QGZVFWFLSA-N 471.455 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1508129940 FHFPAKKIQCSNTM-QZTJIDSGSA-N 478.018 2.555 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@@H](COC)C1 1508141753 YIACKMJMGBODJB-HXUWFJFHSA-N 484.626 2.985 30 10 JFEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1517731283 CBXIBHYPVUPYPT-OYRHEFFESA-N 493.656 2.868 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1539210838 GTIHZWSRUFLPPJ-HSZRJFAPSA-N 491.621 2.653 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1539230746 PYYCATJNCYHCFC-WOJBJXKFSA-N 476.693 2.539 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2OC(F)F)CC1 1539431066 QXLBEUVDYLPDIX-DEOSSOPVSA-N 493.530 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC=CO2)CC1 1539488630 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457.535 2.607 30 10 JFEE C=CCOc1c(Cl)cc(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1OC 1560716603 XUQHPQOVPVUKQE-UHFFFAOYSA-N 451.976 2.883 30 10 JFEE C#C[C@@H](NC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)[C@@H]1CCCO1 1564603417 NVJJWRJRWYPECY-RUENVJTFSA-N 471.451 2.561 30 10 JFEE C#C[C@@H](NC(=O)N1CCC(n2nncc2I)CC1)c1ccc(F)cc1 1564996110 OIXOAYPXDYHKJK-OAHLLOKOSA-N 453.259 2.743 30 10 JFEE C[C@H](CC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1568394916 FZFHTIJMZQARSX-KOSHJBKYSA-N 454.596 2.532 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1587883622 HITRDYBNTZLXGM-GOSISDBHSA-N 471.005 2.713 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587884093 PVFBDRJRSLMGQG-UHFFFAOYSA-N 491.596 2.944 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1588029594 JKSZDLUKPWDLIF-GHTZIAJQSA-N 452.584 2.652 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588040298 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C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690742487 SBCMZTDPSWJXST-RUZDIDTESA-N 495.653 2.947 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnn2)C1 1691224192 FKCCNLMHWSBDDS-VGOFRKELSA-N 473.557 2.516 30 10 JFEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c2ccccc2n1 1692985158 DQEHCRSSRIYHKO-SJLPKXTDSA-N 467.599 2.679 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2nnc3n2CCCCC3)c1 1705507246 WDFANMOTMCEVNO-UHFFFAOYSA-N 460.586 2.899 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCc1ccn(C)n1 1705586072 UBHXJBUSJCSERF-UHFFFAOYSA-N 453.344 2.669 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)n(C)c1=O 1705621029 OOHQIEJEKWMXSQ-GMAHTHKFSA-N 479.556 2.836 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705661618 GOKYWFMJGGUFJB-FHWLQOOXSA-N 461.632 2.984 30 10 JFEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705733201 PKDAUINTCYLNRH-LJQANCHMSA-N 484.626 2.852 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705733232 QIVOKVXEEYJSOK-HXUWFJFHSA-N 452.559 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1705934504 OBBGVOADQXEBGN-VQTJNVASSA-N 473.599 2.570 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(COc2ccccc2)CC1 1705936224 LYYBTTTUYCLIGA-FQEVSTJZSA-N 460.600 2.678 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@](C)=O)cc1 1706750985 CSVGMYVNSUMULW-FTDQSSOUSA-N 470.624 2.935 30 10 JFEE CCCNC(=O)c1cccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OCC)CCOC2)c1 1709808006 ARZKZAIYOKGJTN-BJKOFHAPSA-N 470.549 2.560 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722327774 NWCUTSINEJMHAC-UXHICEINSA-N 476.585 2.980 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722359297 LBCKAVCUZNARGY-HNNXBMFYSA-N 464.473 2.524 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1722364057 WPWWSAPBRSXYQW-HZPDHXFCSA-N 466.629 2.560 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1722367153 KQQXGPAHFRHHSA-KRWDZBQOSA-N 483.516 2.557 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC=CCC1 1722403512 UTZBHEPRXVBAQW-OYRHEFFESA-N 452.603 2.774 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1722405935 SHWJVIHIOOGNFS-NHCUHLMSSA-N 452.477 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@](C)(O)CCC)CC1 1722449538 LVJUYMCDADAYTA-AREMUKBSSA-N 462.598 2.798 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2CC2=CCCOC2)CC1 1722450404 HFHQCWJZXVZMEG-UHFFFAOYSA-N 479.581 2.568 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722465386 KZOLUOOHPRISGD-FYYLOGMGSA-N 480.638 2.642 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722466108 ZOXOHFMIQZZYOI-QGZVFWFLSA-N 456.490 3.000 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722551051 RCFJHWNETAVTPS-AHRSYUTCSA-N 451.015 2.651 30 10 JFEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1722689163 GSLCKVUNFLAQRG-NRFANRHFSA-N 462.392 2.865 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1722711718 HSEUXDKAAGUZQP-PKOBYXMFSA-N 468.524 2.718 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1722737097 SRWHACFYVXGHOL-CGTJXYLNSA-N 452.602 2.758 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C 1722868173 AIKGQJUHASEKKP-OAQYLSRUSA-N 480.661 2.543 30 10 JFEE C[C@@H](CN1CCCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1723870791 HDVQEBPTCQPAPK-UGKGYDQZSA-N 470.643 2.810 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1728292999 DLLPBVYUIROZHI-GCJKJVERSA-N 471.608 2.799 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CCC2)c1 1740563405 XUBMIYNCRAOJJK-UHFFFAOYSA-N 481.578 2.870 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740569670 HUQRFTRGWKOLDH-NRFANRHFSA-N 467.570 2.593 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740575184 LYGAGFFBDUJNNG-UHFFFAOYSA-N 472.597 2.991 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740578834 HSQUWFJVSAUHQN-BDTNDASRSA-N 456.591 2.524 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1c2ccccc2C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740626421 KQTURTSKUIIHTD-FPOVZHCZSA-N 469.655 2.945 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740627546 IGASMWLFCAVSFD-WBVHZDCISA-N 499.420 2.827 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CSCCS1 1740640894 YORNCBYLTCGFES-ZWKOTPCHSA-N 477.656 2.508 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1740659703 QUGWMSBTBVZYMO-PKTZIBPZSA-N 497.688 2.839 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1OC 1740671336 FDFBKSWIPOEOKM-SFHVURJKSA-N 486.573 2.507 30 10 JFEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1740676157 UIPRQZKPLFGDNF-AQNXPRMDSA-N 458.607 2.767 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1740696844 IDIFCHDWKWLRFV-SZPZYZBQSA-N 480.657 2.521 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC2(O)CCOCC2)CC1 1740703278 MMYOXFWPUDYBGE-HSZRJFAPSA-N 479.625 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(OCCC)c2)CC1 1740703956 DPZUQXVTOHUEOK-UHFFFAOYSA-N 475.597 2.676 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccccc2)CC1 1740707115 PGNDXQGRHNJQAB-FQEVSTJZSA-N 458.566 2.697 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)NCCC)CC1 1740736065 DVZAWHWTVMBPMG-UHFFFAOYSA-N 469.428 2.848 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740744486 UHOAKVNWOAJSIH-BBWFWOEESA-N 470.412 2.796 30 10 JFEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740784317 RGKPXNSTRCTHLF-UNMCSNQZSA-N 451.619 2.657 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1740791884 SHDRENCSEJIKHU-FQEVSTJZSA-N 461.570 2.974 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1NC(=O)CC1(C)C 1740917377 QFQPDRWZPQCMSA-XJUOHMSHSA-N 478.597 2.981 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740970782 CJSXOHSJCWHFRL-JOCHJYFZSA-N 489.642 2.993 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc(Cl)cn2)C1 1740973649 BERXJDOIBSGYSB-SFHVURJKSA-N 476.990 2.680 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740988068 SAEHNUXHHWQSCT-FQEVSTJZSA-N 478.615 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CC=CCC1 1740992667 SPVKJKKEHGKPEK-FQEVSTJZSA-N 485.658 2.845 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1746459877 GKSFMFOOKDMJCH-IEBWSBKVSA-N 476.000 2.740 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1748665107 NSCOSUGOIFQRNW-MRXNPFEDSA-N 477.569 2.517 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748820453 BWLAKMUUBXDAGD-CQSZACIVSA-N 464.560 2.810 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2Cc2ccn(C)n2)n1 1748970532 IQFONKNAUGEEAZ-UHFFFAOYSA-N 464.961 2.863 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CCOC)CC1 1748999413 ULWPUBCNDQFNAX-QFIPXVFZSA-N 482.412 2.707 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1749213922 RWTRRMVHMBYJHF-JJRVBVJISA-N 466.435 2.501 30 10 JFEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)CC1 1749256522 HILZSCLTMUHVNF-UHFFFAOYSA-N 452.559 2.507 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749391959 WFRAUJWEHBWKIJ-LJQANCHMSA-N 480.679 2.720 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1749427225 NHNYLNLIROLELM-GOSISDBHSA-N 478.663 2.747 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1749428058 XWLISWKUOKWKCC-RTWAWAEBSA-N 474.631 2.658 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1749572678 AECNVNCLXLQJOL-UHFFFAOYSA-N 470.537 2.772 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1749607637 GNAMIKWKSNWQTN-AREMUKBSSA-N 475.597 2.712 30 10 JFEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1749633509 DBHZFVMUFIOKAM-NRFANRHFSA-N 462.476 2.908 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1749651055 MRDHWEHFRXFPMO-UHFFFAOYSA-N 458.872 2.552 30 10 JFEE CC(C)(O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1750528332 BAMJMIAPFGIHMR-IBGZPJMESA-N 457.600 2.586 30 10 JFEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1751293308 HJKFZGNUUZHGKS-UHFFFAOYSA-N 452.559 2.637 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN1S(C)(=O)=O 1760098554 UGNUKXSGGQRMRU-MISYRCLQSA-N 459.616 2.917 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1760130379 HZEQCVBBBZMMID-KRWDZBQOSA-N 485.614 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30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)CCCO1 1219696726 IAVXTCUWTIWLCF-LBPRGKRZSA-N 454.325 2.863 30 10 JFEE COc1ccc(CCNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(OC)c1OC 1221721432 GMEWDOSVDDIFIE-IBGZPJMESA-N 452.511 2.621 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(OC)c1 1286284568 FCOUCSGPVXACLV-QGZVFWFLSA-N 452.584 2.947 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN(C)S(=O)(=O)CC 1286299258 UVBFRSFSCTUJMC-SFHVURJKSA-N 496.678 2.522 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Br)cs1 1286338324 LMDOOOVGLQDIRZ-GFCCVEGCSA-N 460.423 2.762 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCCOC2)C1 1286340081 UBPMWGCVQUHWEP-HSZRJFAPSA-N 457.600 2.616 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286396243 WJUOIEUXCMGCNX-GOTSBHOMSA-N 469.655 2.678 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2cccn2)cc1 1286415069 GWTWVSVNIHVZNJ-UHFFFAOYSA-N 455.547 2.576 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(N2CCCC2)CCOCC1 1286416990 UUVOQEYXHNWNOW-UHFFFAOYSA-N 463.582 2.584 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCOc1cccc(C(F)(F)F)n1 1286435869 LWYNGUXWFKOCFV-UHFFFAOYSA-N 459.432 2.878 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1286435936 NZPZJCKYKBKLIB-OAQYLSRUSA-N 473.021 2.678 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@H](F)C1 1286467694 TUWUVVDDRIOXQG-FHWLQOOXSA-N 465.570 2.811 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1286485825 ZPDWCFZMMJEYKU-UHFFFAOYSA-N 490.530 2.758 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1286488759 SSKQFGALBPJDDW-MHZLTWQESA-N 495.624 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccc(C)n2)CC1 1286489328 OHTMHQJJVTVQGK-UHFFFAOYSA-N 453.550 2.729 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286504051 ICECJYLLJNBZNX-MRXNPFEDSA-N 488.614 2.818 30 10 JFEE 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479.509 2.915 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1300483281 KGRLXCCUTRNTMD-INIZCTEOSA-N 493.561 2.872 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300487809 MHDMLEOGHBKKFK-WYEJZRMESA-N 483.638 2.861 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1300489581 PKTVRRXIPKKFQZ-LJQANCHMSA-N 460.600 2.643 30 10 JFEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCN1CCCO 1300550723 ABWRFIKFVOSWNG-QFIPXVFZSA-N 452.603 2.854 30 10 JFEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1300676014 YJCQAHZZHWRQEW-XXBNENTESA-N 470.643 2.631 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(C)(C)C2CC2)CC1 1300732845 PZUDEPNBEOTNCP-FPOVZHCZSA-N 457.619 2.794 30 10 JFEE C#CCSCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300778495 XQOXWMQNICPYQC-RUZDIDTESA-N 480.638 2.883 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)C1 1300886612 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1686669131 BNTYUEISPPWBFW-JOCHJYFZSA-N 453.591 2.522 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689996870 PZTWQKRPNJUAJT-WOJBJXKFSA-N 486.594 2.575 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)CNC(=O)OC(C)(C)C 1690043511 DHTQEAASQOQWPJ-UHFFFAOYSA-N 490.511 2.629 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2nnc(C)s2)CC1 1690115079 QOCFLBUYTDMKNH-UHFFFAOYSA-N 475.420 2.584 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1690142903 XJZQTJIIPDCXAD-UHFFFAOYSA-N 499.497 2.690 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2csc(C)n2)CC1 1690152218 CILBVSARUSJYGL-UHFFFAOYSA-N 494.621 2.839 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)CC1 1690154232 KXGGFGWLWSHRHK-BGYRXZFFSA-N 496.612 2.964 30 10 JFEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690227901 JDPXVKSGIKBXOA-LJQANCHMSA-N 451.369 2.659 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690236327 LJGSLAUDOKURGA-PBHICJAKSA-N 467.496 2.633 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1690240047 AVUCHYIVUNPQRH-GGAORHGYSA-N 483.613 2.914 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690277149 FQEBQQONKFBRFI-IBGZPJMESA-N 468.602 2.671 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1690321535 FAHFEYLHGULSQU-IEBWSBKVSA-N 490.630 2.705 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC2CC2)CC1 1690411891 WZPMUBUKIWVTCV-LJQANCHMSA-N 474.606 2.515 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690511909 FXFHMBVEZZPPMF-ROUUACIJSA-N 476.578 2.584 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nccn1C(F)F 1690620164 SHNIGGAQJSOOAL-UHFFFAOYSA-N 456.457 2.873 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690631295 ZYZIGYXFLDPSRP-AWEZNQCLSA-N 477.382 2.822 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1 1690678257 PSFQFGBDWUOMPH-QHCPKHFHSA-N 495.672 2.634 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1690691380 CLDJUMFFRNHRGF-UYAOXDASSA-N 490.626 2.959 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1Cc2cccc(Br)c2C1 1690724259 KZYWHSQGOUWKNX-OAHLLOKOSA-N 467.389 2.666 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690729773 RQSYWWLRZNXZHE-SFTDATJTSA-N 474.627 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@@]2(C)C3)nnc1[C@]1(OC(C)C)CCOC1 1690731225 DKDLIFXVTQCNHK-COPCDDAFSA-N 452.621 2.688 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCC(O)CC1 1692661157 COZMRHXSAFGVSU-IBGZPJMESA-N 489.665 2.978 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1695187268 FBZQNXZYWXINMG-QFIPXVFZSA-N 466.586 2.707 30 10 JFEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1696990426 FIEVQDCORATGSQ-MRXNPFEDSA-N 455.563 2.550 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1697697977 GDMYTMRICOLJKM-QHAWAJNXSA-N 482.585 2.972 30 10 JFEE COC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1697762157 GPXDCGZUZBAHSQ-DHIUTWEWSA-N 468.602 2.765 30 10 JFEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CC1 1698313077 DZBSIAVNUBKTKT-UHFFFAOYSA-N 472.615 2.542 30 10 JFEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1698494217 IEEUBJKEQSGXOM-FQEVSTJZSA-N 484.409 2.932 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)CN1CCN(CC)CC1 1705486175 YNAGDIHFUWTOQR-UXHICEINSA-N 454.619 2.694 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=C)Br 1705595906 KTPQNRCHCCLTDS-UHFFFAOYSA-N 451.328 2.564 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1705601039 VOXBTUUVHUJVCH-PMACEKPBSA-N 468.602 2.538 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1705625490 MEOYUVHOXNYORA-LJQANCHMSA-N 491.514 2.839 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CCC2)CC1 1705633423 QUSJEPFITSNCSY-HYHKQLJDSA-N 459.591 2.614 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](COC)C1 1705655882 QOLSVIOOBRCJAV-MRXNPFEDSA-N 481.416 2.934 30 10 JFEE C=C(Br)Cn1c(N2CCN(CCOC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705692860 VZVNCIYMIBJSQE-CALCHBBNSA-N 499.454 2.726 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1705693694 JSRVSABCJYTGEN-NQIIRXRSSA-N 484.601 2.698 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1705717882 UHRZQQLUOOWPFK-IEBWSBKVSA-N 467.661 2.954 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705725727 OMLYJMKWFPCSLS-MJGOQNOKSA-N 474.606 2.658 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1705795831 RZOYZNVDCDWDKU-VQTJNVASSA-N 480.594 2.909 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705799701 DNWRUZUMILLGFV-DLBZAZTESA-N 470.640 2.690 30 10 JFEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705886530 CINQHUPCUIOFGI-BGYRXZFFSA-N 482.629 2.775 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 1705904605 TUIHSPGUMHCICT-KRWDZBQOSA-N 462.595 2.515 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705907103 ZUWORJUGJZQXQH-JTHBVZDNSA-N 496.656 2.748 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1705907841 ZIQDFEXTCJLFCP-NLFFAJNJSA-N 453.587 2.530 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1705923967 RFHISWBUPQKRSM-DLBZAZTESA-N 466.554 2.753 30 10 JFEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1707009100 CHSXDZBYCYKMGP-SFHVURJKSA-N 454.556 2.636 30 10 JFEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1710630228 FYAVAWPKJXJCAV-HXUWFJFHSA-N 454.575 2.896 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)N(C)c1ccccc1 1710734561 HJGHURWHRWIXEB-UXHICEINSA-N 475.601 2.716 30 10 JFEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1711406152 BXXPIZHQBUMJSZ-WOJBJXKFSA-N 452.559 2.508 30 10 JFEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCNC(=O)c2ccco2)CCO1 1712885926 CSWCIECJXCCVBV-INIZCTEOSA-N 472.958 2.976 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722360674 BWRZXXVPZZVEDQ-VGSWGCGISA-N 481.018 2.641 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722462191 KVNOJAPJDBEZGD-UHFFFAOYSA-N 487.743 2.995 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cn2cccn2)CC1 1722463070 WKYTZQARLUPBED-UHFFFAOYSA-N 469.640 2.749 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722496411 XAHRJHPPFYRHPT-LXZKKBNFSA-N 484.420 2.640 30 10 JFEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1722595906 XUTUWBGXSNDWJO-MLNNCEHLSA-N 474.627 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1722726509 CFBZFDOTHUGGAG-UHFFFAOYSA-N 475.018 2.850 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722727274 HGPFQVJDXSWNQQ-PKOBYXMFSA-N 464.588 2.854 30 10 JFEE C[C@H](CN1CCCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1723870788 HDVQEBPTCQPAPK-DENIHFKCSA-N 470.643 2.810 30 10 JFEE Cc1csc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 1725027493 FKBDRBKMVJPRFS-INIZCTEOSA-N 485.639 2.857 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C1 1729764720 FQTQCJXXIUMWJQ-KRWDZBQOSA-N 450.465 2.700 30 10 JFEE COC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CCCCC1 1729939789 BFLOVGGTQUBIQC-LJQANCHMSA-N 472.977 2.940 30 10 JFEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)CC1 1731002134 ABLOAPSPMWZXJK-UHFFFAOYSA-N 486.642 2.618 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740543532 QUYBHEYCTNJTFC-KRWDZBQOSA-N 480.569 2.675 30 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JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740786843 QGYDSAUFINDRLR-UHFFFAOYSA-N 487.626 2.550 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(F)c1 1740850987 OBAMRJCIXLBSDI-FQEVSTJZSA-N 495.621 2.997 30 10 JFEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740889028 UQBBTIORONAXDC-UHFFFAOYSA-N 472.565 2.927 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1740937542 IWQNWSXFDYZIRY-FQEVSTJZSA-N 489.642 2.801 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(SC)cc2)C1 1740978978 AOTVJLOUVMMSMM-RBUKOAKNSA-N 462.641 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2OC)C1 1740985758 LBDHKAKPAONIIE-SFHVURJKSA-N 496.593 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740994169 NOTLMQYSTMOAIS-UXHICEINSA-N 464.563 2.745 30 10 JFEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1741005684 OBFUOOYEBZGXSO-HXUWFJFHSA-N 484.626 2.866 30 10 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2.584 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1595116877 WOHPLCBSHWMUOA-LJQANCHMSA-N 457.600 2.779 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCC2)CC1 1595501096 MFTAJALJDZRANL-UHFFFAOYSA-N 465.421 2.746 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1595577136 JVIYNIJNGDZTTM-FUHWJXTLSA-N 467.492 2.932 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 1595608811 YEJPASBATOWRDO-UHFFFAOYSA-N 477.569 2.889 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H]1CCOC1 1595772989 LIZCWRLEOPVCKB-HNNXBMFYSA-N 454.980 2.681 30 10 JFEE C=CCn1c(SCC(=O)Nc2[nH]nnc2C(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 1597018954 IQMIEYSQODWNGP-UHFFFAOYSA-N 458.935 2.526 30 10 JFEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)C[C@@H](C)O1 1611498903 IEELOXXPAPLIPR-SLFFLAALSA-N 451.619 2.845 30 10 JFEE C=CCN(C)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(NC(=O)CN(C)C)nc3[C@H](C)[C@@H]2[C@@H]1O 1616133696 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450.495 2.893 30 10 JFEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(N(CC)CCc3ccncc3)ncnc21 1873561900 DZLLOYKGCKQCQB-UHFFFAOYSA-N 497.607 2.834 30 10 JFEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 1875230949 UEUVBJXRIYVYSO-OAQYLSRUSA-N 482.972 2.721 30 10 JFEE N#Cc1cncc(C2=CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1 1891301618 MSPGWEBHELJRIC-UHFFFAOYSA-N 454.527 2.809 30 10 JFEE CCN[C@]1(C#N)CC[C@@H](n2cnc(I)c2I)[C@@H]1C 2058740846 FHWPFHMQGOFGCG-SBMIAAHKSA-N 470.096 2.935 30 10 JFEE CN[C@](C#N)(Cn1c(C)nc(I)c1I)C1(Cl)CC1 2085574819 IGGCYZGFYZIAKL-LLVKDONJSA-N 490.514 2.654 30 10 JFEE CC1(C)OB(c2ccnc(NS(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 2089786960 RFKAPBRSFNRLJT-UHFFFAOYSA-N 499.398 2.589 30 10 JFEE C[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2124181960 DDBJRPVDLCYIGV-IAGOWNOFSA-N 468.595 2.840 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2188775264 GHGRFZVSWNQXDC-RBUKOAKNSA-N 460.380 2.928 30 10 JFEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255665630 IISAGMOKTXRCAG-KBPBESRZSA-N 451.398 2.912 30 10 JFEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2255743510 HCWGWMMLIKGTLM-UHFFFAOYSA-N 496.844 2.825 30 10 JFEE CC(C)(C)OC(=O)N1CC(CCNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255796396 QEWVONXWMAVUIB-UHFFFAOYSA-N 472.438 2.583 30 10 JFEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255941970 LWMPTWMQNZKOGR-HIFRSBDPSA-N 472.438 2.724 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2266998246 GBPYPMWIUZWAOY-BPUTZDHNSA-N 463.409 2.960 30 10 JFEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)OC1(C)C 2267091825 KRARHLJZDZIGBP-MISYRCLQSA-N 480.374 2.628 30 10 JFEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267370345 KQUMDWQBZCLRDJ-OAHLLOKOSA-N 486.465 2.971 30 10 JFEE CC1(C)OB(c2ccccc2S(=O)(=O)NCc2cnn(Cc3ccccc3)c2)OC1(C)C 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C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)C1 2281273074 SUWYLFZPDJYXDL-JOYSXXBDSA-N 469.504 2.551 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2281803367 WFVHIPAWGBBBFR-MSOLQXFVSA-N 478.420 2.898 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281980312 ATTPIYXDJJHDKC-MUJYYYPQSA-N 460.384 2.617 30 10 JFEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282140881 BFCGROGJWRIDQG-QWHCGFSZSA-N 458.261 2.797 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282337309 GHLGYOSREPWQOV-CALCHBBNSA-N 478.420 2.758 30 10 JFEE Cc1nn(C)c(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559995 LQOBVJXSZWVFCH-INIZCTEOSA-N 464.416 2.697 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1C 2282560775 PDEPEDHOSWQISZ-HZPDHXFCSA-N 480.436 2.764 30 10 JFEE 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CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2284011718 PGVAYOBZSBVLDI-KSSFIOAISA-N 464.343 2.681 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2285211968 BFCOKNQYZXLDAK-BPQIPLTHSA-N 457.380 2.674 30 10 JFEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2296217005 PQPSKAKDCCHBKM-DLBZAZTESA-N 459.406 2.717 30 10 JFEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1 2296597369 QINACBHOUUTIJX-QHCPKHFHSA-N 496.560 2.856 30 10 JFEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)c1C 2297469202 ZAXYJMUGFDYMOA-OAQYLSRUSA-N 469.538 2.800 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330731954 PKTWYQCKCUEQAN-UHFFFAOYSA-N 471.474 2.575 30 10 JFEE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2339453227 RFINVBZVUVVNHP-UHFFFAOYSA-N 468.743 2.924 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C 2362339793 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C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4c(ccn4CC(=O)N4CCOCC4)c3)cc2C1=O 522690084 VHLSIKCRHPRPAY-UHFFFAOYSA-N 472.501 2.534 30 10 JFEE C#CCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@H]1CCS(=O)(=O)C1 729335078 ZYVKZICUVMIVCS-HNNXBMFYSA-N 452.326 2.884 30 10 JFEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3Cl)n2)cc1 1084212114 AIAINTYQPZYSRP-UHFFFAOYSA-N 494.002 2.933 30 10 JFEE C=C(C)[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)OCC 1124265791 HCPLPPJIUITGLN-NRFANRHFSA-N 451.589 2.618 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)C1=O 1128335534 QKMBJUSXYIMZSL-KRWDZBQOSA-N 456.499 2.504 30 10 JFEE C#CCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O)C1CSC1 1146874789 VXJWTKVWYUIQRD-MWTRTKDXSA-N 450.560 2.852 30 10 JFEE C#CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)C1 1177755178 YSEHGTYDIKXQJK-IBGZPJMESA-N 457.983 2.919 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N(Cc3ccc(C(N)=O)cc3F)C3CC3)ccc2c1=O 1183612534 RLOQONOPAZPGAM-UHFFFAOYSA-N 452.511 2.914 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1286312353 WWQLVIJHEBEGMW-ZEQRLZLVSA-N 494.640 2.933 30 10 JFEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cnn(CC)c1 1286322296 ZYUFWZSSQKAYDP-UHFFFAOYSA-N 454.604 2.895 30 10 JFEE C#CCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359345 CGOPUJAKNJGTOU-HCXYKTFWSA-N 456.591 2.710 30 10 JFEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 1286382587 SOQYOBFBTJSBDD-IHPCNDPISA-N 490.029 2.815 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1286385762 OYUYKKCWLXTHIY-LAUBAEHRSA-N 481.626 2.664 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286386079 UCXUWDRSQYMKDF-WPSZSDGUSA-N 490.601 2.999 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286391953 KCXRSECLYZEQLX-FGZHOGPDSA-N 497.596 2.887 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286396060 VDZYLNWCDCILDD-GOSISDBHSA-N 492.592 2.981 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCN1CCOCC1 1286412854 FOLWAPNKHCELPJ-JOCHJYFZSA-N 484.645 2.578 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CC(C)C)N(C)C 1286426229 OLOWMXVNNUCFBK-HXUWFJFHSA-N 459.598 2.631 30 10 JFEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286593816 SXWQQSIRJWGWSG-IRXDYDNUSA-N 453.609 2.592 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1286672655 OVSYBHVTKGZWGW-CVEARBPZSA-N 461.579 2.695 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286790736 ORFWXTHSTVWKKW-ICSRJNTNSA-N 484.601 2.817 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cnnn2)C1 1286803459 IANSCFRNHVXPJA-HNNXBMFYSA-N 477.342 2.705 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@H]1C 1286815062 KFYIZDVVQFXGCV-CYBMUJFWSA-N 474.450 2.589 30 10 JFEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1286834658 ICIWLUXJHRTWJR-UHFFFAOYSA-N 460.579 2.909 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(F)(F)F)CC1 1286836132 HXYJICCBZHACHA-IRXDYDNUSA-N 463.570 2.996 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@](C)=O)cc1 1286969108 DMQAXYJTTWIGKO-FTDQSSOUSA-N 470.624 2.792 30 10 JFEE C#CCN(CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1294271952 LTPRXSOWGDJAJR-UHFFFAOYSA-N 450.543 2.554 30 10 JFEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2([S@](C)=O)CCC2)c2ccccc2c1=O 1294763344 CTPIXRFWGIPSGL-INDDNBPWSA-N 481.626 2.962 30 10 JFEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2ncc(C)s2)CC1 1296288333 ADFQGVWXUIREFO-QGZVFWFLSA-N 478.626 2.644 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC(C)CC2)cc1OC 1296762786 AEMPTBUSDSNPGZ-FQEVSTJZSA-N 454.575 2.813 30 10 JFEE C#CCCCn1c(N2CCO[C@@H]([C@@H]3CCCO3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300425825 YILGXNZTOGKIMI-ZGXWSNOMSA-N 459.591 2.846 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(SC)CCN(C)CC1 1300439058 ZEBFTHWCGKKDJP-UHFFFAOYSA-N 451.438 2.943 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1300478923 GTVUFBOPAWWFMT-HXUWFJFHSA-N 470.643 2.636 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300481470 ANERZZMQUSFNHR-IEBWSBKVSA-N 475.684 2.852 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1300482824 HZSNPSFHKMQIDL-FQEVSTJZSA-N 464.035 2.957 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300489253 KKJZQZJLGCLJPP-LSDHHAIUSA-N 475.373 2.863 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300490068 YUHNQGWHLGLASI-DOTOQJQBSA-N 466.991 2.516 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300498031 GBFDJJOIBZYBKF-LJQANCHMSA-N 473.986 2.802 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300503621 FIYWNDGJDUMLHB-QHCPKHFHSA-N 499.681 2.977 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@](C)(CC)O1 1300511843 PDROPIBSCVADQI-YKSBVNFPSA-N 469.611 2.616 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCCC(=O)NC1CC1 1300519714 AFGGFEGOMQGJEL-UHFFFAOYSA-N 458.335 2.978 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1300583429 HVPNKQREHPCOEM-QFIPXVFZSA-N 484.645 2.781 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1300596160 USGXTUFLRONIAR-PMACEKPBSA-N 489.642 2.638 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)COCCO1 1300643262 ZXWVQMYCUBIOAK-XMMPIXPASA-N 464.501 2.510 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CC(F)(F)F)CC1 1300673753 YGWYLLFURJKDIL-UHFFFAOYSA-N 489.546 2.877 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1300703993 YBOGPNBEEYOZQD-IFMALSPDSA-N 479.629 2.665 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C)COC2)CC1 1300718347 KWIIOCHBQKGUOG-UHFFFAOYSA-N 478.416 2.771 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 1300988936 LODHDKYAMOHJCY-HXUWFJFHSA-N 460.600 2.863 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301110056 SLACERTYXSQADT-KRWDZBQOSA-N 478.590 2.899 30 10 JFEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1301197869 QFTGCACYPWHJLM-UHFFFAOYSA-N 452.559 2.939 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1301223524 XHEFDCOTLLQEPP-MRXNPFEDSA-N 451.543 2.751 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301479413 ZNXRODOLQDNCKU-HXUWFJFHSA-N 495.628 2.581 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301483478 PLVQPQSBFSZPKZ-HSZRJFAPSA-N 477.512 2.623 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OCCOC)C1 1301490203 NBQXMCPZLIGRQZ-INIZCTEOSA-N 451.930 2.672 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301531283 IBENBRJUVRPPAC-UQBPGWFLSA-N 469.586 2.599 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CCC)C1 1301568566 VEPJTVJLYGKANX-FQEVSTJZSA-N 475.615 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301569231 UAIBESFOQJFWLU-IAGOWNOFSA-N 455.625 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1301576610 FXOXCZCTAJZKLP-UHFFFAOYSA-N 487.626 2.536 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1301577508 PIUYSTIRJFPLBD-GASCZTMLSA-N 499.431 2.931 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1301970148 DOBRQQWCEHIUKF-JKSUJKDBSA-N 451.980 2.931 30 10 JFEE CS(=O)(=O)C1(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1302426709 CGRQGSPXVNWZNA-HXUWFJFHSA-N 465.526 2.796 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)N1CCCCCC1 1305520063 BFYRNNCODPPGIV-LJQANCHMSA-N 481.649 2.825 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1313458720 CRPAXZVAUSMUJE-JOCHJYFZSA-N 479.629 2.670 30 10 JFEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1313696340 GJPDMBMYLCDKOU-HXUWFJFHSA-N 470.643 2.952 30 10 JFEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccco1 1314648078 GZEWYVQJIXYSSR-FQEVSTJZSA-N 468.583 2.726 30 10 JFEE C#CCOCCC(=O)N(CCC1=CCCCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1347766369 WBKSVVISOSRMFC-UHFFFAOYSA-N 450.539 2.843 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC1CCOCC1 1358891212 AQSNLZPVBLLMTG-PZJWPPBQSA-N 491.633 2.878 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2oc(CC)nc2C)c1 1358901862 YPHBBFVJSWJYIB-AREMUKBSSA-N 492.580 2.894 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1358902306 KCOOFSJOTQYNKE-GOSISDBHSA-N 498.513 2.676 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCN(CC)S(C)(=O)=O 1358942743 IIOFBZZYHBUPNS-UHFFFAOYSA-N 468.421 2.757 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1358966564 RNSAGGCDLNNFPQ-HSZRJFAPSA-N 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CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282418268 HMWHWRCOVWYQRH-XIFFEERXSA-N 482.383 2.982 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282501441 XBSQGJSBPQMMQP-CQSZACIVSA-N 488.362 2.552 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282508663 ZMNGTIWRZGJFOQ-RBUKOAKNSA-N 478.420 2.509 30 10 JFEE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282510138 VBUPZLINGLWIPW-LJQANCHMSA-N 491.488 2.869 30 10 JFEE C=CC1(NC(=O)c2ccc(OC)c(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282523591 ADKKCZCPDUJAIV-UHFFFAOYSA-N 458.364 2.900 30 10 JFEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282553261 PWFHNSDDFVFGCS-UHFFFAOYSA-N 462.400 2.581 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 2282594656 JCQXAYMWYHLITI-FQEVSTJZSA-N 496.417 2.981 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@](C)(=O)CCCCNC(=O)OC(C)(C)C 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CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2282851369 AQQKUYIFRBRUCH-NYHFZMIOSA-N 498.476 2.973 30 10 JFEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282874107 VWTSJXIWZOGDAN-UHFFFAOYSA-N 480.436 2.876 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1Nc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282931782 JBRMWGIICNENGT-IRXDYDNUSA-N 463.340 2.988 30 10 JFEE C[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283948028 IBIGWABELKUNGL-AYOQOUSVSA-N 460.380 2.533 30 10 JFEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2283968447 KTKKZFFDRUHXMK-CJNGLKHVSA-N 482.408 2.681 30 10 JFEE Cc1nc(NC(=O)C2[C@H]3CC(NC(=O)OC(C)(C)C)C[C@H]23)ncc1B1OC(C)(C)C(C)(C)O1 2283985424 IWSCWPQMHFAYRI-GWUWNPHMSA-N 458.368 2.572 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2283989778 SGHXFXMGQSWDOK-KGLIPLIRSA-N 481.786 2.591 30 10 JFEE C[C@H](COCC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1)NC(=O)OC(C)(C)C 2283990215 ZTINLNPRUKAINU-OAHLLOKOSA-N 480.436 2.862 30 10 JFEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2284044530 AXLAGMZUNRCANX-APWZRJJASA-N 462.396 2.872 30 10 JFEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2284410884 XGGARPUEZQSPTN-SFHVURJKSA-N 495.428 2.527 30 10 JFEE Cc1ccc(CNC(=O)COC[C@@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296176820 QQCWLHGBFFPCSH-QGZVFWFLSA-N 462.396 2.840 30 10 JFEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)s[nH]2)C1 2296458576 CSZIIOOQZJMEQS-UHFFFAOYSA-N 492.432 2.907 30 10 JFEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C 2296935798 GRILFZIGGKYGFD-NRFANRHFSA-N 499.564 2.809 30 10 JFEE COc1ccc(C=Nn2c(COc3c(C)cccc3C)nnc2SCC(N)=O)c(OC)c1 2328553731 WYDKLEKERNUJFC-UHFFFAOYSA-N 455.540 2.951 30 10 JFEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(Cl)c(Cl)c2)CC1=O 2329013015 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CGYQYODEQYUZFA-UHFFFAOYSA-N 467.618 2.820 30 10 JFEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(OCC(N)=O)CC1 1286587699 BDDAXTFXLNRXKA-UHFFFAOYSA-N 452.328 2.894 30 10 JFEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1286681898 WZROLOFCEQRYHP-RTWAWAEBSA-N 471.627 2.774 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1286769103 PNPVBXONSHXCRW-UHFFFAOYSA-N 467.961 2.966 30 10 JFEE C[C@H]1CCCN(C(=O)C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CC2)C1 1291100788 HXXXAUQINQDCDR-KRWDZBQOSA-N 499.566 2.673 30 10 JFEE CCN(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1295396530 FBFBJPDSGHCJEI-CTNGQTDRSA-N 498.609 2.753 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@@H](O)C2)cc1Br 1300076255 DRDFQSBCTXIFCT-USXIJHARSA-N 476.375 2.996 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)c2ccco2)CC1 1300729115 NGVNKDNEWZHHAT-HHHXNRCGSA-N 475.593 2.920 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)SC)CC1 1300730936 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QYSLGSWIXLHUSJ-INIZCTEOSA-N 496.381 2.781 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@]2(CCOC2)C1 1690715868 WVAXBSYULVSWDX-RDPSFJRHSA-N 490.626 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1690719500 NMYXUAHLZUKVTL-UHFFFAOYSA-N 477.940 2.884 30 10 JFEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690738804 ZCHUWQQSDFYTSC-UHFFFAOYSA-N 482.654 2.805 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690748985 NGTIMDAPDZWKIT-IBGZPJMESA-N 479.647 2.932 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CC1 1696485216 BUWQKSISHVHVPW-UHFFFAOYSA-N 483.598 2.720 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC(Oc4ccnc(C(N)=O)c4)CC3)n2CC(F)(F)F)cc1 1698487103 AEHAMAYMIKPYPH-UHFFFAOYSA-N 471.443 2.921 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1705475495 SLLTZDXAOCUNML-UNMCSNQZSA-N 473.581 2.765 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)c1 1705504064 LYHDEMWNDZBEGD-UHFFFAOYSA-N 496.612 2.926 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1705506828 JLRRYJGHHVAHLI-HXUWFJFHSA-N 490.530 2.865 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705538826 AXUXEJULVRUXFA-OKZBNKHCSA-N 460.579 2.739 30 10 JFEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1705560799 KKMNZJQFZFWEFB-WMZHIEFXSA-N 464.632 2.527 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1705563360 VZKRTLTWLGQEFS-HXUWFJFHSA-N 490.029 2.628 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1705571921 LIQTVNZSHOJCNQ-GUDVDZBRSA-N 468.689 2.965 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCCCC2 1705607299 YBZQLKUMONBWOR-UHFFFAOYSA-N 465.558 2.797 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(OC)CCCCC1 1705622368 GQBYMEVZXVCLMJ-UHFFFAOYSA-N 488.658 2.982 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc2c1OCCCO2 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C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 1705903709 RHEIHULEFZBUEP-FQEVSTJZSA-N 452.342 2.550 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)C(C)C)C1 1705915667 FWEVPJAUFXSAMF-FDDCHVKYSA-N 476.647 2.735 30 10 JFEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705944602 MLLNIZYNXPMIES-UHFFFAOYSA-N 453.609 2.864 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1705949870 LJCROHDXPDPASG-YLJYHZDGSA-N 458.632 2.772 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H](C)CC#N)CC1 1706002970 GKUHYQBIEYQHLP-HNNXBMFYSA-N 492.397 2.749 30 10 JFEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1708824860 DBDJPSHOVXTNBR-IBGZPJMESA-N 466.586 2.775 30 10 JFEE CS(=O)(=O)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)cc1 1712686098 FKKKWZPOWCQAGN-UHFFFAOYSA-N 479.566 2.507 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CCC(=O)N2CCOCC2)c1 1712877111 AZXFNWMUISFSTE-UHFFFAOYSA-N 462.476 2.844 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NCCC)c1 1722277055 KDVJWMMNIJJZIR-UQBPGWFLSA-N 453.587 2.965 30 10 JFEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722312455 CDHOUGZJJBFUIH-FGZHOGPDSA-N 463.630 2.770 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722359934 QTGVVJQWHOIQAT-NQIIRXRSSA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722366509 RDRGKHADESDNEK-NHCUHLMSSA-N 474.602 2.984 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCSC(F)(F)F)CC1 1722440887 DGLJARMHSJZKDS-UHFFFAOYSA-N 455.506 2.874 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(C)cc(C)c2)CC1 1722441579 SVYKIAHPCQROSG-UHFFFAOYSA-N 485.592 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](COC)OC)CC1 1722443397 SALVAMLLJQAFCX-QFIPXVFZSA-N 467.614 2.870 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722459918 UFMMLYRMYZITPU-HXUWFJFHSA-N 455.584 2.554 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H]1CC(=O)N(CCOC)C1 1722498173 QVUTWLVISOFYBF-FQRUVTKNSA-N 465.598 2.907 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1722510975 WIFCIEZDERESGG-XUZZJYLKSA-N 485.604 2.968 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722529333 RJOMFQIJUZJNOT-IBGZPJMESA-N 493.450 2.940 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722538204 MMQNQUOXRQAJPF-UGKGYDQZSA-N 461.607 2.576 30 10 JFEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722628586 GGQOQUFFTYNVOT-HYBUGGRVSA-N 484.620 2.590 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1722679872 OQAICUUDTSQAIC-RBUKOAKNSA-N 466.586 2.865 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722684424 RGTBYFAFCKJCBQ-UHFFFAOYSA-N 460.311 2.619 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1722704182 PTMXDHXYKXHUMB-QHCPKHFHSA-N 457.600 2.888 30 10 JFEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722741319 HQNPTAFVSGMAPK-INIZCTEOSA-N 470.064 2.912 30 10 JFEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)OC 1726844346 CHVJVEPRCXIFRR-AVRDEDQJSA-N 488.596 2.698 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1727920799 GJEKSPYRPIWBPH-YJBOKZPZSA-N 462.501 2.828 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1728762117 FRNPLFPIZMRCEG-OZXSUGGESA-N 482.629 2.795 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(C(F)(F)F)n1 1740542200 QKAQVMWGQSFAAN-AWEZNQCLSA-N 453.432 2.841 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(S(C)(=O)=O)CCC1 1740605062 MMWMTRJVQBMPOL-UHFFFAOYSA-N 455.353 2.883 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740616613 DFDFGFKWUUVNAS-SFTDATJTSA-N 458.628 2.998 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740622050 STMZVSZXDUAQMB-SFTDATJTSA-N 472.659 2.565 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1740627093 YAWNDZPXFWTMEU-DHLKQENFSA-N 472.655 2.991 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1740691633 KYHUXMOHXWSFJO-UHFFFAOYSA-N 470.065 2.627 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1740697339 ATGNPDBNNHOODR-QHCPKHFHSA-N 476.597 2.739 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1740767435 UZDCOYJXNNABOV-MGPUTAFESA-N 456.012 2.852 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740789579 ODYBVTBMVJTIER-QGZVFWFLSA-N 468.023 2.957 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCCCC1 1740810472 CONVPVQWPMTUFP-GOSISDBHSA-N 458.028 2.913 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCO[C@@H]2CCOC2)CC1 1740835811 PCGGJIOBTOFARV-OAQYLSRUSA-N 489.642 2.793 30 10 JFEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740860863 SLQUCKTZIMNWNN-UHFFFAOYSA-N 471.993 2.621 30 10 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C#CCN(c1nnc(Cc2ccccc2C)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588059672 RYSNNFZLGHLNJF-HSZRJFAPSA-N 463.607 2.750 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588065349 XGZXZWYODRPCFG-VXKWHMMOSA-N 496.681 2.953 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC[C@H]1CC 1588124962 XMTJYCZGQFVXJB-HXUWFJFHSA-N 467.643 2.576 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1588445944 UWWTULQRXIZMCK-INIZCTEOSA-N 481.416 2.904 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1588480783 CXIJYZVHDYCIJY-OAQYLSRUSA-N 485.514 2.870 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC(F)(F)Br)n1 1588724434 ZUYUOJSYRXMJOL-HNNXBMFYSA-N 487.349 2.643 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC[C@H]2CC)CC1 1588892105 XFJAJNGYJHEXOE-ZJCBTPCYSA-N 457.619 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1588947735 VHXRSJXWONPDNQ-GOSISDBHSA-N 498.603 2.887 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CC1 1588955073 PUKNRLPYGLKFJM-UHFFFAOYSA-N 491.621 2.606 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1589037043 UIMALUYJNAQJIX-UHFFFAOYSA-N 495.653 2.775 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1589048248 ZQHCOROBIFLQND-KRWDZBQOSA-N 459.620 2.786 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1593636141 HRJZQYZHEIVPJZ-LJQANCHMSA-N 469.558 2.882 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1594181420 KRVHLSGCTNXGCM-LJQANCHMSA-N 455.607 3.000 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCN1CCOCC1(C)C 1595094338 RBXBJIGYUOHETP-UHFFFAOYSA-N 458.570 2.910 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1ccccc1F 1595490366 QOOQDRSSGLIGIP-UHFFFAOYSA-N 477.338 2.992 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CC)CC1 1595569902 QMIHTYQQZSOOBT-UHFFFAOYSA-N 465.646 2.571 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1595755355 WOIUHXHSSCUBPH-UHFFFAOYSA-N 469.970 2.544 30 10 JFEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 1596013077 HNGQEZQORKATLT-UHFFFAOYSA-N 466.586 2.911 30 10 JFEE CN(C)C(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](F)(C#N)C1 1617594886 GOPHUCHSQOBGPW-SFHVURJKSA-N 453.291 2.767 30 10 JFEE COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1619682841 DENZQCYEVADKSR-MRXNPFEDSA-N 450.465 2.748 30 10 JFEE COc1cc([C@@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)ccc1S(C)(=O)=O 1620679561 HBHFRLFQMHJFKR-RHSMWYFYSA-N 450.520 2.987 30 10 JFEE C=CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)[C@@H]1CCS(=O)(=O)C1 1625390068 RISPRMXVXVRZOK-QGZVFWFLSA-N 450.463 2.738 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 1634022909 SUFCVMSAVXJOMA-VQTJNVASSA-N 451.011 2.955 30 10 JFEE CN(Cc1ccc(Br)cc1Cl)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1640162293 BIHNPIIPZQYHLQ-UHFFFAOYSA-N 456.749 2.911 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1CCN(CCC(=O)OC)C1=O 1640706483 RGRSELJOMFVXNT-MRXNPFEDSA-N 450.948 2.953 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1689866963 NWCBVGMCAMZXFO-OALUTQOASA-N 458.607 2.673 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1689990456 ORQKJOWBGFEHOV-IRLDBZIGSA-N 472.611 2.788 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690005124 SNMMJTLOSXDCGK-BGYRXZFFSA-N 451.571 2.534 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1690102970 YZFAJLVMXUOBSH-RPWUZVMVSA-N 467.614 2.640 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1690105865 BDUACYUZEKAALA-JOCHJYFZSA-N 453.587 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2oc(CCC)nc2C)CC1 1690137769 IHKTWGMEZGQVFI-SANMLTNESA-N 498.628 2.582 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690159743 LCCGAACBCQGBCJ-MRXNPFEDSA-N 468.048 2.731 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1690230453 DNXYZPZBCUQMOP-UHFFFAOYSA-N 453.410 2.847 30 10 JFEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1690447144 KNTXGWZFBOJLKW-RTWAWAEBSA-N 471.627 2.774 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690482037 XILZISCWAMTXIC-KRWDZBQOSA-N 465.558 2.873 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1690680649 XMPDVRLDYFMPJC-OAQYLSRUSA-N 455.559 2.604 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690688736 ZWGMGYGJQAFZJI-VQIMIIECSA-N 497.568 2.609 30 10 JFEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1 1691452093 BUPOWNKYDQJGNU-UHFFFAOYSA-N 463.586 2.617 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)c1cc[nH]n1 1692832428 GLIFNCWTUDWSAW-INIZCTEOSA-N 466.521 2.840 30 10 JFEE Cc1ccccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)NC(C)C 1693246215 HUKIKLQBFAUTRN-UHFFFAOYSA-N 458.570 2.762 30 10 JFEE 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C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(CC)noc2C)C1 1705929573 SYWGBTKKJNGUCZ-INIZCTEOSA-N 456.572 2.958 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1705930520 PMBFOFRVMFMVOC-GOSISDBHSA-N 474.631 2.951 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC[C@H](O)C1 1706996756 AZVSBNZRSHSIHV-NXHRZFHOSA-N 459.620 2.836 30 10 JFEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1)C(C)C 1711578853 DBAJEWHSJYFTEK-LADGPHEKSA-N 482.629 2.948 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1722332246 GYTWQSGPDHRBDT-FQEVSTJZSA-N 484.605 2.508 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCc2ccc(OC)c(OC)c2)CC1 1722445975 HUFIHGQZZLGXFT-UHFFFAOYSA-N 476.581 2.889 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1722447477 IJNNUIITJFIZLX-NRFANRHFSA-N 481.597 2.594 30 10 JFEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722612364 RDADGCDDJOZYIF-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE 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488.633 2.699 30 10 JFEE C=CC1(CC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CN(C(=O)OC(C)(C)C)C1 1539865696 OJLXCUROGWSTDF-UHFFFAOYSA-N 458.559 2.709 30 10 JFEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540037663 OLHQAVRZLJFSSN-QFIPXVFZSA-N 487.048 2.858 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540875084 AXYYVOVFVFNEBO-OAHLLOKOSA-N 459.856 2.580 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CCOC2)C1 1540887581 ZPJXCZTXRINXOB-DVECYGJZSA-N 458.559 2.674 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1540905098 SJRHTFUJSFGENH-IBGZPJMESA-N 485.614 2.755 30 10 JFEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(C)(C)C2)CCO1 1541082322 DPABSCAPHSVSHM-NRFANRHFSA-N 452.559 2.506 30 10 JFEE COc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc(Br)c1OC 1567387586 CYNYSFWBXRMWHM-GXTWGEPZSA-N 454.321 2.955 30 10 JFEE C#CC[C@@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCCN1C(=O)OC(C)(C)C 1583808633 ZHWHCKYWIMEMHC-VWLOTQADSA-N 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468.602 2.511 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1690674779 FDNNDHADNPINKZ-HXUWFJFHSA-N 487.967 2.812 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690681694 XQKGWNOHKJTBBM-XHNVNVPESA-N 469.586 2.802 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1692346550 HZIKKHMQJVTBGN-PGRDOPGGSA-N 451.637 2.888 30 10 JFEE Cc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)N2CCCC2)cc1 1693029652 GTMYFGQOEBNPIG-ZVDOUQERSA-N 473.647 2.630 30 10 JFEE CCN1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695851546 AJDBWOCLDHPHSW-UXHICEINSA-N 451.623 2.728 30 10 JFEE COc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@](C)(O)C(C)C)cc1 1697377087 GSVBVIYOGCMFCF-RUZDIDTESA-N 478.601 2.601 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC(F)(F)CO1 1705501358 YHCBVHSRBKPKFS-TZIWHRDSSA-N 458.557 2.525 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1705564136 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454.394 2.754 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1722704181 PTMXDHXYKXHUMB-HSZRJFAPSA-N 457.600 2.888 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722706814 YXHOOLUXSMNOJQ-UHFFFAOYSA-N 470.574 2.525 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722727173 MOIAFFCZVSPAAV-UHFFFAOYSA-N 478.707 2.531 30 10 JFEE CC(C)C[C@H](Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C)N(C)C 1723260007 GDNBMIOSXCALCP-RBUKOAKNSA-N 453.639 2.929 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)Oc1ccc(F)cc1 1727606740 CTFXEZXBYNTFMG-IRXDYDNUSA-N 450.522 2.824 30 10 JFEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1728411858 AEORTCDMRILKLW-QFIPXVFZSA-N 451.619 2.707 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cncn3)nc2)c1 1740564537 QGKQQNZNQAMVPJ-UHFFFAOYSA-N 483.580 2.947 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740581474 YQEWUPUZYQAFNT-INIZCTEOSA-N 496.921 2.780 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1C 1740677621 YBFTTYHXLVCYTC-LJQANCHMSA-N 453.543 2.711 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCC[C@H]1C 1740684366 OPWDOZKDILVJJR-HXUWFJFHSA-N 477.613 2.806 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2ccc(OC)cc2)CC1 1740705551 IIUUDYWAJQLDLF-QFIPXVFZSA-N 465.598 2.779 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740739987 HFDAVHGCFNBHJY-DZGCQCFKSA-N 451.321 2.823 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740777456 CDMLPNGEEGWQQZ-UHFFFAOYSA-N 474.569 2.544 30 10 JFEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740887233 ALEOFEOWIOLBCW-MSOLQXFVSA-N 458.538 2.706 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1740937543 IWQNWSXFDYZIRY-HXUWFJFHSA-N 489.642 2.801 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1740987703 LERUSLPFMJPCSK-HXUWFJFHSA-N 453.524 2.588 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740991685 BQGGRNVZYUZYCT-SJORKVTESA-N 455.625 2.571 30 10 JFEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1741001890 DNAUVKFUQXAZTP-QKNQBKEWSA-N 459.664 2.954 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1741003660 ZQKUXJRXBNJECI-BZSNNMDCSA-N 465.620 2.873 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1741301096 AETWTXKWZCMUSS-SQJMNOBHSA-N 450.587 2.966 30 10 JFEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1742636786 DCNOQHTYWIXTSX-UHFFFAOYSA-N 486.502 2.917 30 10 JFEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1748392236 CZOIIJAIEGZGFI-SJLPKXTDSA-N 456.547 2.867 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(CC)CC)N1CCOCC1 1748656099 LPOCBYIYLALVLS-XXBNENTESA-N 477.617 2.516 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@@H]1CCS(=O)(=O)C1 1748806135 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2.512 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 1286788973 LSXODDDKDNVUBX-UHFFFAOYSA-N 451.550 2.911 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCCC2=O)C1 1286801602 DPUUIEJRQBTWNB-HXUWFJFHSA-N 487.626 2.533 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCc2ccco2)C1 1286806435 CGKIYAUJUZVALX-KRWDZBQOSA-N 457.481 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1286819147 BOTPRRSWMFRYGG-SFHVURJKSA-N 484.626 2.665 30 10 JFEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286834605 GUBJAPQDOFYOFU-IBGZPJMESA-N 456.616 2.949 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1292930574 RJDJWZKZPFBNIC-GOSISDBHSA-N 457.015 2.615 30 10 JFEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCn1cc(Br)cn1 1293097257 DJMRQPMHAZWIJF-UHFFFAOYSA-N 473.354 2.837 30 10 JFEE C=CC[C@H](CO)NC(=O)c1cc(I)ccc1I 1297174947 AFUGMZDOOJNWLY-SECBINFHSA-N 457.049 2.563 30 10 JFEE 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C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300853339 NAGSCQJREXIYMB-INIZCTEOSA-N 488.477 2.947 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1300887729 GIBQIALCQBIZQS-VGOFRKELSA-N 495.596 2.600 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1301087116 UWUUCNPRVXGSKV-SLFFLAALSA-N 477.606 2.794 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1301137449 RKCDYSHQYBWZLR-SFHVURJKSA-N 488.658 2.514 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1301297732 UNUIHPJJVAQWAT-MKTHODDLSA-N 453.609 2.510 30 10 JFEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](COC)C2)CC1=O 1301859269 AZVMYVFFARESQB-SFTDATJTSA-N 466.586 2.565 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccc(C(F)F)n1 1301967385 CIOQCEUUDWBXRR-HNNXBMFYSA-N 468.516 2.824 30 10 JFEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC[C@H]2C)C[C@H]1OC 1302418156 FAAKQUAOXJJLOF-PTUXOGIPSA-N 468.602 2.843 30 10 JFEE CC(C)SCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1303581148 GLJOKUJWRLLLCW-SFHVURJKSA-N 463.615 2.782 30 10 JFEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cscn2)CC1 1313957134 DNRFAEBMCOXMBE-UHFFFAOYSA-N 450.616 2.937 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(C)CC2)CC1 1313993391 GEXVABXDZABNFS-UHFFFAOYSA-N 464.618 2.790 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC(C)(C)C1 1314962832 FZHOHOFOEJCUII-LJQANCHMSA-N 467.618 2.669 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)cn2)c1 1358901749 VRGOMYKSKXPVDJ-RUZDIDTESA-N 478.528 2.569 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1358911650 AEFPYJIDNDSKFK-IBGZPJMESA-N 479.647 2.725 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1358980992 RRUMCOXLEMQBPL-UHFFFAOYSA-N 457.626 2.697 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)Nc1ccc(F)cc1 1359020260 WXYISRHMRSTUFB-UHFFFAOYSA-N 475.322 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCOC2)CC1 1359042850 WNNPCKNIPSNXBA-IBGZPJMESA-N 481.597 2.745 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](OC)C(C)C)CC1 1359046549 WGLLNBIZUZIALS-QHCPKHFHSA-N 462.598 2.987 30 10 JFEE C#CCSCCn1c(N2CCN(Cc3cccs3)CC2)nnc1[C@]1(OCC)CCOC1 1359062568 LTXCXKGXQINLKL-QFIPXVFZSA-N 461.657 2.680 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359128391 SNWMEJRXAWHAIE-MRXNPFEDSA-N 456.515 2.763 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(F)c(Cl)c2)CC1 1359164968 DJPSEBLRHMYAMP-LJQANCHMSA-N 499.996 2.639 30 10 JFEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359203564 QZEBIVMYCMQCBV-PKTZIBPZSA-N 460.667 2.760 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1359215505 DGOGTRPKTNFQDF-UYAOXDASSA-N 463.579 2.710 30 10 JFEE C=CCCCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359220933 NILJMFGJQMEOHM-RUZDIDTESA-N 460.667 2.891 30 10 JFEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccc(Br)cc2C1 1359222323 FRZQFDYNSIQPEQ-AWEZNQCLSA-N 484.420 2.764 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359289648 YMYOOGOGTHGNMS-UHFFFAOYSA-N 453.934 2.517 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(OCCN2CCCC2)CC1 1359297677 YIHAMMGPSHSJOX-UHFFFAOYSA-N 452.603 2.637 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 1359400564 PAPCJXGUDOFZRA-HSZRJFAPSA-N 479.629 2.765 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2c(C)noc2C)C1 1359423016 AAZQEBNVQPSYIM-HXUWFJFHSA-N 463.542 2.681 30 10 JFEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1359665721 FRTRYYYFKNRDRK-UGKGYDQZSA-N 451.575 2.824 30 10 JFEE C#CCN(C(=O)[C@H]1CC(c2cn(C)nc2C)=NO1)[C@H]1CCOc2ccc(Br)cc21 1360311087 OYVLVTWDDWPOKP-AZUAARDMSA-N 457.328 2.970 30 10 JFEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 1361287746 ASAYRTKWYDIBBT-UHFFFAOYSA-N 454.487 2.623 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507632340 ZGSIVVDYVSUMLI-SWHJIRTISA-N 496.637 2.555 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C 1507653971 UHEZWIZAENATGB-DEOSSOPVSA-N 486.599 2.967 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507721399 OCQUAWCKDXLZAB-UHFFFAOYSA-N 481.963 2.626 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507748837 NDNSPIAZYWTMSB-HNNXBMFYSA-N 472.011 2.622 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1507858545 FZLQXJUXONGZBM-UHFFFAOYSA-N 451.980 2.548 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1508080724 DRMSENZCHITLKV-IBGZPJMESA-N 450.543 2.945 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](c3ccnn3C)C2)cc1 1508096367 GKEAVKYGKLHQJU-ICSRJNTNSA-N 499.641 2.619 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNc2nccc(C(F)(F)F)n2)C1 1508121004 BOFGTDDGVLOTMS-HZPDHXFCSA-N 467.496 2.874 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCn2cc(Br)cn2)C1 1508125178 HRPIYRFEPJUAEL-SFHVURJKSA-N 458.364 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1508136608 TZIKXPGWXFDHAW-CVEARBPZSA-N 466.629 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1508137642 OTZDWAUFPPPUQY-GOSISDBHSA-N 490.630 2.634 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1508157786 BFYRSKGEDUFJOT-AZUAARDMSA-N 468.627 2.795 30 10 JFEE C=CCSCCn1c(N2CCC(N3CCCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1508168734 TWJDYQGPZZBRNV-HSZRJFAPSA-N 463.648 2.831 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC[C@H]1C 1510211535 AURZCJWIDBQWLN-DXIQSLLYSA-N 485.658 2.518 30 10 JFEE CCC[C@@](C)(O)Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1514271279 CIFWLGVTEOCHSF-RPBOFIJWSA-N 486.592 2.819 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 1515930789 BZCXSXVNBCGVHM-ZJSXRUAMSA-N 465.646 2.952 30 10 JFEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1536580530 GNTDWJDCEGOJRZ-QFIPXVFZSA-N 451.477 2.714 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1539155554 WAJITQZOBGUMTL-UHFFFAOYSA-N 476.400 2.708 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539206577 ROSZOKLQJFWPFF-RTWAWAEBSA-N 485.654 2.609 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1539220379 RMFRNGNZKVCKDZ-SIKLNZKXSA-N 465.019 2.664 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1539220549 KVGYQQQNNWDCRH-VQTJNVASSA-N 458.584 2.512 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCN1CCCO 1539241699 ICKILDZDARRCRG-GOSISDBHSA-N 474.378 2.766 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1539434382 KGBKQDZVTADJHH-HXUWFJFHSA-N 488.583 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCc3ccccc32)CC1 1539466975 KQROTUYYIBZHAI-OAQYLSRUSA-N 476.625 2.892 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2scnc2C)CC1 1539470762 YLPRWGATNGLCDN-UHFFFAOYSA-N 494.621 2.936 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2csc(C)n2)CC1 1539580069 SRIMENXGLSODOM-OAHLLOKOSA-N 485.452 2.998 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1539612591 ODNSJLPFNVYEEU-KNOQFWTLSA-N 475.634 2.952 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1539722557 PLRNEUUBSVXUMX-NRFANRHFSA-N 482.629 2.999 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1)C1CC1 1540095533 RMGXSYIZWWZWBL-IRXDYDNUSA-N 462.595 2.709 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccccc2OC)C1 1540881659 PCVAHNORPCYFKV-MOPGFXCFSA-N 455.559 2.772 30 10 JFEE C=CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1565628024 HTTGUONMVAFSLQ-KRWDZBQOSA-N 457.434 2.809 30 10 JFEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3c[nH]c4cccc(C#N)c34)cc2)CC1 1584585413 OLFJVMOMILMSSX-UHFFFAOYSA-N 459.550 2.555 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588045554 MORJEZDODHOXDU-DLBZAZTESA-N 493.427 2.903 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1588159585 ZHIWYARJEJKEJK-OAQYLSRUSA-N 465.602 2.860 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nccn2C(F)F)CC1 1588946674 HFPLTRGJMAWPKI-UHFFFAOYSA-N 471.487 2.614 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1589664201 VCKZBSZHYZFMHJ-SFHVURJKSA-N 469.558 2.805 30 10 JFEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1589700958 GOGBIKJTGUSLLX-UHFFFAOYSA-N 473.666 2.543 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](c2ccccc2)C1 1594732281 BNSCFVMLIGECLE-LEWJYISDSA-N 475.615 2.545 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1 1595108537 BOYSOCVOIZYAER-JOCHJYFZSA-N 450.587 2.965 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1595447163 OCFZVRHJXMVWQN-UHFFFAOYSA-N 468.602 2.623 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(F)(F)C1 1595506527 CKAWKMVERFLEBJ-UHFFFAOYSA-N 456.291 2.864 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1595688827 PCOBLTBXGFYYTQ-YLJYHZDGSA-N 485.585 2.667 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1595805436 OXPZFMVIVWUENN-UHFFFAOYSA-N 459.616 2.629 30 10 JFEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C(=O)OCC 1596596692 RZGBCQLEDVNQPS-LJQANCHMSA-N 452.573 2.888 30 10 JFEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C(=O)OCC 1622450236 MRJMRBQBOXIXCT-LBPRGKRZSA-N 454.726 2.588 30 10 JFEE C#CCN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCCC 1639281820 PBIJUZMMRQJUMW-UHFFFAOYSA-N 455.584 2.539 30 10 JFEE CN(CCCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C(=O)c1ccncc1 1640947191 HEMSNZGNKWWYDI-UHFFFAOYSA-N 457.538 2.544 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCOC)[C@H]3CC[C@@H](C)C3)nnc12 1641519674 RKEGRBHYKABNTG-SJORKVTESA-N 455.584 2.986 30 10 JFEE COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2S(=O)(=O)c2cncc(C#N)c2)c1 1663913480 DJSDAKWXRHBDKC-HXUWFJFHSA-N 458.540 2.945 30 10 JFEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1683702245 ANFSNJSCFLUCKZ-QGZVFWFLSA-N 455.584 2.573 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1689893348 XVZUNNFSXLXRBD-XLIONFOSSA-N 475.590 2.677 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1689925813 BJBAAGGAYSGSNO-IBGZPJMESA-N 475.597 2.973 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689983762 GZUXLUUVMRTPND-LJQANCHMSA-N 454.552 2.839 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCC(C(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1689987929 FSINIEXUYXCIFH-JCYILVPMSA-N 482.532 2.731 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690158084 WVMHNPYASPLCIG-RBUKOAKNSA-N 469.611 2.994 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1690179150 OUTZNIDDHJQGFC-UHFFFAOYSA-N 480.619 2.733 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1690206017 FFMMJUVNGNJHGS-IUKKYPGJSA-N 479.647 2.722 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690311928 XLPROYCARCLYRW-LJQANCHMSA-N 457.579 2.628 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC3CCCC3)nc2)CC1 1690364894 ZRHIRPLEKKDGKU-QGZVFWFLSA-N 460.604 2.809 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1690464772 KHYHJNBVQXZLOH-ZWKOTPCHSA-N 467.636 2.888 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccc(F)cc1 1690660587 KTSRENUQXKXISO-UHFFFAOYSA-N 485.589 2.624 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CCOCC2)C1 1690692214 UODTWRLQGXMCIK-LJQANCHMSA-N 458.559 2.675 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)N(C)C 1705502464 WPKBZQLQGAXMQA-ZDUSSCGKSA-N 460.387 2.513 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCc2ccn(C)n2)c1 1705507663 IBVOGTFCTIFIOG-UHFFFAOYSA-N 474.594 2.666 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705568090 HNOWEIMZESSPTE-UNMCSNQZSA-N 486.638 2.916 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCN(C)S(=O)(=O)CC 1705591419 CKIIFGJUQYLALA-UHFFFAOYSA-N 492.443 2.842 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1705618048 RGVGOOCTWGEUTI-IBGZPJMESA-N 452.559 2.957 30 10 JFEE C#CCSCCn1c(N2CC[C@](O)(c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1705665072 JHNOBBKIPJKAPS-PKTZIBPZSA-N 460.575 2.534 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1705694820 FMXKLTINABQPCN-DENIHFKCSA-N 455.559 2.612 30 10 JFEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1705720603 IXARPNQVQTUEJV-UHFFFAOYSA-N 454.575 2.824 30 10 JFEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1705722992 UJVIVDQFIZUQTR-SFHVURJKSA-N 461.010 2.838 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1705725721 OHENMVZALNSXRG-ZWKOTPCHSA-N 462.595 2.658 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705736006 ZMGPZALQXZEZHF-VQTJNVASSA-N 488.633 2.700 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705892727 CDPKKUPTTSZOSG-LAUBAEHRSA-N 458.994 2.685 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705895861 VLINZEHCYYFXHR-QKKBWIMNSA-N 494.365 2.533 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705905256 PCEVAGRNVSORJE-FQEVSTJZSA-N 453.587 2.501 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705947691 UUXGYKOYXNGTJS-JOCHJYFZSA-N 455.676 2.788 30 10 JFEE Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)C2)n1 1707811719 GYHICMOETNRKPV-OAQYLSRUSA-N 476.585 2.908 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCCC4(CCOCC4)C3)n2CC(=O)NCC(F)F)cc1 1712880200 AROSGICQBBTAIM-UHFFFAOYSA-N 474.512 2.507 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1722301964 FKWGCTCWXDGHEL-AEFFLSMTSA-N 456.547 2.717 30 10 JFEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722365439 DNGWWKJXGXFBCA-IHPCNDPISA-N 491.658 2.675 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722367073 UUHPBSHUAGQPDZ-GDBMZVCRSA-N 455.506 2.880 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1722368886 UHONSXIMWHXPDM-FSSWDIPSSA-N 477.675 2.801 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1722371281 INEQWQZCXFIDAM-HXUWFJFHSA-N 454.621 2.994 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722376653 XDGSCPQPOHOUQT-IAGOWNOFSA-N 459.392 2.608 30 10 JFEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722478954 CWMRAPXCCFNZMU-AWEZNQCLSA-N 482.180 2.830 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722523057 XWUPOJNRKLQLKN-KRWDZBQOSA-N 472.615 2.901 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ncc(C)s2)CC1 1722537788 QUCLOOYUJJAQJU-SFHVURJKSA-N 465.645 2.922 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1722562883 PGFFLPAESJSZIA-UHFFFAOYSA-N 465.562 2.992 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722621390 ZIYLKMQXPIZSNV-UHFFFAOYSA-N 484.630 2.522 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1722696606 PYDAYSCJAKEEKD-LJQANCHMSA-N 457.550 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(F)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1722732053 UFAKPDNQUZZLRY-QHCPKHFHSA-N 478.590 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCO[C@H](C)C1 1722749702 JJHDVVYFAZBWPQ-OAHLLOKOSA-N 499.431 2.932 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1723069824 AEOYPUOMCKSEAN-IFMALSPDSA-N 479.629 2.526 30 10 JFEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740578368 AGWBMTOPRWCGRD-NRFANRHFSA-N 468.533 2.566 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(NC(=O)CC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740623164 PJSCBQHXLBNUSB-OAQYLSRUSA-N 469.611 2.815 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1740626546 VLTOSAKVOIZNGO-SFHVURJKSA-N 486.548 2.580 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1740628567 YTKMSIHMKMLBAL-YDZRNGNQSA-N 495.621 2.550 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1740699135 VVFFETKFQXKCHY-UHFFFAOYSA-N 498.676 2.978 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1740720065 VYASSWRNJMXEEC-PKOBYXMFSA-N 456.616 2.980 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccco2)C1 1740721496 LBCYQDGVKYYGOV-QGZVFWFLSA-N 457.581 2.807 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1740735903 AEONWZKJQOCWQK-HNNXBMFYSA-N 469.428 2.704 30 10 JFEE C=C(Br)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740738420 HFKVKOXGLRXCHC-BBRMVZONSA-N 484.782 2.931 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1740750768 UIWGHQQOOOUZDS-OXJNMPFZSA-N 490.008 2.889 30 10 JFEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1740795610 ZCQAHYJHRWFDTC-QFIPXVFZSA-N 482.629 2.752 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740799194 HOEWGDHWQOUYCH-VWLOTQADSA-N 487.576 2.904 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740804424 ZEXXMHOSYXLCSV-UHFFFAOYSA-N 491.843 2.564 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1740828032 UFHWXYNXPSYUOT-UHFFFAOYSA-N 486.374 2.929 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740859014 DYFGYHSGPOQGQL-UHFFFAOYSA-N 495.671 2.565 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1COCCO1 1740914521 TZWKWVSXMGMYQV-NRFANRHFSA-N 473.537 2.795 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1740918420 JLSZMFXEAPLMKC-VXKWHMMOSA-N 452.603 2.779 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1740918858 VUFIDKVASFJDAG-PMACEKPBSA-N 459.616 2.850 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1740958640 FGHSUEWZOWCNSD-IQVDJAOASA-N 452.584 2.886 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1740962109 SOBXYBSGRGGHBC-QGZVFWFLSA-N 489.646 2.677 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C)n(C)c2=O)C1 1740978082 NXOPDGCGWUQMLM-FQEVSTJZSA-N 465.554 2.799 30 10 JFEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1744028591 GKQUXSWUKLMEPI-UHFFFAOYSA-N 461.570 2.760 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2nc(C)cc2C)cc1OC 1746800625 DFJOCLLQLXCNME-FQEVSTJZSA-N 465.558 2.985 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2C[C@@H](C)O[C@H](C)C2)c1 1748694971 WEWDUWNFBGTASN-RTBURBONSA-N 478.597 2.660 30 10 JFEE C#CCCCn1c(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1748762685 PBQRKDMWPPIAOV-NLFFAJNJSA-N 457.619 2.819 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1748809707 PJKNWINUEFAXKU-QGZVFWFLSA-N 486.619 2.893 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809982 YEIVQXDGSJIERF-ZBFHGGJFSA-N 470.426 2.829 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1748816269 YLFUXDKPUCIHGA-IBGZPJMESA-N 487.592 2.837 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)c1ccco1 1748844589 WHXGIKOJNRSALL-DFBJGRDBSA-N 467.570 2.966 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](O)(c1ccccc1)C(F)(F)F 1748960245 FHNRQGDKZNHHFK-QFIPXVFZSA-N 491.470 2.542 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCSC2(C)C)n1 1748970782 RWFBIUKKQGAWSG-IBGZPJMESA-N 468.631 2.693 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NCC(F)(F)F)CC1 1748979610 GWDPQAXVJINFKU-HNNXBMFYSA-N 480.560 2.565 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1748999042 GGIHNIBSWWWCEF-RDGATRHJSA-N 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1722378118 ATDMQAHIZNHCCD-UHFFFAOYSA-N 451.328 2.822 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1cccc(Cl)c1C 1722412959 GEEPMSUGBUWKRI-MRXNPFEDSA-N 463.991 2.630 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)c1c(C)noc1C 1722422297 XLWNGMPDGXOEPU-INIZCTEOSA-N 471.583 2.843 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722430669 HYKVSCAVHPYVOE-VXKWHMMOSA-N 485.654 2.757 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)c(C)c2)CC1 1722438553 YZLMJUUIIQGGCR-JOCHJYFZSA-N 498.603 2.838 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)c2cccs2)CC1 1722440597 BDNYTTIMBMJQHA-DEOSSOPVSA-N 451.596 2.890 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722444613 LJYXITIKDSFZEH-NOXFTYBFSA-N 499.587 2.575 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCc3cc(OC)ccc32)CC1 1722450507 KSLDEJVBMCAVOW-NRFANRHFSA-N 465.598 2.909 30 10 JFEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722457246 VATNFEIKMRUXOL-FGZHOGPDSA-N 480.682 2.938 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722480588 RNONYBQBPORQCH-JKSUJKDBSA-N 453.385 2.713 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722510538 SIXBEFAZWONSKS-GIWBLDEGSA-N 498.628 2.975 30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722534336 NMUXRUWPWXGOCJ-UHFFFAOYSA-N 460.582 2.880 30 10 JFEE C=CCC(C)(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1722593047 GOJJFFINEMHRMW-HZPDHXFCSA-N 485.561 2.734 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccn2)CC1 1722629956 QORCXAXFJZFRCW-UHFFFAOYSA-N 455.513 2.856 30 10 JFEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1722687062 GBCYEOPBTLFXLZ-MJGOQNOKSA-N 457.648 2.637 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722695771 PKEHGUHXYPYDRE-QGZVFWFLSA-N 474.993 2.794 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)O[C@H](C)C1 1722727357 IEWKUJHJMPFCCI-HDICACEKSA-N 497.662 2.607 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1722737749 PZAAPZSIAATLBV-UHFFFAOYSA-N 497.625 2.873 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1740550400 PSEKFRDEZJRWRJ-OAHLLOKOSA-N 495.385 2.792 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740582023 JJLUHYDKPNWEIC-QGZVFWFLSA-N 465.558 2.950 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Br 1740592226 TXVNMAUCUVSVNQ-INIZCTEOSA-N 451.390 2.993 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1740654275 HFYDRHLPTSZHDU-UHFFFAOYSA-N 458.541 2.751 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1740657162 QZHMKXLMLYSVMN-BJKOFHAPSA-N 479.650 2.554 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCC(F)(F)CC2)CC1 1740702818 YFQKKYPPMWKUSA-QGZVFWFLSA-N 467.561 2.793 30 10 JFEE C#CCSCCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1740723120 NHGVEVZWEOLHIH-UHFFFAOYSA-N 480.682 2.761 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740747245 CGZRGAKXPLVSAU-QGZVFWFLSA-N 464.412 2.741 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 1740753224 GYMULUZBGMNTMA-AEFFLSMTSA-N 481.416 2.924 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1740914127 MBNZDIUQEFYFCR-NRFANRHFSA-N 466.586 2.833 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740996466 CHSVUCSFBLYYBZ-SFHVURJKSA-N 477.656 2.620 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CN(C(=O)OC(C)(C)C)C1 1741804502 DJIADZAFXFZTKP-HNNXBMFYSA-N 473.603 2.875 30 10 JFEE CCC[C@@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745162686 FHZCDAONMRCGIQ-AVRWGWEMSA-N 476.585 2.882 30 10 JFEE CCN1CCCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1746417792 AGWIACXPPZSLQQ-ZWKOTPCHSA-N 458.636 2.708 30 10 JFEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748703628 UZAVBILOYNAOAR-INIZCTEOSA-N 467.542 2.820 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1748868428 WXXSHMTUJBOMHL-AREMUKBSSA-N 463.582 2.520 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1748883023 PCVKHNLARDATIF-DEOSSOPVSA-N 484.652 2.867 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1748941046 VKQWSAANXUYFKN-LJQANCHMSA-N 496.568 2.529 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCc1cnc2c(Cl)cnn2c1 1748964528 FGZRHIPCDRPZIY-UHFFFAOYSA-N 470.990 2.659 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(Cl)cc2)CC1 1749005459 WKBAHRDLLHIVNV-KRWDZBQOSA-N 459.978 2.670 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1749006614 UROHVVPMEVRBII-KRWDZBQOSA-N 484.601 2.973 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2scnc2C)CC1 1749016764 NGVIQTOCEFMYJR-UHFFFAOYSA-N 454.625 2.904 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@@]2(CCOC2)C1 1749048292 MKVVKFISANSBNY-QHCPKHFHSA-N 458.584 2.618 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1749175437 ZOCSUNGCNOQJBS-UHFFFAOYSA-N 473.647 2.817 30 10 JFEE C=C(C)COCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749240172 UNLPXIJPIOOETM-NXMSCROESA-N 476.622 2.604 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1749241899 VZIRTYSTILXQAW-OAQYLSRUSA-N 457.550 2.753 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1)c1ccccc1 1749384904 JIHMTQKTYJDRFK-NHCUHLMSSA-N 471.627 2.645 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749658369 OHLYPKNTYSJVHJ-UHFFFAOYSA-N 483.020 2.573 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749724103 HEHLHFGRDICWQG-UHFFFAOYSA-N 471.627 2.557 30 10 JFEE CC(=O)N1CCC(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749807495 BSAUMBOBSIZCFA-XMMPIXPASA-N 467.549 2.848 30 10 JFEE CC(=O)N1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)CC1 1749810028 HSVSKUFRSZDZNV-IBGZPJMESA-N 464.343 2.736 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1760106157 YOUYRRQUKYITEE-YLJYHZDGSA-N 479.589 2.928 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760189259 SYBVYTQUIWSTSD-RBBKRZOGSA-N 499.637 2.586 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760223164 NDTQBLKDGOFTTO-ISKFKSNPSA-N 495.649 2.833 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)C 1760247487 CQQOLVTZQHBGHD-XXBNENTESA-N 478.597 2.729 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1760264614 USFCCNKKDUXIIT-HKBQPEDESA-N 464.035 2.813 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)CC1 1760266536 CQVCHFYWVQKUCP-UHFFFAOYSA-N 473.625 2.905 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760285417 FQORIPARRSBLBO-UHFFFAOYSA-N 481.626 2.725 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760300791 LULJBZIEVKBUJM-KBPBESRZSA-N 464.430 2.581 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2F)CC1 1760310506 HZFLUJYJBRYAKA-UHFFFAOYSA-N 463.355 2.775 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1760397251 PICNNLYYXTUVJU-GHTZIAJQSA-N 489.642 2.815 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1760440649 NWUYWIYTHAUKHN-SJORKVTESA-N 463.570 2.857 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1760495616 SJQGMGVTIRBTRV-QGZVFWFLSA-N 453.609 2.616 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1760516647 SBWKDFAIQYYOQK-QAPCUYQASA-N 472.546 2.894 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1760525940 XXEQOODOQRAVLE-IBGZPJMESA-N 450.612 2.943 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCc2ccccc21 1760549097 WICGISMHVHPIHG-LJQANCHMSA-N 466.567 2.650 30 10 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468.989 2.706 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539132850 CERKJVSYIKVJCO-UHFFFAOYSA-N 498.385 2.620 30 10 JFEE C=CC1(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CN(C(=O)OC(C)(C)C)C1 1539201840 DCTSFKJHCPCDPO-HSZRJFAPSA-N 456.543 2.774 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1539212175 SURPJPZBRYPAAZ-FQEVSTJZSA-N 480.638 2.708 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(C(N)=O)nc1 1539238447 XLZYOVWTYHCHAD-UHFFFAOYSA-N 463.545 2.968 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1539468322 DMIOSYPXSJRTIK-IBGZPJMESA-N 482.604 2.781 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1539514402 YWIQSVWVTCDYBT-UHFFFAOYSA-N 481.626 2.779 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1539772014 CRKJRDSEYCIHFZ-SFHVURJKSA-N 487.070 2.780 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1539890004 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454.918 2.796 30 10 JFEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)CC1 1555428165 BWJKBOWRJHFWOU-ZEQRLZLVSA-N 457.575 2.912 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 1570215163 XJDQYCYLHRBCLM-UHFFFAOYSA-N 458.334 2.519 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1587569349 WUKHPJBVGYAQJS-CJFMBICVSA-N 453.587 2.581 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCN(C(C)C)C2)c1 1587689867 RVHGTSLWFZCPPR-NRFANRHFSA-N 472.597 2.912 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCn2cccn2)c1 1587693996 ZHOQWBCOYSYUIS-UHFFFAOYSA-N 454.538 2.607 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1587696959 DVMPENQYSQLSPL-FQEVSTJZSA-N 463.586 2.876 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2nc(C)c(C)s2)c1 1587697010 HIAMIRZZAGTDKP-UHFFFAOYSA-N 491.621 2.773 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588045035 FTUMIRKCWGETDL-IIBYNOLFSA-N 495.443 2.741 30 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C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)CNC(=O)OC(C)(C)C 1690074324 YOFAISDKMLXEFQ-UHFFFAOYSA-N 466.489 2.625 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H]1COCCO1 1690088266 GQIHFZXHHBOMMJ-XUZZJYLKSA-N 458.534 2.515 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690115758 SAWSKKCWQDOSGP-SFHVURJKSA-N 461.397 2.922 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCOc2ccc(F)cc2)CC1 1690128367 BRDFTQTYEYIYCG-UHFFFAOYSA-N 454.575 2.997 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OCC=C)CC1 1690142100 IDTGENQAHKOGDK-UHFFFAOYSA-N 458.566 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1690146604 RXGOAJPJDDSRNO-JOCHJYFZSA-N 493.612 2.627 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccs2)CC1 1690155768 OGIKNEPFVAQVGR-UHFFFAOYSA-N 467.624 2.676 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCN(C(C)C)CC1 1690196362 HTPWBHVMGRZUMR-XMMPIXPASA-N 485.654 2.576 30 10 JFEE 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30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)C(=O)OC(C)(C)C)C1 1286805506 SOVBMTLJAQCDJY-NTKDMRAZSA-N 479.622 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1286820649 OSAZQWKHJGMZEE-CABCVRRESA-N 452.527 2.785 30 10 JFEE CN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(=O)OC(C)(C)C 1298678777 DRXKVNDUFUVVBE-RUZDIDTESA-N 497.600 2.687 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCOCC1 1300268508 RIJZXUDFQPBHEV-GHTZIAJQSA-N 473.021 2.676 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300295703 LDZZGEAKJUZCJD-AUSIDOKSSA-N 461.614 2.837 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1300484910 SIISKIZJTZZWLZ-OTWHNJEPSA-N 476.574 2.611 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1300488651 UCBPCXAVUMKPTF-NRFANRHFSA-N 465.579 2.608 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300489903 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30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1 1740983195 DBNBZGMOSMQGQA-RTBURBONSA-N 476.622 2.827 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1741003253 QHJSRZSGVRHMOX-NRSPTQNISA-N 491.683 2.913 30 10 JFEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1741103289 AVNRHRDEDYYPPP-IBGZPJMESA-N 485.470 2.620 30 10 JFEE CCN(CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1746308286 ACCDNCVZAVCWFK-AEFFLSMTSA-N 492.671 2.532 30 10 JFEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1747534674 FWDWYRHAQYAJLH-UHFFFAOYSA-N 477.613 2.914 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 1748121437 FWZJQPXAFMNZDQ-QMHKHESXSA-N 468.583 2.516 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748808074 HLWXRVWVRYLCOR-LSDHHAIUSA-N 497.440 2.741 30 10 JFEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1748818242 XYNNPOUQWJEGAB-IBGZPJMESA-N 491.658 2.819 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccc(F)c1)N(C)C 1748887932 JKNFXYIOYRJPNQ-NRFANRHFSA-N 462.529 2.911 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)CC1 1749003814 WWWYAKRRNDXLLB-MHZLTWQESA-N 479.625 2.917 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@](C)(O)c2ccco2)CC1 1749015277 BDJHNTOBTWSGHT-SANMLTNESA-N 461.566 2.530 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OC)C1 1749038252 PGLUBAGTEWYIFV-QZTJIDSGSA-N 465.620 2.568 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749084368 RCYIFLLPWJYFJZ-WBVHZDCISA-N 473.375 2.771 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749115610 UDYMCTWUASRQTJ-SQNIBIBYSA-N 484.439 2.899 30 10 JFEE C=C(C)COCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1749241173 GSWJJMVMHKCTSW-QFIPXVFZSA-N 453.587 2.682 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)CC1 1749302898 AOPINGGSSFISFN-QGZVFWFLSA-N 453.609 2.594 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1749383353 VXEGTXGRGZEXFU-PZJWPPBQSA-N 488.658 2.553 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749402031 HXNDKGTZPOYJKM-LJQANCHMSA-N 467.636 2.841 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(Cc1ccnn1C)C1CC1 1749652462 OVXFBXWTOLUCSZ-UHFFFAOYSA-N 470.375 2.912 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1749730491 GEGHTHQZROSYSO-QHCPKHFHSA-N 486.598 2.590 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](c3nc(C)cs3)C2)nnc1[C@@]1(OCC)CCOC1 1749739609 HQVXXKGXKCBMRD-XMSQKQJNSA-N 495.671 2.680 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1749745028 UFARNTXXKQFFOZ-UHFFFAOYSA-N 498.074 2.794 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)C(F)(F)[C@H](C)C2)CC1 1749885959 ZOUMMFGCMCJFLI-HDICACEKSA-N 471.556 2.708 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760189538 VGOCZLPRLWLUMN-WOJBJXKFSA-N 464.632 2.538 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760190937 WZXNPVSTKMRUPM-SFHVURJKSA-N 485.635 2.571 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)CN1CCOCC1 1760209120 VMIRRISDPMFDMS-FQEVSTJZSA-N 462.598 2.578 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1760240747 AORKHGDWMBHDOL-UHFFFAOYSA-N 453.543 2.944 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1760256488 HGZFJCQYJLSRBC-NVQXNPDNSA-N 467.614 2.850 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nc(C(C)(C)C)cs2)CC1 1760265328 XHWRFFYREPOMQZ-RXVVDRJESA-N 472.659 2.754 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760323198 BIIKTUHVWZKPAX-UGKGYDQZSA-N 494.621 2.986 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1760351843 LCNJKBDVJITDGP-UHFFFAOYSA-N 464.611 2.750 30 10 JFEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1760363094 DWYGTTFNWWELDG-MJGOQNOKSA-N 483.560 2.966 30 10 JFEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 1760469090 UEBPKFOFVSATIO-SLFFLAALSA-N 461.655 2.697 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)nn(C)c1C)C1CC1 1760469586 KGKCXSGZNABTMT-UHFFFAOYSA-N 469.615 2.749 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COCC)C1 1760529057 VYTDLEDETWIJAL-MSOLQXFVSA-N 462.595 2.515 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OCC(C)C)CC2)cc1 1760529328 CKLPODSGDCIUAC-OAQYLSRUSA-N 482.585 2.757 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760530366 OIFXBGHZYUZRHK-OXQOHEQNSA-N 460.529 2.593 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1760533244 OGCYXHWTVULAGE-PMACEKPBSA-N 460.600 2.799 30 10 JFEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)N(C)Cc1ccccc1 1764909265 HWZJMLNOLODSCQ-IBGZPJMESA-N 461.618 2.601 30 10 JFEE CCCC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 1765423811 BJEUGSUOEYLSCP-RTWAWAEBSA-N 466.586 2.898 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C1 1765679769 HDLTZUZFCPWKMI-QGZVFWFLSA-N 486.520 2.589 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(CS(C)(=O)=O)c2)CCOC1 1765869763 BFFVBCHBXLINCC-DEOSSOPVSA-N 487.626 2.653 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1772555221 CGSKEPLSHAKTKG-JOCHJYFZSA-N 495.671 2.681 30 10 JFEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1 1862607135 HNVXMIAYXSEJLP-HXUWFJFHSA-N 456.882 2.826 30 10 JFEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862704364 YBSLJXSIZYPABN-JOCHJYFZSA-N 478.501 2.984 30 10 JFEE CC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc(C#N)c1 1867249526 AXSQVFPHMIEOLB-MSOLQXFVSA-N 482.342 2.889 30 10 JFEE COc1ccc(CCNC(=O)[C@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)cc1OC 1869933357 DYIKHTPUXGRSPE-HSZRJFAPSA-N 479.558 2.843 30 10 JFEE CCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(C(=O)NCCN(CC)CC)cc2)cc1 1870141770 JSDYAJYNFSTXAN-UHFFFAOYSA-N 475.553 2.862 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870758006 KDKTVJUEBLXNQC-UHFFFAOYSA-N 459.550 2.769 30 10 JFEE CCCCCCCCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCN(CC)CC2)n1 1871509636 GMACTZZXKSAUPH-UHFFFAOYSA-N 490.678 2.599 30 10 JFEE CCCCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701803 GMNZHLSBSLQELB-UHFFFAOYSA-N 470.622 2.679 30 10 JFEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3cccc(OC)c3OC)CC2=O)cc1 1874197815 BQIMUYYYMAJRME-NFXIUMSZSA-N 497.577 2.791 30 10 JFEE CC(C)(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2ccccn2)CC1=O 1874273474 GFZGPSJNJFDECW-VXHUXDJESA-N 484.611 2.857 30 10 JFEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(C(F)(F)F)cc2)CC1=O 1874273928 NEHCNJZHQPKYSX-NUTQHHJPSA-N 468.505 2.871 30 10 JFEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874474759 RGQZOKSAJAWDCL-CVKSISIWSA-N 499.593 2.784 30 10 JFEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nncn2-c2ccc(F)cc2)[C@@H]1c1ccc(C#N)cc1 1889980935 GJANMPVCJZCHLX-XZOQPEGZSA-N 478.553 2.988 30 10 JFEE CCc1nccn1CC1CN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C1 1890175484 HJSLXEDRWCPFOY-GOTSBHOMSA-N 451.596 2.869 30 10 JFEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1892024514 WIVGZIUUZBXGBZ-ZBFHGGJFSA-N 496.014 2.676 30 10 JFEE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060632443 AVWYLYDAAPPBRM-KRWDZBQOSA-N 450.410 2.858 30 10 JFEE CC1(C)OB(c2cnc(N3CCO[C@@H]4CCN(Cc5ccccc5)C[C@@H]43)c(F)c2)OC1(C)C 2172704355 VZDQYUZWUVQTLF-FCHUYYIVSA-N 453.367 3.000 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)O1 2185158232 IKZSTMYSFMMCQQ-MOPGFXCFSA-N 460.380 2.674 30 10 JFEE Cc1ncnc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2185514022 ZKLUDKRCPYSRPP-SFTDATJTSA-N 450.392 2.564 30 10 JFEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N(CCN)Cc2ccccc2)OC1(C)C 2247952503 OKABEAGAQFMOIZ-UHFFFAOYSA-N 450.797 2.789 30 10 JFEE C[C@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255541227 YRAICAFKZGEIFP-DZGCQCFKSA-N 451.398 2.818 30 10 JFEE C=C(CS(=O)(=O)N1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255772117 AITOPHPNMWZAOY-RDJZCZTQSA-N 458.430 2.987 30 10 JFEE C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255799670 MCXILSDMPIZRQQ-MRXNPFEDSA-N 466.434 2.545 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2255837822 WCKLPOHIZWTAPH-OKILXGFUSA-N 451.760 2.820 30 10 JFEE CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255856009 VNBITEBGFDYWPL-AWEZNQCLSA-N 452.382 2.661 30 10 JFEE CCc1nc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2256403068 YOHZFVVSCNRDFX-KHPPLWFESA-N 451.398 2.815 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(F)(F)F 2256627311 UMBXQXSDPDKWHR-LLVKDONJSA-N 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C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(N2CCOCC2)nc1 1588292914 GMCHWWIEZFPVBV-UHFFFAOYSA-N 462.554 2.702 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCN2CCC(O)CC2)CC1 1588864967 NLKJGNWNQGSUTI-UHFFFAOYSA-N 494.684 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1588884812 NSNDXDUGRKIRDC-IFMALSPDSA-N 486.661 2.614 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1588899009 KLYMRVOXXPITIL-JOCHJYFZSA-N 476.625 2.732 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1589316439 BTIOECYALDEPBK-OAHLLOKOSA-N 470.349 2.775 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1589495381 QLZLGRGIVQXDKM-ZVZYQTTQSA-N 461.364 2.756 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1589721855 FNIXVUROYJUKCJ-LJQANCHMSA-N 484.402 2.960 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1593757844 OUTFDXIRXBMWFA-JOCHJYFZSA-N 451.575 2.575 30 10 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30 10 JFEE N#Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc2)c1 1858444261 CUZAVYLPLLNWGL-UHFFFAOYSA-N 455.474 2.897 30 10 JFEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2nc(-c3cccc(OCCC)c3)[nH]c2c1 1860954772 HGPOQDAVKURJLW-FQEVSTJZSA-N 463.538 2.685 30 10 JFEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3ccc(OC)c(OCC)c3)[nH]c2c1 1861409555 YZPUDNRHBXWDLN-XLIONFOSSA-N 464.522 2.515 30 10 JFEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCCN2CCOCC2)c(OC)c1 1862604669 VSPJYZVMKMBZIK-XMMPIXPASA-N 494.544 2.876 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1F)c1ccc2c(c1)OCO2 1862627747 RPXLOGFJNMVGDV-QFIPXVFZSA-N 486.471 2.994 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1 1862757827 QQFPLGOYCXFZCY-NRFANRHFSA-N 495.488 2.594 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCn2ccnc2)=C(N)Oc2c1c(C)nn2CC 1864318841 GLOCENGKRYIHTO-OAQYLSRUSA-N 462.554 2.874 30 10 JFEE N#Cc1ccccc1NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 1866863421 VGAGTUOVCVLRGV-GBXCKJPGSA-N 468.513 2.983 30 10 JFEE COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)cc1S(C)(=O)=O 1866893193 OWMUUOFAJLLTKE-OAQYLSRUSA-N 477.542 2.950 30 10 JFEE CCCCCCCCC(=O)Nc1nc(N2CCN(C(=O)OCC)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1870072983 WLALUUUTXCBLTR-GOSISDBHSA-N 498.650 2.605 30 10 JFEE N#Cc1ccc(COc2cn(CCc3cnc[nH]3)c(CN3CCC4(CC3)OCCO4)cc2=O)cc1 1870349704 ZWAAFFYWZUIOSV-UHFFFAOYSA-N 475.549 2.604 30 10 JFEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870836327 JLBXAEYHRAKRGY-QGZVFWFLSA-N 451.589 2.838 30 10 JFEE C=CCN(CC=C)c1nc(=Nc2cc(C(=O)OC)ccc2C(=O)OC)nc(N(CC=C)CC=C)[nH]1 1871736841 JHTFGGYBEAHKHW-UHFFFAOYSA-N 478.553 2.967 30 10 JFEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccccc3)n2/N=C/c2cccc(O)c2)CC1=O 1874341976 XIKBAWVDCYAJKM-RXJBCPCZSA-N 492.605 2.999 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cc(C)ccc1O 1874432198 SGMDOKOIKHIXIJ-YSURURNPSA-N 456.503 2.680 30 10 JFEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 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CCCS(=O)(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC)CC1 2297650789 SRFPYHYMPIMRAA-MOPGFXCFSA-N 486.560 2.827 30 10 JFEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301495385 WLUZDIACFJZLNP-WOJBJXKFSA-N 452.617 2.901 30 10 JFEE COc1ccc(CCc2nnc(S)n2N=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC 2322233723 FFMMHUIKJDKPHX-UHFFFAOYSA-N 459.484 2.874 30 10 JFEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccccn1 2325881272 YMOVNKQIEIMMND-QGZVFWFLSA-N 493.593 2.703 30 10 JFEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc(OC)cc3OC)CC2=O)cc1 2325882370 LMUCNDYIOAGTFY-QGZVFWFLSA-N 497.577 2.791 30 10 JFEE COC(=O)c1ccc(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SCC(N)=O)cc1 2327172155 BEODXKZDOOCOPH-UHFFFAOYSA-N 467.551 2.844 30 10 JFEE COc1ccc(CC(=O)N[C@@H]2CCNC[C@@H]2C(=O)C=Cc2ccc([N+](=O)[O-])s2)cc1OC 2328219244 DNODUUNEJXTQMK-DLBZAZTESA-N 459.524 2.593 30 10 JFEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2OC)cc1 2328574520 UBSAHBIKQALICY-UHFFFAOYSA-N 455.540 2.549 30 10 JFEE COCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cc(OC)c(OC)cc1OC 2331589553 TXTODWIRKYJSDY-UHFFFAOYSA-N 477.587 2.874 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1(F)F 2336779430 YGGZOBATZKQDKF-HXUWFJFHSA-N 455.311 2.688 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2359268425 MJMFZJZXJSJNKG-KBAYOESNSA-N 457.380 2.817 30 10 JFEE Cc1sc(C(=O)N[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2359279537 NUTNUVXMHIDEPR-HYVNUMGLSA-N 478.420 2.720 30 10 JFEE COc1[nH]c(=N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2365348246 OBDJHPMUISEQAP-OAHLLOKOSA-N 469.338 2.868 30 10 JFEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)c1ccc(Br)cc1I 2367737487 OLYXZKOWZLINNT-ZDUSSCGKSA-N 468.154 2.895 30 10 JFEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1 18760966 AJGCFMQOLDYYTA-LMKMVOKYSA-N 465.481 2.711 30 10 JFEE CCOc1ccccc1NC(=O)CCSc1nnc(N/N=C/c2ccc(C(=O)OC)cc2)n1N 20914033 SZPNYBFXHDMCCD-ZVHZXABRSA-N 483.554 2.744 30 10 JFEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F 20914564 KUYHPSXKFYVTEY-NUGSKGIGSA-N 451.434 2.893 30 10 JFEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)c(O)cc3[N+](=O)[O-])n2)c(C)c1 59040036 ITPAEARVHQQZJS-ZVBGSRNCSA-N 487.498 2.921 30 10 JFEE CCN1C(=O)/C(=C\c2ccc(OCC(N)=O)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 254348826 JVQMLYSVAKTVOC-ZGKGBVRBSA-N 469.519 2.970 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)CC1 512710601 VYBMJHLAKPHFBT-UHFFFAOYSA-N 464.570 2.949 30 10 JFEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Br)ccc3OCC)N2N1 588227177 QBGWLVPLHZXEHU-LJQANCHMSA-N 471.380 2.910 30 10 JFEE CSc1nc(O)c(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1C#N 589697947 ZQDGQXUMVQYTFL-LBPRGKRZSA-N 466.519 2.835 30 10 JFEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1OC 1084329747 ZVQWRBMYJGEJHL-UHFFFAOYSA-N 483.554 2.779 30 10 JFEE CC[C@H](C)NC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084529184 IPYMNFDTASMGHH-INIZCTEOSA-N 497.629 2.588 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OCC 1132415565 ZSSUZNVPBGBGBR-LJQANCHMSA-N 456.992 2.984 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNc1nccc(C(F)(F)F)n1 1286301243 BMPRJMCFKDUONK-CYBMUJFWSA-N 478.504 2.648 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1286308995 NEACXZLUJHCPGQ-QFIPXVFZSA-N 466.630 2.989 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286322489 FPKWEBWJKFRWDX-VQTJNVASSA-N 491.683 2.555 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286345331 NNEWTWCKOTTYHO-UHFFFAOYSA-N 454.575 2.960 30 10 JFEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1286395160 QYSSWDSCBOWTOY-OAQYLSRUSA-N 497.669 2.681 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CN1CCCC1 1286410527 UOMVYYCVYAIPEM-OAQYLSRUSA-N 484.645 2.781 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@H](C)C1 1286415505 KXKZUXVVIFZFEO-RPWUZVMVSA-N 460.626 2.531 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC1CC1 1286424710 IGJQSEKQTHUMCE-UHFFFAOYSA-N 470.371 2.705 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286499734 NWCAABTZDAFMIC-RTBURBONSA-N 455.584 2.576 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSC[C@H]1C 1286605951 BMNRPKQJLKXVNQ-MRXNPFEDSA-N 450.634 2.773 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286611181 GDEPRJKNNLQEHA-NRFANRHFSA-N 493.605 2.762 30 10 JFEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(Oc2ccccc2F)c1 1286713407 FDLZJQCFPXMJRA-OAHLLOKOSA-N 460.535 2.885 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCC1 1286744074 CKGAXBCEDLOZRF-KRWDZBQOSA-N 465.595 2.915 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CN(C)CCC)C1 1286779429 ISTHEXHWWYTZPX-HNNXBMFYSA-N 464.412 2.506 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286784653 OXWFDFSXAVDYOC-UHFFFAOYSA-N 450.587 2.913 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccc(F)cc3F)CC2)C1 1286801143 WNNUDODMGPPFFR-RDJZCZTQSA-N 481.569 2.680 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1286802456 BJNMXWNKTDXXLT-CYFREDJKSA-N 459.566 2.965 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(C(N)=O)nc2)C1 1286804734 MBLUGOPGELPFQO-QGZVFWFLSA-N 468.945 2.931 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)N(C)C)c2)C1 1286811663 DHTXDRHBCUGEGP-JOCHJYFZSA-N 463.586 2.671 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286815560 WYAMEUOQEBZLRY-FQEVSTJZSA-N 456.572 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286817797 YHHYHCLQPXXUKK-IBGZPJMESA-N 459.616 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCc3sccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1286825308 OZFKLRIOYSFXJX-QFIPXVFZSA-N 480.656 2.934 30 10 JFEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCS1 1293539841 BDUNQBZPAKFPJW-QUCCMNQESA-N 454.600 2.643 30 10 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C=C(Br)Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300861485 JBAHCWWVQPFTLF-IBGZPJMESA-N 457.369 2.617 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1300936828 NBCRJHFEHFLSMY-FQEVSTJZSA-N 461.632 2.862 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301113703 CEYNXJJLHIUASM-QGZVFWFLSA-N 450.996 2.820 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC(C)CC2)CC1 1301123193 ABFCTLBERRQRLE-QFIPXVFZSA-N 494.706 2.526 30 10 JFEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301189230 TVSKIJGWTLEDEB-NRFANRHFSA-N 475.615 2.913 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCOC1 1301350419 XQBBROHTGJNDJK-BJKOFHAPSA-N 460.550 2.802 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1301485515 WRIZYAYDWDNEIM-IAGOWNOFSA-N 461.632 2.803 30 10 JFEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1301498371 NLQFUGIVOXXGKD-UHFFFAOYSA-N 452.559 2.697 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1301597009 HHQVQFAFPVZZRU-GOSISDBHSA-N 453.410 2.667 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301615181 HJAUJZCSUMGHII-HXUWFJFHSA-N 459.591 2.755 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ncccc2F)CC1 1301618795 ZCENYUUGSLRINS-UHFFFAOYSA-N 460.579 2.902 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)N(C)C 1304058530 HFFRDHXYBHTUBZ-ZHRRBRCNSA-N 458.636 2.627 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOc1ncccc1F 1305520007 AMBRVPIMAKMVGN-KRWDZBQOSA-N 450.522 2.998 30 10 JFEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 1307301272 GHPVWRQYJIIUIG-YWZLYKJASA-N 451.918 2.971 30 10 JFEE C#CCSCC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 1351630534 KQVDQGOIZKIQIB-GDNBJRDFSA-N 456.492 2.816 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCN(C(C)=O)CC1 1358897182 UZDXTRXIJZJGAD-NRFANRHFSA-N 466.630 2.911 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 1358961100 ROIQRSQIHJLOLB-NRFANRHFSA-N 479.606 2.998 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1358967517 LZFQQVPHPHOZQU-IBGZPJMESA-N 483.594 2.699 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCC2(C1)OCCO2 1358987458 HJCDPOWTPAUVLB-LJQANCHMSA-N 480.565 2.977 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1359015999 LVLHFRPUMLXNPU-UHFFFAOYSA-N 498.364 2.902 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSCc2ccc(C)cc2)CC1 1359040529 YUGPUBZDCNYETI-UHFFFAOYSA-N 482.654 2.624 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnccn2)CC1 1359080008 CLCPNHJUQGBPMC-UHFFFAOYSA-N 456.348 2.979 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359128474 VFRUEZOJTVRBPE-SFHVURJKSA-N 462.558 2.984 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359134747 FYJYTEVQWWUYCD-FQEVSTJZSA-N 460.648 2.775 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2([S@](C)=O)CC2)CC1 1359175435 LNYRTYNTVXSFBS-HKBQPEDESA-N 477.656 2.509 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)C(C)C 1359266212 WRKZNFDCFSQXSF-GXRSIYKFSA-N 456.635 2.728 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359303276 IYNZEWJKCUQOEJ-LJQANCHMSA-N 465.627 2.705 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2CC)C1 1359319571 BLQBYZWRLLDLSX-OALUTQOASA-N 486.621 2.834 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC(C)(C)C)C1 1359321492 HDXRYHAARZZCPX-FXAWDEMLSA-N 455.559 2.877 30 10 JFEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCC(N)=O)CC1 1359339929 VGMFIRNFFYTWKE-UHFFFAOYSA-N 452.584 2.883 30 10 JFEE C=CCN(C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)[C@H](C)COC 1479002339 DHQJPMUONALQLD-GOSISDBHSA-N 454.612 2.857 30 10 JFEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@@H]1C 1502262610 BARGEIIQZQTRMN-OALUTQOASA-N 453.591 2.562 30 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10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)CC1 1507748604 PPICTFVEVSBSNT-UHFFFAOYSA-N 454.478 2.904 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507803487 GAGCJHCVZNLPMJ-SXLOBPIMSA-N 476.622 2.893 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507804718 MGNPQDMWYLGCIJ-XKCSPQBFSA-N 473.643 2.629 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)C1 1507843219 UBMHOHIJPFXOFU-MRXNPFEDSA-N 450.634 2.773 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2(C)C)CC1 1507903975 VXSZRTZMPSDULF-MSOLQXFVSA-N 469.677 2.545 30 10 JFEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507934250 ZOXBVOHBZNSRBD-UHFFFAOYSA-N 452.603 2.707 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1507944232 PYBYVEWCWSHZIV-VQTJNVASSA-N 460.648 2.955 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1508027458 ZSTWMQBYAFBENK-IBGZPJMESA-N 475.018 2.965 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1508096450 AGUXNAQUFKSXAZ-UHFFFAOYSA-N 464.614 2.745 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(=O)(=O)c2ccccc2)C1 1508115099 HTTJLFMQTVRBDB-SFHVURJKSA-N 489.001 2.753 30 10 JFEE C=CCSCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508157150 BURDSVHKXZMZSS-KNQAVFIVSA-N 454.644 2.853 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508168805 YVGGQUWDCHDXEL-IRXDYDNUSA-N 463.629 2.573 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCn2ccnn2)cc1 1508472228 GFOSUXDXIFYQRN-HXUWFJFHSA-N 450.547 2.565 30 10 JFEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539139578 FUBIVNPKVOROHR-RBBKRZOGSA-N 496.681 2.981 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1539259162 AHROOTUFENEELJ-KRWDZBQOSA-N 475.553 2.922 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539296997 XCLHLRFWSRKWKL-LPHOPBHVSA-N 468.945 2.523 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1539407784 OWYSKYWWMYARCW-OAQYLSRUSA-N 464.614 2.880 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2nncn2C)CC1 1539431983 WYFVHGXGFTZSBR-GOSISDBHSA-N 468.993 2.620 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1539434894 XFBKGSRXJYOSCA-QFQXNSOFSA-N 498.697 2.614 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)CN2CCCC2)CC1 1539489072 QDJAXARLZADQEY-JOCHJYFZSA-N 478.641 2.863 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539525819 DBQUIXSOFCYSOH-OAQYLSRUSA-N 490.427 2.702 30 10 JFEE C=C(Br)Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539609815 SIKBBHCXGYTWJT-HXUWFJFHSA-N 470.412 2.532 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539628164 ODKCJHPOLGBQMS-DENIHFKCSA-N 488.658 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1539640885 KHRWNSDKCMSUOA-UPVQGACJSA-N 450.587 2.990 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCn2ccnc2)C2CCSCC2)ccc1F 1539864906 JAWJYRNOENDETD-UHFFFAOYSA-N 452.577 2.525 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC(C)C)CC1 1539889959 FKRZKEKVBITCQL-HXUWFJFHSA-N 461.588 2.521 30 10 JFEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1540027401 VVDFRDKYDSTEPG-UHFFFAOYSA-N 454.560 2.639 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1540027945 HCVHAGCDHYRQFU-UUOWRZLLSA-N 458.559 2.939 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccnc1N1CCOCC1 1540194320 KDHWPOGGKVEHHA-UHFFFAOYSA-N 469.977 2.912 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540864323 WKEJUDCNDMQEBQ-JOCHJYFZSA-N 479.629 2.849 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1540870287 JIMVBGBCMRVOMS-FQEVSTJZSA-N 467.574 2.612 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1554806419 GZSRWGPRMZEZHO-DJJJIMSYSA-N 498.378 2.593 30 10 JFEE C=CCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1565628566 WMZLJMRFMHQGJI-UHFFFAOYSA-N 453.914 2.794 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 1567655393 RGSHIIGCVQUQPT-UHFFFAOYSA-N 452.536 2.986 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1 1568526794 MABVNJHDYSYWCD-UHFFFAOYSA-N 452.559 2.631 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588069377 MMTTVEIHHPZKAB-SJLPKXTDSA-N 489.598 2.883 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCN1CCOCC1(C)C 1588117704 NNLNJPBLUSKHCN-UHFFFAOYSA-N 456.388 2.891 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCN1CCC 1588219394 SAQZHLBRZOKKJN-NRFANRHFSA-N 471.609 2.919 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1N1CCOCC1 1588251661 URSRDOLNQINJKW-UHFFFAOYSA-N 471.609 2.796 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(=O)NC)c1 1588259270 YABUZSDKCZUAOS-SZPZYZBQSA-N 490.608 2.920 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[C@H](O)C2)n1 1588723030 IXJPDRCRWPOAFX-HJNYFJLDSA-N 456.591 2.554 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1588800880 QBTHHVXDVLBIDD-FQEVSTJZSA-N 460.582 2.991 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1588885062 RVTGMTNOXOYDCT-FQEVSTJZSA-N 484.670 2.676 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCn2ccnc2C)CC1 1588914188 ZTDODRHPAUSPNF-UHFFFAOYSA-N 461.570 2.515 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1589109845 KVFAANMHZKCPCB-UHFFFAOYSA-N 463.611 2.957 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CCOC)CC1 1589559301 PSCWWRWHXKMDBA-ZJSXRUAMSA-N 455.603 2.627 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589567251 CHEKUSQAUDTPSW-SCWSEQNSSA-N 464.563 2.601 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1589589982 RIRQVIQMKPEDMG-BEFAXECRSA-N 475.537 2.741 30 10 JFEE 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2.717 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1595884016 FMZWFBNZMRFWFD-IRXDYDNUSA-N 453.609 2.731 30 10 JFEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)C[C@H](C)O1 1612994644 CCXKAXUKUKRRMB-ROUUACIJSA-N 450.547 2.705 30 10 JFEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1619575815 DCHUVLOLETWFIT-ZPGVXSSASA-N 493.656 2.916 30 10 JFEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)CCO1 1619753337 BLZWIEJZQLNGNB-NZQKXSOJSA-N 468.602 2.701 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C 1619938815 GOEIRGKINNGRNM-HXUWFJFHSA-N 479.629 2.765 30 10 JFEE C=CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)[C@H]1CCS(=O)(=O)C1 1625390067 RISPRMXVXVRZOK-KRWDZBQOSA-N 450.463 2.738 30 10 JFEE CC(C)(C)OC(=O)N1CC(O)(CN(CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2)C1 1648207951 BPKHXGWCPMGHAX-UHFFFAOYSA-N 450.539 2.981 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCCC1 1649539086 JDZOYBRGHNNTKH-QGZVFWFLSA-N 457.648 2.879 30 10 JFEE N#Cc1ccc(C2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)N3CCCC3)CC2)cc1 1664518281 DNYVYNXKBFWRGJ-UHFFFAOYSA-N 459.593 2.911 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1 1667321596 AXIZZTNLKYVXOR-LJQANCHMSA-N 450.605 2.600 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN(C(C)C)C2)c1 1689870087 AXRKSLVSGPQOJA-OAQYLSRUSA-N 474.613 2.855 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1689932015 OVBLSBRCTAKWFR-VQTJNVASSA-N 488.633 2.741 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690039914 WVKRHYDPVCRNSH-JTHBVZDNSA-N 481.622 2.621 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](OC)C(C)(C)C)CC1 1690122289 MOEPYDFWJLUMQW-QFIPXVFZSA-N 491.640 2.881 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1690132113 IBUXKSCCPOPAPQ-CJFMBICVSA-N 483.686 2.535 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CC1 1690132323 OFRLFGXWITWGEV-UHFFFAOYSA-N 461.614 2.606 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N(C)C2CCCCC2)CC1 1690135067 PFAGVIFIFQQZCP-FYYLOGMGSA-N 470.662 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCC)CC2)CC1 1690139623 UZVUOUQNQBNLSS-UHFFFAOYSA-N 473.625 2.905 30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690315485 BUYOKFOVKMTXRS-FQEVSTJZSA-N 465.554 2.927 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690508223 DJEZMHKHRJQSLF-AQNXPRMDSA-N 488.633 2.700 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1690603808 IOSZLWVLVMJCNN-OAQYLSRUSA-N 466.586 2.943 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCS(=O)(=O)c2ccccc2)C1 1690693422 ASYDTVCNUYDXJN-LJQANCHMSA-N 453.568 2.985 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1690696809 JJYKVKMULOKGOP-IFMALSPDSA-N 453.635 2.703 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1691555305 GXEKGZODFBDMQL-HSZRJFAPSA-N 466.977 2.994 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[C@@H]1CCCCO1 1692535826 FJSIAWGMVGXDPF-IBGZPJMESA-N 469.565 2.713 30 10 JFEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)F 1692740899 CGJIWZWVCJJOSC-HNNXBMFYSA-N 490.536 2.773 30 10 JFEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)N1CCCC1 1694373348 GQSUZTSCKGMBDO-JTHBVZDNSA-N 499.685 2.799 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C1 1695412449 DEFZBFFKNAVPFA-NLFFAJNJSA-N 468.602 2.878 30 10 JFEE CCN(CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1695667971 GJHYYZZVXNIHTB-YLJYHZDGSA-N 485.036 2.811 30 10 JFEE CCNC(=O)C(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1695905712 FSNPNFXNSYEVIH-RBUKOAKNSA-N 454.575 2.926 30 10 JFEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1697123630 BXLZJNYSBOIYJF-QGZVFWFLSA-N 453.572 2.855 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1705478391 ARGKDCDAGSNHKB-KBMIEXCESA-N 453.587 2.918 30 10 JFEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705509293 GPIYLTVYVWYLJT-UHFFFAOYSA-N 453.554 2.860 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1705516661 GTGXKXDJDYCJPJ-OALUTQOASA-N 475.590 2.779 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705527475 ZACXNNRBKLSEAB-UHFFFAOYSA-N 473.599 2.819 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)CN1CCOCC1 1705546792 MBUFKXMKPPIPMD-OAHLLOKOSA-N 450.356 2.884 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705560024 HJWATANYFUKRJI-JKSUJKDBSA-N 489.589 2.578 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCO[C@H]1C(C)C 1705574515 GALONUBANNSWLR-PMACEKPBSA-N 468.627 2.681 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705602528 YRQRIIBPTUONRO-NHCUHLMSSA-N 453.562 2.958 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)n1 1705630707 DBUDDOXTRRXZRT-OAQYLSRUSA-N 462.476 2.519 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(Cl)cccc2OC)CC1 1705634875 KZDXNVVBJCYHRJ-DEOSSOPVSA-N 474.005 2.784 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1705647945 MLJCTHYCBQUCQW-FPOVZHCZSA-N 481.597 2.614 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccccc2C)CC1 1705650023 LHXNRPHTNGMHLP-UHFFFAOYSA-N 458.566 2.617 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705660846 ITBDSJNTKGWFOQ-UHFFFAOYSA-N 496.040 2.709 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1705661258 XEOSIDUSSIJUMQ-UHFFFAOYSA-N 485.564 2.639 30 10 JFEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1705834894 VHPHENSACBFXKV-HNNXBMFYSA-N 454.980 2.633 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1705868300 IGESSFUHZTUFNM-NSHGMRRFSA-N 495.671 2.538 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1705894687 HNILTROIFVWEII-FQEVSTJZSA-N 475.553 2.968 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CC1 1706507109 GETWNJQLTBKYSJ-OAQYLSRUSA-N 451.619 2.563 30 10 JFEE Cc1ccc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CC(=O)NCC(F)(F)F)o1 1707380698 HVMUUIGMWOJICT-UHFFFAOYSA-N 487.486 2.719 30 10 JFEE CCN(CCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1710142276 FQSACOAGHJUWJI-QFIPXVFZSA-N 462.595 2.810 30 10 JFEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 1710973977 HTJKIWUVIIBUPI-UHFFFAOYSA-N 479.629 2.622 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(SC)CCN(C)CC1 1722290832 BMHLHVALPYTTCX-KRWDZBQOSA-N 475.688 2.524 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCSCCCO 1722296249 OAPRDGBEBWOYPD-QGZVFWFLSA-N 451.637 2.966 30 10 JFEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722340073 MIMMHMKSEYHVCH-FQEVSTJZSA-N 468.577 2.543 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1cccc(N2CCOCC2)n1 1722424311 JFYDGHDXOPGGKF-UHFFFAOYSA-N 466.973 2.964 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722453914 GMYGGZBHDVGFEX-UHFFFAOYSA-N 469.571 2.558 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722465156 FANKRSBKJURYGL-UHFFFAOYSA-N 490.637 2.772 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722496685 ZAXXHROIHHLMKI-ZVDOUQERSA-N 460.600 2.948 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722521786 WUNHGOYOSPGVFI-UHFFFAOYSA-N 453.547 2.942 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722534271 LJCAYSMSKCERPC-GOSISDBHSA-N 462.620 2.692 30 10 JFEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722600831 QIVMHIZEMUYGEN-KRWDZBQOSA-N 451.568 2.995 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(CC)C(=O)C1 1722619654 CPPGQXJGDLRPSQ-UHFFFAOYSA-N 454.575 2.799 30 10 JFEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722627916 STNKPSVOTBJHEP-YADARESESA-N 453.543 2.706 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1)C(C)C 1722663053 QOUSGELRQIUIMS-HSZRJFAPSA-N 452.603 2.953 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)c1nccs1 1722694823 JSIMPFFNWVIDBF-HNNXBMFYSA-N 454.556 2.715 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1722726935 HARNFOLSOWCOJC-KRWDZBQOSA-N 476.990 2.591 30 10 JFEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1722971015 AURQDTOYFAWPQE-XMMPIXPASA-N 452.559 2.650 30 10 JFEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F 1723975531 FHUPWWUTMAVXJX-CYBMUJFWSA-N 454.428 2.976 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1723982962 HTGYBNKXLAAEIJ-JXFKEZNVSA-N 451.506 2.795 30 10 JFEE CSC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)CCN(C)CC1 1731060070 DCWJCBBMEJYJTL-QGZVFWFLSA-N 476.672 2.772 30 10 JFEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 1731067255 BPERBLCMXPDXRB-SFHVURJKSA-N 461.613 2.638 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740589968 HDZHQVNAHULNOL-DVECYGJZSA-N 491.658 2.821 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1740618673 JRFNLTDNRYOOJR-QGZVFWFLSA-N 450.511 2.973 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740628533 RFCTXNREGIQOLI-XUVXKRRUSA-N 490.601 2.828 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1740628772 TZJFEQAAWVEOEH-KJWPAHLWSA-N 497.621 2.703 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCOCC2)cc1 1740681333 HLDDFKRFJWNVKL-UHFFFAOYSA-N 466.973 2.964 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1740750130 MBPBXVSQGKMEKQ-VWNXMTODSA-N 495.672 2.656 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740953047 UPAKMGWSBUXCOH-IRXDYDNUSA-N 474.537 2.574 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740963443 KXUMYZAKAKFAMB-HXUWFJFHSA-N 453.587 2.908 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1743892652 GWRJYQHYQYTEKC-IBGZPJMESA-N 473.585 2.628 30 10 JFEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1748170156 HRZNEOXUEZYFOL-HXUWFJFHSA-N 479.585 2.646 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C)n(C)c1=O 1748791106 OWHGHJKNKJJXFH-UHFFFAOYSA-N 454.575 2.517 30 10 JFEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNc2nccc(C(F)(F)F)n2)c1 1748933496 HEIKYLJIAAYGJG-MRXNPFEDSA-N 474.447 2.603 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1748944157 NWPPWNWESACVND-XTQSDGFTSA-N 459.485 2.579 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](OC)C(C)(C)C)CC1 1749014097 DQPGGTZGXUDMNC-FGZHOGPDSA-N 481.597 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2cc(C)ccc2OC)CC1 1749019436 UCYWTLBBXYXNKM-JOCHJYFZSA-N 451.571 2.655 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749652404 NCRLTEWGCVKHIZ-MNFWLRKXSA-N 473.549 2.632 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749736862 QWHKIQZBYPDMSX-OAQYLSRUSA-N 469.615 2.520 30 10 JFEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCC2)CC1=O 1749865019 HCVMLHUTZFZJTO-HXUWFJFHSA-N 452.559 2.604 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760115884 KULRXHBSBFGYCR-SQNIBIBYSA-N 471.531 2.951 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760120011 FXVBDJCZUVEAEP-OAQYLSRUSA-N 473.625 2.921 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1760138575 BMVJMXUBKDKUEQ-NHCUHLMSSA-N 490.649 2.547 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1760186127 AOJAUXFZBZFYCY-SJORKVTESA-N 477.656 2.601 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1760188687 LPVXATXFTWEDPF-SFHVURJKSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1760191722 MLOQCWMGMUPGSA-IRXDYDNUSA-N 499.420 2.970 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1(CN2CCOCC2)CCCCC1 1760218830 NZQZUZYBLFYQGO-QHCPKHFHSA-N 453.631 2.918 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1760263733 NIGSATJWVMMOOB-OAQYLSRUSA-N 453.587 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCCn2cc(Br)cn2)CC1 1760270293 OBABNOFQGBVXNF-UHFFFAOYSA-N 490.450 2.882 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C2CC2)N(C)C)CC1 1760271168 ODMYVLGEDLSKEE-XMMPIXPASA-N 478.641 2.780 30 10 JFEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1760277741 RYIVJUWINJAQJG-WOJBJXKFSA-N 466.615 2.927 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCCN(C)C)c2)CC1 1760401666 OJTSNQUHGMUYBD-OAQYLSRUSA-N 473.643 2.571 30 10 JFEE 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30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1595497303 XCEGONWYYRANDO-ZWKOTPCHSA-N 454.531 2.799 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1595523626 ZOHQJSZRHHCSHM-ZWKOTPCHSA-N 456.566 2.908 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1595537255 OOEMFQIVHLALMA-ZWKOTPCHSA-N 463.586 2.850 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(CC)C(=O)C1 1595577229 LXDMLKHSGDWFJZ-UHFFFAOYSA-N 468.602 2.515 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1595577546 WRCKYQKTIATVKY-HXUWFJFHSA-N 499.685 2.664 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1595613257 BBRDVAHLMRFWHJ-OAQYLSRUSA-N 454.575 2.984 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595700168 LHNJNEUJBKGDQR-FOIQADDNSA-N 487.409 2.583 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](COC)C1 1595766709 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN(CC)C(C)C)CC1 1286491241 JZJOMBOLCMPGJS-UHFFFAOYSA-N 450.631 2.873 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccs1 1286546085 GBWIGDCEPFQUIV-RYRKJORJSA-N 453.634 2.610 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1 1286555787 ZFIALMKATUYPPS-APWZRJJASA-N 479.423 2.785 30 10 JFEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286600449 NHIDTXFKLLDHMO-PZJWPPBQSA-N 461.632 2.883 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286604716 OLROSGGVSULBSA-CQSZACIVSA-N 474.425 2.508 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286778643 CKQZZIPFWCJQRZ-YMPZKCBVSA-N 466.630 2.669 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(cccc2OC)C1 1286779904 OGFINDOHADAAJZ-UHFFFAOYSA-N 485.386 2.920 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286791927 HOCSMWKAHVPASP-LEWJYISDSA-N 480.613 2.839 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(OC)CCOC2)C1 1286814167 MAYZXVJFARJHOH-YDIMBITNSA-N 477.606 2.937 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](OC)C1 1286815615 BRFXMGAITXQNRR-HNNXBMFYSA-N 485.404 2.542 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286821276 GDBDZRCJNKOXES-WOJBJXKFSA-N 466.554 2.896 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1Cc2ccccc2[C@H]1C 1286823143 KSLRIBZZUMVREC-MRXNPFEDSA-N 471.608 2.952 30 10 JFEE Cc1ccc(C(=O)NCCn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@H](C)C#N)cc1F 1289455675 CFMZVQJVOWJZPP-QGZVFWFLSA-N 474.544 2.990 30 10 JFEE Cc1cccc(-c2nnc3n2C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC3)c1 1296166135 FXBSGBIIEMAOJS-QRVBRYPASA-N 450.543 2.691 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)C1 1296410791 BRNRCAOABSIYAJ-LEWJYISDSA-N 451.575 2.872 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCN(CC)S(C)(=O)=O 1300292479 YTACUSZZOSDYBH-OAHLLOKOSA-N 498.447 2.846 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1300380663 FETVNJYXXODLOE-MOPGFXCFSA-N 451.575 2.860 30 10 JFEE C#CCCCn1c(N2CCn3cc(C(F)(F)F)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1300423959 BNXCAZTWDOXSTG-HXUWFJFHSA-N 452.481 2.968 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(F)(F)Br 1300509067 DUWJIZPJCUOALF-UHFFFAOYSA-N 470.705 2.922 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300510908 AWTQDWCHJCEVLU-UHFFFAOYSA-N 455.946 2.965 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc2c(s1)C[C@H](C)CC2 1300649974 QRORAYKPWPYPGF-MRXNPFEDSA-N 465.583 2.641 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2cccc(Cl)c2)n1 1300681485 RIKRHSMUXXSMKL-UHFFFAOYSA-N 464.961 2.863 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1300681913 CIMNSMMWQHADBG-GOSISDBHSA-N 477.544 2.714 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)N(CC)CC)CC1 1300699902 JIBHWRSUZATBKZ-VXKWHMMOSA-N 487.693 2.878 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300745108 FERMMJBUTHVEQB-MRXNPFEDSA-N 466.991 2.731 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300746900 VSEXSFSBNQYMKZ-HNNXBMFYSA-N 455.005 2.597 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1300755477 TXTVPDNHQAMCHV-IRLDBZIGSA-N 495.697 2.832 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1300814003 YHQZPAMKKIZVLN-FGZHOGPDSA-N 461.488 2.843 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 1300829459 DGDQIHIIMFROOO-UHFFFAOYSA-N 480.363 2.581 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1301129061 GFFIPRUVUDKXME-IBGZPJMESA-N 450.509 2.929 30 10 JFEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)C[C@@H](C)O1 1301404719 FWPHNQZNKPAFRE-NFBKMPQASA-N 468.602 2.845 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301484169 CNQMFHWIKCCMLR-XLIONFOSSA-N 479.585 2.858 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCN2CC)C1 1301557280 OBEUFHPHAHEYBE-NJDAHSKKSA-N 490.649 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301568798 YAVSOGZRCPYAOL-FPOVZHCZSA-N 487.626 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301585671 DHJLNSIXUKJOPO-UHFFFAOYSA-N 498.653 2.646 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccs1 1301773568 CHFFJYKFAGVKSE-CYFREDJKSA-N 480.594 2.723 30 10 JFEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COCC[C@H]2O)c1 1302731298 LLEUHEWTZNQXLL-NHCUHLMSSA-N 480.970 2.610 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1c(C)nc2ccccc21 1305754915 HTXBGMGIGIFPBI-QHCPKHFHSA-N 452.538 2.997 30 10 JFEE CCOC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(F)cc1C 1309395644 ACFAQTCMIIJZHB-LJQANCHMSA-N 459.499 2.656 30 10 JFEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1315533671 FZENWKRSHLGSBN-NLFFAJNJSA-N 468.602 2.843 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(F)(F)F)cc1 1316100843 BCXVEWPYRGMBNW-MRXNPFEDSA-N 452.437 2.543 30 10 JFEE C=CCN1C(=O)c2ccc(-c3nnc(-c4cccc(S(=O)(=O)N5CCCC5)c4)o3)cc2C1=O 1333147569 WBHFWXXJDYASTK-UHFFFAOYSA-N 464.503 2.970 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnnn1CC1CC1 1358880472 MXXIYKXZGRGVAX-GFCCVEGCSA-N 459.327 2.749 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1358887710 BASAZTRPMNPRRC-IPMKNSEASA-N 479.647 2.675 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2ccc(NC(C)=O)nc2)c1 1358903467 XXQJKJVSPJGTRA-UHFFFAOYSA-N 459.554 2.935 30 10 JFEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1358918055 JUUATKJICYPSHA-FYYLOGMGSA-N 470.662 2.745 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1358940644 GHPIJCVWVSSBNB-FQEVSTJZSA-N 483.414 2.730 30 10 JFEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](CC(C)C)NC(=O)OCC 1358946854 LJSFFSRZEQAVTK-MRXNPFEDSA-N 451.531 2.824 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1358970603 SRAJENQYLMBPMD-HXUWFJFHSA-N 484.910 2.846 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1ccc(F)cc1 1358997211 JRQLFGSLILLTBH-DEOSSOPVSA-N 465.554 2.779 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCC[C@H](C)C1 1359021188 FVWBNWICZGURBM-PMACEKPBSA-N 453.587 2.923 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359039571 NUDJTCQUVGOJON-UNMCSNQZSA-N 455.628 2.686 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2Br)CC1 1359044786 OPUZWORSUWIWHE-SFHVURJKSA-N 472.387 2.559 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnccc2OC)CC1 1359046680 BGVCNLXKKQIISC-UHFFFAOYSA-N 474.565 2.583 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359059527 QECMLADJTZUUPE-UHFFFAOYSA-N 482.635 2.668 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1359070751 UEGNZMYSCBCWMM-QVKFZJNVSA-N 493.427 2.992 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC(C)(C)C1 1359092425 ARYXDXXUHKUGPA-QUCCMNQESA-N 460.600 2.945 30 10 JFEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359131963 KAMHSFVIDDRODP-UHFFFAOYSA-N 457.579 2.586 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359144745 SINVJOJRMQVWPA-UHFFFAOYSA-N 471.949 2.840 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1359198484 RRHMPYOTXKUHIJ-FYQPLNBISA-N 450.653 2.555 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCC[C@H]1C 1359256679 MZSIUTMDFKEKQE-JLGINSKQSA-N 469.611 2.796 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359295000 LQCAFIASMIAEGN-SFHVURJKSA-N 470.643 2.930 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2ccco2)C1 1359326460 ARQOMTGWAAXGRT-NRFANRHFSA-N 499.593 2.919 30 10 JFEE 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486.411 2.968 30 10 JFEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1301185614 IFFIQPCBUPOEAS-OAQYLSRUSA-N 466.586 2.833 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1301354452 AJTXESAYICCTGU-WOJBJXKFSA-N 461.607 2.996 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1301366664 GVGXBMCURPIAFZ-DHIUTWEWSA-N 481.645 2.875 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1301478472 LNDCBKLWDZRMKF-LJQANCHMSA-N 492.584 2.600 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301514178 FZOYNTXGWWLHKF-FUHWJXTLSA-N 467.492 2.932 30 10 JFEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccnc1 1302512115 BNPDUODSEWUNLD-JOCHJYFZSA-N 479.610 2.733 30 10 JFEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N(C)C(=O)OC(C)(C)C 1303721664 GPWGWBOQPVCEBQ-FUHWJXTLSA-N 480.635 2.566 30 10 JFEE Cc1cc(C)n(-c2ccc(Cn3c(-c4ccc(C#N)cc4)nnc3N(C)[C@H](C)CC(N)=O)cn2)n1 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C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1358966158 IZLQUTLNARRUCM-NBGIEHNGSA-N 498.605 2.601 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1358976799 QXDXYHNSIZKAGV-HXUWFJFHSA-N 457.582 2.622 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1359016889 OQYZZYUVJKSLBE-WJTDDFOZSA-N 485.523 2.954 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CC(OCC)C1 1359019692 CQUOYTIPPQASQP-UHFFFAOYSA-N 481.366 2.863 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCn2cc(C)nc21 1359020227 VVBZHEGKGLIBMZ-FQEVSTJZSA-N 482.610 2.517 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCS(=O)(=O)C1 1359021937 HOIFDZFXEADSFD-INIZCTEOSA-N 481.416 2.618 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359092622 CZAQPCUOMHTEGO-ZVDOUQERSA-N 478.615 2.858 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCc1ccccc1 1359098646 DGUGEEFJQGWRNN-VSKRKVRLSA-N 474.627 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AYSZFPJHXZYJTN-UHFFFAOYSA-N 456.510 2.965 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(N(C)C)CCOCC2)C1 1508115956 PXUDYJJMEZZDQQ-KRWDZBQOSA-N 479.423 2.928 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1CC(F)(F)C1 1508135052 DMCWMTJUFRGYIW-UHFFFAOYSA-N 468.526 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508145227 KWESWBGELPLYQP-KRWDZBQOSA-N 490.580 2.550 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)CC2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508147625 AUDLCZLJBIPDQI-KDURUIRLSA-N 497.662 2.512 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCS1(=O)=O 1508409500 BWCZDWKEEMKYCH-AEFFLSMTSA-N 453.572 2.898 30 10 JFEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1515060483 GNENIVPTGSOCCN-UHFFFAOYSA-N 478.626 2.820 30 10 JFEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1OC 1519500549 BFELRMKVPPSORR-BGYRXZFFSA-N 470.574 2.924 30 10 JFEE 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30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cc(C)cn1 1748845805 AQPDDXXMDLAXPI-HXUWFJFHSA-N 451.575 2.671 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1748968594 HHKRRJXRXFMBQW-UXHICEINSA-N 483.617 2.895 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cc(C)ccc2OC)CC1 1748994264 WMMODPVVSFVILK-UHFFFAOYSA-N 450.612 2.949 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2([S@](C)=O)CCC2)CC1 1748999417 UOHQRJVYDZUBHT-YTTGMZPUSA-N 455.628 2.530 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1748999741 DNASAVPSQIGQHE-RUZDIDTESA-N 467.545 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1749008887 IKWUQKZWVSBQCJ-OAQYLSRUSA-N 481.988 2.686 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1749222957 OERVNEMVBRJFNH-UHFFFAOYSA-N 453.591 2.947 30 10 JFEE C=C(Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1749247224 NACMEDZRGQBEJV-XMMPIXPASA-N 455.559 2.921 30 10 JFEE 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451.328 2.976 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1507740208 QCKKTDIXFQCURM-VXKWHMMOSA-N 477.657 2.598 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507791556 NEROKVGXYYHWPK-ZHALLVOQSA-N 495.466 2.665 30 10 JFEE C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507829695 JMWFMHIEXOHTOH-KURKYZTESA-N 465.620 2.638 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507832132 OWRKJUCQCQHESQ-LBPRGKRZSA-N 491.458 2.508 30 10 JFEE C=Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cc1 1507893162 CBDOAEGOXXIGEI-JOCHJYFZSA-N 484.626 2.627 30 10 JFEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507956256 HHXQMJFQRNALJV-HSZRJFAPSA-N 456.522 2.777 30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1507992999 MNKPAJCALJRHOE-ROUUACIJSA-N 479.647 2.982 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508048011 OAIDOTGTGBCAQH-KRWDZBQOSA-N 461.588 2.980 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1508112007 LPDBGHMTZLRIOM-FQEVSTJZSA-N 453.568 2.714 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCOC1 1508133172 CZPLGRXWIRMFSH-ZDUSSCGKSA-N 475.434 2.843 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 1508144357 PRIQTZZAXHGILH-UHFFFAOYSA-N 489.539 2.683 30 10 JFEE CC1CCN(CCCn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1508416230 FHXMMAHZPPWZHN-LJQANCHMSA-N 462.602 2.910 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1509211772 CWTRLXPHGBDGIW-NRFANRHFSA-N 491.562 2.938 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOCC1(C)C 1510265070 CIDNNGZXRPBANX-XLIONFOSSA-N 474.993 2.911 30 10 JFEE C=C(C)COCCNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 1525655564 QKNUUTPSNRRPRT-LJQANCHMSA-N 458.584 2.822 30 10 JFEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1=O 1527234291 GBHXURGIDYOGPA-AWEZNQCLSA-N 459.959 2.687 30 10 JFEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC)C(=O)OC 1535099012 ZYHCLKMZMKPXCK-IBGZPJMESA-N 458.536 2.684 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539229807 IMGJFKSTUTUIEQ-IRLDBZIGSA-N 472.611 2.526 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1539230813 KUKQPSSKLLXHCB-SFHVURJKSA-N 487.607 2.550 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539279076 SKBAJQSDNRBHHN-OAQYLSRUSA-N 475.515 2.755 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(Br)c1 1539318790 YDTTXKBXAKMBIK-SFHVURJKSA-N 470.371 2.706 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(CC(F)(F)F)CC1 1539420608 JIXANJNDVNHJAB-UHFFFAOYSA-N 467.540 2.500 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539434627 QOEYHDWWQSLMDR-OAHLLOKOSA-N 492.422 2.704 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(C)C)cc2)CC1 1539482354 SVDATLXAFNVBRX-JOCHJYFZSA-N 465.598 2.831 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1539483360 YIRHDMPYRGZTSY-LJQANCHMSA-N 477.943 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1539484387 NHXWQCXQNZSGEY-AREMUKBSSA-N 493.011 2.791 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1539521187 YLYXZLPBDDRVHE-UHFFFAOYSA-N 459.579 2.618 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1539626327 CWYLJPCQNIHVRR-NUABRCLCSA-N 474.606 2.560 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539641188 DFRQTPQZSUNZBF-CBQOVEMMSA-N 460.600 2.504 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539684756 DIRWXDZWRFQXAE-GHTZIAJQSA-N 456.566 2.876 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539735648 MTSRYWWDZBFUET-UHFFFAOYSA-N 470.574 2.850 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1540140925 WVFUOQPXYLVBIA-QGZVFWFLSA-N 471.608 2.881 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)n[nH]2)c1C 1540817137 HUFAMVSIBKKTMK-UHFFFAOYSA-N 451.550 2.767 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)(COC)CC1 1540869926 ASOULLFXDISFQZ-UHFFFAOYSA-N 490.649 2.948 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1540870548 PYCQRGDVKZELIO-GOSISDBHSA-N 455.559 2.531 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1540872977 IHYZENMZIWPSBD-UHFFFAOYSA-N 478.622 2.974 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCN(C(C)=O)CC2)C1 1540883768 DZGPBCMJWMSOJK-ISKFKSNPSA-N 496.656 2.980 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCS2(=O)=O)C1 1540895163 MJYNONVBJPVDIF-NHCUHLMSSA-N 460.600 2.648 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540904234 LLCAPDNIJQBOQY-UHFFFAOYSA-N 465.664 2.696 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1C(C)(C)C 1540908553 JBTDKXQYYHLZMZ-UHFFFAOYSA-N 458.510 2.548 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1540925034 VNMIJEXNUYBMBO-PWRODBHTSA-N 476.691 2.866 30 10 JFEE CC[C@H](C)[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)OC 1545279301 IBEPUTQGWSWZBE-IPELMVKDSA-N 460.966 2.651 30 10 JFEE COCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367848 RCXUOUIVUHHMGI-FQEVSTJZSA-N 478.446 2.810 30 10 JFEE CCn1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)cn1 1548393485 YOBIBIFBBCCVAC-VQTJNVASSA-N 488.514 2.884 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCCC)c1 1587693724 WLHBYHQTRGAUIV-XZOQPEGZSA-N 491.640 2.940 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccc(OC)c1)N(C)C 1588012111 WJBQPVNAKNZWQQ-LJQANCHMSA-N 452.584 2.651 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1588040308 LQJNAQYIGIZMBG-QGZVFWFLSA-N 489.960 2.816 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588045011 FKTIKMZDEAAPSC-LEWJYISDSA-N 482.610 2.643 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(COC)CCOCC1 1588189328 ICDKOUCUNSCEJL-UHFFFAOYSA-N 474.403 2.952 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F 1588193737 KROBKAPUWPVOJH-UHFFFAOYSA-N 456.316 2.613 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OCC(F)(F)F)CC1 1588811450 JLNUYDYQFYZGNE-GOSISDBHSA-N 464.492 2.659 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCOc2ccccc2)CC1 1588955353 VXAWOXGAOGLJCH-UHFFFAOYSA-N 458.566 2.699 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1589089535 SRPLPYAALVTGLK-UGKGYDQZSA-N 457.619 2.921 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1589449424 DTJNCNYYDKBLSC-AWEZNQCLSA-N 450.312 2.716 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC[C@H](C(=O)NC)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1595640434 XKXJJEGHGDMFOT-LVXARBLLSA-N 483.613 2.894 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1595659069 RIAJEFKQCGHVQA-KNQAVFIVSA-N 489.642 2.851 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595682201 YOIUQGANTPVLEF-CEXWTWQISA-N 493.605 2.620 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595766441 QHUAGUFKJYVVAZ-JZXOWHBKSA-N 464.657 2.939 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1595797077 DKZWSAXOPKTHRK-IEBWSBKVSA-N 489.598 2.537 30 10 JFEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)cs1 1612424285 GWLUBOZEAFHEMO-UHFFFAOYSA-N 467.599 2.505 30 10 JFEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCC(C)CC1 1619051964 AJEYVXCQCXCJKS-JMNVSDKBSA-N 466.586 2.753 30 10 JFEE CSC1(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1620227148 FIFXHURAWYADMK-FQEVSTJZSA-N 456.616 2.722 30 10 JFEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 1629140667 GEELOJQDINKPGB-SFHVURJKSA-N 459.593 2.744 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 1632188667 BOGJSBRBOGCSBV-MBSDFSHPSA-N 463.600 2.918 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2c1=O 1648577989 BYYHFYRPIHNGIM-AWEZNQCLSA-N 452.496 2.501 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCO[C@H]1C(=C)C 1649539587 OVRSSNVJHPNLJT-WDSOQIARSA-N 456.616 2.986 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@](CO)(C(C)C)C3)nnc12 1654605733 KHLRECIMVNVONA-QHCPKHFHSA-N 455.584 2.579 30 10 JFEE CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1 1656683928 FTUJXQDVPNMYTO-IBGZPJMESA-N 452.577 2.769 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(-n2cncn2)nc1 1689824820 YAYOJIYUDFSTIX-SFHVURJKSA-N 455.526 2.629 30 10 JFEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1689937021 LYWYFPPLHPPZTP-UHFFFAOYSA-N 473.581 2.708 30 10 JFEE C#CCCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689940971 FVPODPFRSZEFGV-OHUGHZGNSA-N 472.634 2.763 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCC=C)cc1 1689960024 WBEFPQOGVYWKJX-UHFFFAOYSA-N 450.568 2.921 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCS(C)(=O)=O)C1CC1 1690222168 LXKBDSRSFLYMDK-UHFFFAOYSA-N 470.349 2.775 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCn1cccn1 1690251628 XCJSDNIXNYXDQF-YLJYHZDGSA-N 455.588 2.584 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690432499 FOKQGMABBOSOEL-DGGJZMOXSA-N 479.647 2.886 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690508306 GESUDGDRKXEEAS-SLFFLAALSA-N 479.622 2.835 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(C)(C)CN1CCOCC1 1690629970 NMBDGBBLSHQKMI-UHFFFAOYSA-N 475.663 2.527 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)C2)cc1 1690679558 YZIJIUXRLRNYIE-UHFFFAOYSA-N 457.332 2.585 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(Cl)=C(Cl)C1 1690714000 BFWQHQXADNADKQ-UHFFFAOYSA-N 464.419 2.697 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCCO1 1690717661 MTDQZQKUMVRZDE-OAHLLOKOSA-N 472.409 2.642 30 10 JFEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)C(=O)OC(C)(C)C 1695747738 BKGVZCQJRPQXNY-UHFFFAOYSA-N 467.574 2.775 30 10 JFEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1698334757 FPBRVIAGLLZRLA-IAGOWNOFSA-N 459.583 2.945 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2cnn(CC)c2)c1 1705506519 ADTCYIQDVHRLPF-UHFFFAOYSA-N 454.538 2.585 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2CCN(C(C)=O)CC2)c1 1705507587 HOHBOMGEYXHRJU-UHFFFAOYSA-N 485.592 2.579 30 10 JFEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705531292 FFCSBYOJRIFXLI-UHFFFAOYSA-N 484.626 2.717 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705538989 GQIYAWZNNISDDG-SANMLTNESA-N 483.588 2.763 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1705565518 IUMYSSPIJMYJAT-MSOLQXFVSA-N 462.641 2.838 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(COC(C)(C)C)on1 1705589876 YRLOCUUXPAFHIO-UHFFFAOYSA-N 461.526 2.740 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC1(S(C)(=O)=O)CCCC1 1705601282 DVMMOYSNSQRTAY-UHFFFAOYSA-N 454.596 2.986 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705706630 XVLHFXMBYLYIBN-HBFSDRIKSA-N 478.519 2.750 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccccc2OC)CC1 1705781378 XSDQZQYUIAZALL-DLBZAZTESA-N 463.604 2.767 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1705786122 GTADGWVLZKNPKD-KRWDZBQOSA-N 464.611 2.956 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1705921083 LFMSNZRPZRWBDD-FXAWDEMLSA-N 455.559 2.658 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705932287 APHKVWBHGJTOKR-LJQANCHMSA-N 496.637 2.787 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1705935682 AFIAAOUEVSPCDX-HXUWFJFHSA-N 460.600 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2)CC1 1705936934 BRYBFUKBAMKXQQ-UHFFFAOYSA-N 466.611 2.581 30 10 JFEE CC(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1706636104 GAABOVLBPGFKJJ-UHFFFAOYSA-N 472.597 2.767 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1709587631 BUYUAEVVFZKIRP-SIBVEZHUSA-N 480.613 2.832 30 10 JFEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCSC1 1710973898 FNPMZRYEXFLPLX-IFMALSPDSA-N 497.669 2.613 30 10 JFEE CN(CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)CC(F)(F)F 1711198487 COCWIDHPWPBGRH-LJQANCHMSA-N 477.535 2.864 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)Cc1ccccc1 1722298180 WYKHPRJRUXRVBU-IBGZPJMESA-N 462.579 2.590 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722339718 ZFLQOMVZGMTUPY-JOCHJYFZSA-N 478.641 2.618 30 10 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2.501 30 10 JFEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722522639 CHUCTIBJQWUQGZ-KNQAVFIVSA-N 452.603 2.909 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1722574456 LWSHUWJRQWICOO-CQSZACIVSA-N 485.557 2.949 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)CC1 1722689656 VUWNBXSBLYAAJU-GOSISDBHSA-N 489.020 2.675 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722708605 ZMEXAFKXUFHOCD-DENIHFKCSA-N 489.642 2.851 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)C(C)(C)C)C1 1722718612 LZXKAHADCJVLNT-YLJYHZDGSA-N 476.599 2.785 30 10 JFEE CCOC1CC(CCn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1728911589 CXFYIIJVPPCTSZ-UHFFFAOYSA-N 479.629 2.815 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(SC)CC2)c1 1740561326 BKVLDHPNWHWOAO-DEOSSOPVSA-N 469.611 2.882 30 10 JFEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740583470 PPIHYNZPIYHXHD-UHFFFAOYSA-N 453.344 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30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Br)ccc2C1 1690288070 GGQRLPIRWSMDHU-SFHVURJKSA-N 496.431 2.512 30 10 JFEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690532487 OUSVNNODCIIWMK-AABGKKOBSA-N 471.606 2.786 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690676770 CSTQPIDAOREBCA-MRXNPFEDSA-N 498.575 2.954 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCn2cnnn2)C1 1690691851 MNYZMMMPVUUJNB-INIZCTEOSA-N 489.378 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1690727170 WAJFOOIHZWWYKS-OALUTQOASA-N 479.647 2.667 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690747303 YASGVTUIAUSXLO-HKUYNNGSSA-N 494.662 2.563 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccnc(-n2cccn2)c1 1694342903 FBAXNYPMFFRKAJ-DEOSSOPVSA-N 461.574 2.956 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1CCCCC1 1705488576 CZJALRWPKCKWPE-GOSISDBHSA-N 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30 10 JFEE N#Cc1cn(CCC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c(=O)nc1O 1570080131 GARTUHHHYYNAFK-FQEVSTJZSA-N 452.898 2.938 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)COC)ccc1Cl 1586875936 KJVWDLPVZFPCEG-NRFANRHFSA-N 452.960 2.849 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCN1CCOCC1 1587631607 DSIGBGXDYLKNHF-SFTDATJTSA-N 474.650 2.963 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2oc(CCC)nc2C)c1 1587684068 RZGNLJQAPLKTDU-UHFFFAOYSA-N 489.580 2.868 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)NC2CCCCC2)c1 1587697642 VUVILZNFLBEABW-OAQYLSRUSA-N 464.570 2.635 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1588258732 IDTKGDMIZXTYKZ-RBZQAINGSA-N 468.690 2.933 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1588595461 VBZADKJMPYJWBQ-NLFFAJNJSA-N 470.570 2.777 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1588627989 BVYOJGPNCMSRGI-KRWDZBQOSA-N 486.523 2.746 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1588733641 XDNFBBBKCBPHTO-RTWAWAEBSA-N 450.587 2.575 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1588968375 KKINJXCGPBORBD-LJQANCHMSA-N 468.627 2.604 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(CCC)C(=O)C1 1588975189 FAUSZXRTGKCUOH-UHFFFAOYSA-N 489.045 2.677 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CN2CCOCC2)CC1 1588993017 CCHOEHGCCXOXIO-UHFFFAOYSA-N 493.475 2.951 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1589216249 MCNXXLHQCICZJU-AVRWGWEMSA-N 498.632 2.973 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589547262 TVVOWJYNWWUTCO-WIYYLYMNSA-N 467.618 2.668 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1589568355 JJPSXWMCPWUEIQ-URXFXBBRSA-N 486.661 2.857 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCS(=O)(=O)C1 1589651911 JTADBHKWWIUYEH-JOCHJYFZSA-N 457.556 2.552 30 10 JFEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1594812956 MUYHYHRUFHYCMX-WOJBJXKFSA-N 454.575 2.933 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1595219475 VBXIJUGLTUKOOW-NHCUHLMSSA-N 490.649 2.733 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1595266940 OCTIWODZMZLBFU-UHFFFAOYSA-N 480.613 2.827 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1595275710 MKFRGCHEORZOTL-UHFFFAOYSA-N 459.554 2.735 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595577212 LPFPGOPUTPQNSV-RUZDIDTESA-N 469.586 2.550 30 10 JFEE C=CCNC(=O)Cn1c(N2CCN(CCOc3ccccc3Cl)CC2)nnc1C(C)(C)C 1595602474 LASOGVHTXWQINV-UHFFFAOYSA-N 461.010 2.732 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1595659405 XUPUGADQQQCAOM-JOCHJYFZSA-N 487.626 2.627 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C1 1595688679 MLTUBGHUUODVRN-OAQYLSRUSA-N 482.610 2.728 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSC[C@@H]1C 1595766863 ZIUYQMXMAAAHER-HNNXBMFYSA-N 452.602 2.505 30 10 JFEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1610972606 GGYXOYKQTODEBX-UHFFFAOYSA-N 480.491 2.801 30 10 JFEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(CC)CCS(C)(=O)=O)cs1 1613869566 CZPHZRXUGWHYTJ-UHFFFAOYSA-N 458.613 2.949 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2nccs2)CC1 1615837608 GIAXYCCMUPTHFL-LJQANCHMSA-N 464.643 2.978 30 10 JFEE N#CCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1620357120 BEQUUWJWWXLZCF-UHFFFAOYSA-N 452.950 2.805 30 10 JFEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1630571652 GPLAAEYZFYZFCT-JOCHJYFZSA-N 456.568 2.669 30 10 JFEE C#C[C@@H](NC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Br)cc1 1630902719 SVOWYJPSMLBLML-UTKZUKDTSA-N 455.312 2.677 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 1634905018 RRNZCLPKARUABX-TXPKVOOTSA-N 451.589 2.915 30 10 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2.811 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690080553 YRVRVSKIQAIBNA-SFTDATJTSA-N 465.577 2.683 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1690091588 YPHSMBKBCRASMI-JBACZVJFSA-N 493.580 2.528 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCc3ccccc32)CC1 1690138315 YJOOTGNXTVRFGM-SIKLNZKXSA-N 465.598 2.698 30 10 JFEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690465919 RDRDPBDYCMCHLY-LJQANCHMSA-N 464.661 2.994 30 10 JFEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690492018 NNUUAGALOLNUDC-OAQYLSRUSA-N 493.605 2.593 30 10 JFEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690636397 YBWBJIZMGQOQBQ-GOSISDBHSA-N 476.375 2.730 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1690720683 PWXDFCKRGHONJP-OAQYLSRUSA-N 455.584 2.670 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1691001157 DGHLVPLFSUOKEZ-MRXNPFEDSA-N 462.558 2.981 30 10 JFEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696898100 CDWVIBPXSGJZQP-TZIWHRDSSA-N 494.644 2.562 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cccnc1N1CCOCC1 1705541705 PJPFUENAVRTUGP-GOSISDBHSA-N 450.518 2.907 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705562399 BGMOLEJYJXTVSV-GBXCKJPGSA-N 474.627 2.768 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCOC[C@@H]1C 1705622238 BUDMCQGIQHAGEX-JKSUJKDBSA-N 450.381 2.805 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1noc2c1CCCC2 1705623644 ZBGKMKTUIDYEHH-UHFFFAOYSA-N 451.527 2.963 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705694674 SOWFYVHAYFFZNZ-NSHGMRRFSA-N 453.591 2.593 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H](C)C1 1705858605 ZOXIQYCYORKFGW-LVCYWYKZSA-N 472.615 2.768 30 10 JFEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1705888946 MZDRTKXQOCKWGC-WOJBJXKFSA-N 452.603 2.766 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705890330 KHXWMZSDOJTAQQ-LJQANCHMSA-N 460.623 2.737 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705905404 UQMVTTPWDJAXAZ-SFHVURJKSA-N 496.591 2.700 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(=Cc3cccc(OC)c3)CC2)nnc1[C@]1(OCC)CCOC1 1705908882 XGOGOCUVBKNKKD-SANMLTNESA-N 481.597 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705932510 VJAFFISFXMEFPK-UHFFFAOYSA-N 463.995 2.576 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705940868 RKWUKYOZVGXLMG-UHFFFAOYSA-N 496.479 2.602 30 10 JFEE C=CCSCCn1c(CC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705946705 OMVZCHSCWFYWNJ-HZPDHXFCSA-N 453.609 2.510 30 10 JFEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1707582936 HHAANZSZHVJCPC-HXUWFJFHSA-N 450.568 2.981 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1709459363 AYWKSTUMJSURDM-HXUWFJFHSA-N 479.629 2.670 30 10 JFEE CN(C)CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1711013854 DAKJDBUVNHSAFW-YTFSRNRJSA-N 482.629 2.914 30 10 JFEE CN(CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)CC(F)(F)F 1711198486 COCWIDHPWPBGRH-IBGZPJMESA-N 477.535 2.864 30 10 JFEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1711215965 HBEPJOSDKHXCHC-UHFFFAOYSA-N 466.347 2.809 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCCCCC2)c1 1722309903 QXYZJTDLBCEWMW-NRFANRHFSA-N 478.597 2.631 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1722318567 QEBDTRPQNFGJOQ-UHFFFAOYSA-N 476.625 2.876 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](n2cncn2)C1 1722326302 QAIBMFBTIFYLFZ-SFHVURJKSA-N 451.531 2.817 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722358752 FVGJWMIOYCDNES-KNKQGSTJSA-N 467.595 2.649 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722361492 NSRMMWSLHZWNKV-ICSRJNTNSA-N 467.595 2.787 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1722366183 QBPBYQKNYOISCJ-KDOFPFPSSA-N 490.680 2.829 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCCC1 1722387301 JEFMEDPOOIFTKQ-UHFFFAOYSA-N 468.671 2.729 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722416430 MUAGBHDLRZNHIB-JOCHJYFZSA-N 461.570 2.765 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2nc(C)c(C)s2)n1 1722429273 JUIQDIYQGWXTCV-LJQANCHMSA-N 455.588 2.734 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1722442589 VSNFFZKZJARXHQ-NRFANRHFSA-N 454.594 2.873 30 10 JFEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722523022 VGIVADYGXNSYFV-CYBMUJFWSA-N 461.448 2.675 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722538829 XQMRPHQKDKYREC-NSXLHWASSA-N 460.550 2.832 30 10 JFEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1722594421 KYVAXPZONIKHAI-HSZRJFAPSA-N 466.630 2.742 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1722672562 TWTAIDYLIDWWSJ-OAQYLSRUSA-N 459.616 2.649 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1722673542 VSAAHBOJKRZMGR-NRFANRHFSA-N 498.628 2.910 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722688858 MZWQCOVCPKCYEX-TXPKVOOTSA-N 463.966 2.614 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1722693636 VOGHIFRSEVFIHA-QUCCMNQESA-N 486.642 2.514 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCN(C)C(C)(C)C2)C1 1722720471 CRQPQAMMCYVFNS-HSZRJFAPSA-N 452.647 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OC(C)C)CC1 1722728835 ZHRXUAWVYBBROP-UHFFFAOYSA-N 486.598 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 1722731262 IMWCNKURZSQUKF-KRWDZBQOSA-N 459.572 2.941 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1722734545 HFWLQYJYFBXQCE-IBGZPJMESA-N 455.544 2.874 30 10 JFEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722735487 MFPPRKAGUXBKEA-KNQAVFIVSA-N 484.670 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ccnn2C)CC1 1722737291 ZSZJELUFUOONEH-TZIWHRDSSA-N 490.674 2.915 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CC1)C(F)(F)F 1723875267 APDWBMMWNWLVEA-MOPGFXCFSA-N 491.562 2.858 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1724014396 BRKIJBFZVAVGEZ-JTSKRJEESA-N 493.033 2.922 30 10 JFEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1728072847 HTUJFAIJSIKYGP-QHCPKHFHSA-N 499.685 2.943 30 10 JFEE CNC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@](C)(C#N)C1 1729723394 GGYJWPHPSCDHEF-HXUWFJFHSA-N 461.364 2.886 30 10 JFEE COc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCCN(C)C(C)C)c1 1730230987 BYTJMQGTNOLXAO-UHFFFAOYSA-N 491.644 2.924 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1740580190 ZQNCEKVYKBJRGN-UHFFFAOYSA-N 456.554 2.576 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1740616432 BAUOXJLJSPUGOJ-RXVVDRJESA-N 486.642 2.997 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1740618717 KFEOUKTWIQZXIQ-IBGZPJMESA-N 488.610 2.954 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740626929 XBKGNPFVEXAEQR-NTKDMRAZSA-N 474.602 2.576 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1740628545 RLATZABEUMNHIL-RCCFBDPRSA-N 470.586 2.869 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628990 YACYGCXVMQYXPC-IRLDBZIGSA-N 487.695 2.846 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)C1CCCCC1 1740639922 ZZNKYNUQMQOGFX-UHFFFAOYSA-N 471.609 2.919 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2nnc(C)s2)CC1 1740691149 VWENZUAFKWVHOR-INIZCTEOSA-N 455.563 2.715 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(CN3CCOCC3)c2)CC1 1740701901 FOMAOBXRFZNSON-NRFANRHFSA-N 478.641 2.638 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCCC2(C)C)CC1 1740701922 SIOXZNKPHMDBQI-XMMPIXPASA-N 471.005 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCC[C@@H](C)C2)CC1 1740707623 JRQRPNKILPJXNL-JOCHJYFZSA-N 478.641 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cccnc2OC)CC1 1740708323 LRMCIOFRTBRVJA-UHFFFAOYSA-N 488.592 2.892 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740748100 AACRRYOJHZIBAN-GCJKJVERSA-N 496.450 2.970 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740949108 GSCNMXJDIDBMJF-INIZCTEOSA-N 455.378 2.819 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740961675 HMMBQIPXCILYCP-UHFFFAOYSA-N 465.476 2.528 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1740963821 YBKHHNGNTWTMLQ-LJQANCHMSA-N 480.594 2.620 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1740990679 CVGOEOSJQWZPDU-UHFFFAOYSA-N 485.654 2.818 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740993684 CBNBWQBVFXBHJT-RBUKOAKNSA-N 479.672 2.878 30 10 JFEE CC(C)(C)[S@](=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1741243695 CFTCSVDIEQHMME-HYJWCJBQSA-N 454.556 2.876 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1746564446 AGHNCJQUDANIQJ-UXHICEINSA-N 481.557 2.618 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1748735337 PKZZBEXVHLFWQG-IBGZPJMESA-N 484.582 2.846 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(C)cn1 1748944100 LKVPOKBEABJZME-DEOSSOPVSA-N 452.534 2.914 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1oc(CC)nc1C 1748960260 FTZIHAXSYSZWPG-UHFFFAOYSA-N 475.553 2.668 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](OCC)C2CCCC2)CC1 1748972758 PXZQOJBUJNXFPM-OAQYLSRUSA-N 465.602 2.666 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(COC)CCC2)CC1 1749003568 NFUAOGQZTMWNIY-UHFFFAOYSA-N 466.542 2.636 30 10 JFEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749023676 ZVVDZUDPQPXVCQ-UHFFFAOYSA-N 491.665 2.815 30 10 JFEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1)c1ccccc1 1749244628 RBSFGGLUWBQMLK-PKTZIBPZSA-N 487.670 2.831 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1749343290 ZHXWGIVUASXXMX-OAQYLSRUSA-N 471.627 2.771 30 10 JFEE COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1749468353 AECWBBPTRITBAH-UXHICEINSA-N 457.600 2.894 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1749659482 FCKUHQFMWAEJCO-UHFFFAOYSA-N 465.539 2.603 30 10 JFEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1749671169 ZQZNFQBZUWAFHP-UHFFFAOYSA-N 457.648 2.924 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749738444 NGDUBOPNSDAPGA-DLBZAZTESA-N 465.645 2.885 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1749756207 UTEIOBUEGGATDF-IBGZPJMESA-N 471.631 2.761 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1749803015 AMQVYTOSNRJJBX-YADHBBJMSA-N 466.586 2.993 30 10 JFEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCO1 1752032137 GJJFIHPOVYXOPL-PKOBYXMFSA-N 473.599 2.557 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C(C)C)N1CCCC1 1760102628 NQJKBPXMRHBYAI-UGKGYDQZSA-N 472.659 2.774 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760185042 OFEGOFQNYHEGOL-KRWDZBQOSA-N 494.459 2.675 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1760187228 UJBKCCAYXLNMAE-MRXNPFEDSA-N 466.579 2.693 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1760189034 FXQNPQCCJVPXDP-FQEVSTJZSA-N 482.654 2.565 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](CC(C)C)NC(=O)OCC 1760216362 KSDHOSGCCBEUDC-SFHVURJKSA-N 468.558 2.630 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1760251689 GQUJLAZCAQFLJN-IBGZPJMESA-N 478.519 2.870 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2cccnc2OC)CC1 1760259113 YEVVCPDUSPPGJC-UHFFFAOYSA-N 467.371 2.915 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760305435 GDZOPDBDMSHSLO-UHFFFAOYSA-N 472.347 2.816 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760462645 FQYAYTRMCKXDLL-RWNPKEDZSA-N 485.589 2.541 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@H]1C 1760483318 MJLUYJPZSNLACM-LJQANCHMSA-N 479.560 2.978 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](CC)C1 1760518211 MKZABRWLMXPORE-HNNXBMFYSA-N 464.364 2.634 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1760521181 LRBTYEBJPISAKP-SANMLTNESA-N 493.612 2.934 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1760555234 ANEUGUYDASEXMP-JOCHJYFZSA-N 489.642 2.594 30 10 JFEE 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C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1691003244 FCCFALQNXDBPDM-WMZOPIPTSA-N 458.588 2.541 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCCC1 1692657502 GLIFOYFQXJMXFV-GOSISDBHSA-N 458.636 2.853 30 10 JFEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1693390931 FHUYYRARNZPKTG-UHFFFAOYSA-N 467.599 2.628 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1694211110 ACDODMUEPRNMHM-GCJKJVERSA-N 476.585 2.916 30 10 JFEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1)c1c(F)cccc1F 1696596559 CANHOTMRWMTAHK-RBUKOAKNSA-N 457.529 2.940 30 10 JFEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCCC2)CCO1 1698490463 BWRAIFWFQGXSNU-AWEZNQCLSA-N 450.312 2.881 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CC[C@H](CO)O2)c1 1705507421 AWGFUQFPMWOYTI-LEWJYISDSA-N 465.579 2.527 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705508810 VKHPORMWPVFZBV-SIKLNZKXSA-N 485.032 2.822 30 10 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C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1705896468 NRHXJENGQIREAZ-KRWDZBQOSA-N 457.600 2.667 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)C(C)(C)C)C1 1705927158 RPEIDQWBSPMAMV-LJQANCHMSA-N 472.615 2.511 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705940095 VKNHYXPPGOAOBF-UHFFFAOYSA-N 496.597 2.540 30 10 JFEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1708862003 BARVZRHQSKEOKN-OFVILXPXSA-N 468.602 2.581 30 10 JFEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1712020228 DXJSGLXJZBLSKJ-INIZCTEOSA-N 458.588 2.613 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CC(F)(F)F 1722290654 NAOHMXVNXBVIGR-IAGOWNOFSA-N 488.555 2.929 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1722359369 SIEHWLGJBNKKGX-LJQANCHMSA-N 460.600 2.542 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1722363140 QUUSOCIDEMABBY-IBGZPJMESA-N 483.569 2.943 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](c1cccs1)N(C)C 1722374736 DBMABTOOXKBUHK-NRFANRHFSA-N 496.662 2.633 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)[C@@H](C)CC 1722394900 JOLWBVFSAQFPDU-MHECFPHRSA-N 470.643 2.807 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccco2)CC1 1722442860 FSCNEVLAKFMRCP-UHFFFAOYSA-N 463.538 2.960 30 10 JFEE C#CCSCCn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1722463743 LMYVQULUNDJMML-FDDCHVKYSA-N 479.647 2.790 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1722499586 JCIMWNZRWVVSBI-HYBUGGRVSA-N 471.577 2.826 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722616811 CWEMDSYRYRBUHV-GOSISDBHSA-N 475.590 2.638 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1722636140 YEXPEVPETDLVNO-HTXNQAPBSA-N 457.332 2.856 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCOCC1 1722655331 CHZHIENGCUHPIY-NRFANRHFSA-N 452.603 2.675 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722672666 WAJBBZRPYYGGFB-UFYCRDLUSA-N 481.663 2.631 30 10 JFEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722735257 ORFIWIOJLUPJDH-ZWKOTPCHSA-N 487.626 2.947 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1722748845 BVAZPYQHSGKZLM-UHFFFAOYSA-N 478.615 2.957 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1OCC(F)(F)F 1723923757 AQOIXXFOTLBFFX-AWEZNQCLSA-N 486.520 2.618 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1727888294 HUMUYTJAFUHOOR-UHFFFAOYSA-N 495.628 2.776 30 10 JFEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2CCC(O)CC2)CCO1 1731188214 CKMFARWESRUTOK-KRWDZBQOSA-N 465.385 2.827 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2cccs2)c1 1740563037 QHEXDGZFWNAJTP-XMMPIXPASA-N 475.578 2.704 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCNc2ccccn2)c1 1740564602 RUXPQBNQQJJYMU-FQEVSTJZSA-N 459.554 2.735 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2ccnn2)CC1 1740565462 APYVLZLIUXRNON-UHFFFAOYSA-N 496.641 2.507 30 10 JFEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740573229 NIZVUSKPBDWKQF-YKSBVNFPSA-N 466.605 2.800 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC(C)C)nc1 1740602412 TVWPOSIUYOTLHR-UHFFFAOYSA-N 467.599 2.847 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740617444 RDNDEGFKSCESOG-BBTUJRGHSA-N 489.617 2.667 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1740621858 ZYZBNQYZADRXRA-IERDGZPVSA-N 499.420 2.684 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740626680 YLZMXIKMJDAFME-NHCUHLMSSA-N 454.596 2.883 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)C(=O)NC 1740678595 PDROUTWCBVRCGD-ICSRJNTNSA-N 457.550 2.553 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2)CC1 1740700544 CDLFHMYFZQUAGT-UHFFFAOYSA-N 477.956 2.593 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1740708453 QAEDSMAWRTUYIU-VWLOTQADSA-N 481.597 2.943 30 10 JFEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1740801791 COJNAXRZENDGPQ-FQEVSTJZSA-N 466.611 2.743 30 10 JFEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740857172 GOXXCUCSJIEWKW-UHFFFAOYSA-N 497.003 2.805 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1740876663 KKCXVFCKNPNCSE-QZTJIDSGSA-N 462.595 2.515 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1740918041 JPWQORWJIWZYAK-HSZRJFAPSA-N 496.637 2.750 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1740930120 MYWWJAAXPIDRRP-UHFFFAOYSA-N 450.934 2.921 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2ccccc2OC)nnc1[C@@]1(OCC)CCOC1 1740965351 OCUMGTWUUZKLAB-NTKDMRAZSA-N 455.559 2.583 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1740977381 GLWXIRYFPSBISV-PMACEKPBSA-N 481.519 2.998 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 1740994105 MPLWDPNETBRVMH-UHFFFAOYSA-N 498.653 2.784 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1741002300 HFRCYBRMHXPKOE-IBGZPJMESA-N 494.658 2.813 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1741002428 NFETYJOFSSLXSA-AUSIDOKSSA-N 486.661 2.916 30 10 JFEE CC(C)(C)c1nnc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)s1 1741158743 GZYPAXMFYIRZNX-FQEVSTJZSA-N 455.523 2.565 30 10 JFEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 1741617556 BWJZSPYKRAAIFW-XMMPIXPASA-N 492.672 2.678 30 10 JFEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)CCO1 1748222487 HOCQJVFOOYAAJU-ICSRJNTNSA-N 488.539 2.896 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1ccco1 1748646535 AOWWVOHKMZWZJC-IVZQSRNASA-N 456.572 2.505 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncccc1N(C)C 1748680701 WMFKBFDVESFDGC-QFIPXVFZSA-N 472.641 2.610 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O 1748689688 GRXRWEVBXQRBJN-ZYSHUDEJSA-N 454.575 2.562 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748815462 QMZRWXZSDUQLCR-CIAFKFPVSA-N 491.702 2.555 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1748818701 DVNCHGGTRIELRQ-OAQYLSRUSA-N 487.626 2.951 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1748819298 MGZPQNBZCXCSOT-FQEVSTJZSA-N 485.635 2.708 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748823981 GPMOTWBTHWDULR-IBGZPJMESA-N 490.601 2.972 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1CCC[C@@H]1CO 1748901832 AWRMKZKCULJSSB-DNVJHFABSA-N 455.647 2.897 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1749103417 VSUSQRIFZKTJAS-ZBFHGGJFSA-N 484.420 2.926 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCCO1 1749120611 GOCCUHNRRYXCTK-KCZVDYSFSA-N 489.642 2.792 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1749143163 DTKDWDADWODZCD-ZWKOTPCHSA-N 464.611 2.956 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749360120 VHWSQFCHSIEHPM-UHFFFAOYSA-N 454.550 2.614 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749403306 ZEDVUDTWBSGPEG-LEWJYISDSA-N 491.662 2.622 30 10 JFEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1749454980 OKOZOJSNGVPGKY-HXUWFJFHSA-N 479.585 2.543 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1749553618 JJRWQJULUIFKCF-LJQANCHMSA-N 477.612 2.815 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1749575348 QHWPUVGKWMCVFC-UHFFFAOYSA-N 466.634 2.741 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749629943 FRCRQIXLFRENRM-YADHBBJMSA-N 498.628 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O=C(Cc1ccccc1)OC/C(O)=N/c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 8684388 YNTDYGSOTMZQMN-UHFFFAOYSA-N 487.578 2.682 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3C(=O)NCC(C)C)cc2C1=O 9702342 IRHHVBPARMPWSH-UHFFFAOYSA-N 463.490 2.650 30 10 JFEE COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)c3ccc(C#CC(C)(C)O)o3)C2)c1 14755347 CYCJEZXEECGEQR-HSZRJFAPSA-N 482.577 2.936 30 10 JFEE COc1ccc(CCNC(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)cc1OC 21354582 HDAONIKCROEKPT-UHFFFAOYSA-N 488.544 2.965 30 10 JFEE CCOc1ccc(CN(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 39915154 GONJIXBYHURXDF-SFHVURJKSA-N 466.581 2.686 30 10 JFEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n[nH]2)c1 58997823 JCXVPMRNJISFLS-LSHDLFTRSA-N 488.526 2.722 30 10 JFEE CC(=O)O[C@@H]1CC[C@]2(/C=N/O)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]2(O)C1 253530285 XEZYOTFVCGERLI-WXXUEHQOSA-N 461.555 2.730 30 10 JFEE biogenic C=CCN1C(=O)c2ccc(C(=O)NCCCNC(=O)c3ccc(Br)cc3)cc2C1=O 522566208 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CC(C)N(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1692472666 FEMISUKXRGZGOK-LJQANCHMSA-N 477.592 2.725 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1696458118 FHCGVZUAYIFNRJ-UYAOXDASSA-N 487.626 2.947 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705522947 IAAJTIVJGZVNCY-GOSISDBHSA-N 468.989 2.770 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705561476 QNCLFYQBYWZNDS-ATZDWAIDSA-N 493.427 2.759 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705564140 AMGJHQJPFPGZNY-LJQANCHMSA-N 457.600 2.793 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705567361 XEGOJEUDWPGKOQ-KRWDZBQOSA-N 491.564 2.735 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1N(C)CCCC1(C)C 1705629932 AJIHELLJSVJXRV-JOCHJYFZSA-N 450.587 2.935 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)C(=O)NCC)CC1 1705635068 QDAUVJHAFSQZPV-UHFFFAOYSA-N 459.598 2.719 30 10 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JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCC1 1705936842 ZJXPKUUOTOGCLP-UHFFFAOYSA-N 467.636 2.982 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705944918 WWPWROWHRMIDPQ-UHFFFAOYSA-N 474.656 2.986 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCC(=O)N(C)C)c2ccccc2c1=O 1706072412 CNANQSIYQIIJMR-KRWDZBQOSA-N 464.574 2.700 30 10 JFEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1706998772 GTGFAOMMYQXKKE-IRXDYDNUSA-N 455.588 2.739 30 10 JFEE CCc1nnc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)s1 1709020408 FNQUUWFLFNILTN-UHFFFAOYSA-N 451.604 2.922 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)N2CCOCC2)c1 1722305475 QXYISIDROATRHM-UHFFFAOYSA-N 473.581 2.507 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(c2nc(C)ns2)CC1 1722324904 AVMJHQFZYPMEIB-UHFFFAOYSA-N 485.639 2.639 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1722359808 BJQXCLWTQPJNIM-SFHVURJKSA-N 469.636 2.983 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1722363952 IUGOHORBKZBJCD-XQBPLPMBSA-N 485.654 2.995 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722417679 PFFZWDVVXFWZEI-NNWRFLSQSA-N 467.570 2.627 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)COC)CC1 1722434278 ONJOJNFDFTYUIR-INIZCTEOSA-N 462.392 2.754 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccco2)N(CC)CC)CC1 1722445106 LPJTXNZLMCFGIY-JOCHJYFZSA-N 477.613 2.926 30 10 JFEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722526007 OBIOLLSXPUZAMJ-UHFFFAOYSA-N 451.619 2.753 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC(OCC)C2)CC1 1722560406 YPDQSOXGYPCDBV-UHFFFAOYSA-N 459.978 2.948 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1722645291 HNFRCRXSRWYGJA-PXNSSMCTSA-N 459.616 2.901 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1722666166 DYHBTCQQVRNBLQ-GOSISDBHSA-N 478.018 2.865 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CSCCS1 1722678565 BZBQBISXFKIVJI-KRWDZBQOSA-N 468.670 2.836 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722682706 DGNXSLAFYINVKY-DENIHFKCSA-N 468.602 2.746 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722700452 JWXJFMSALJSQOS-UHFFFAOYSA-N 480.613 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722726963 KPGLPINXZKXFPR-SFHVURJKSA-N 495.045 2.914 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722729667 SVLSEJSMYFQJNC-UHFFFAOYSA-N 472.659 2.565 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1722738142 BROGFYRBMKRWEK-FQEVSTJZSA-N 495.715 2.718 30 10 JFEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)s1 1727487456 HILAIPHGBUPHHE-MRXNPFEDSA-N 464.599 2.972 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(OC)nc1OC 1740531567 OMZAZQIDCPKVGI-OAHLLOKOSA-N 468.945 2.780 30 10 JFEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)CC1 1740571230 OGOQTEMRHDRCDH-UHFFFAOYSA-N 457.648 2.820 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740619823 LPHCNOHWZXQOCK-QHCPKHFHSA-N 480.638 2.708 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1740623274 QRNARBZIOSGVHX-YADHBBJMSA-N 479.606 2.533 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccccc1OC 1740657607 UGCDHSSOZSILFW-UHFFFAOYSA-N 455.566 2.972 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1740693405 XNULPUOWGKVANW-UHFFFAOYSA-N 462.019 2.711 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740719675 JCMZKTDSGIMSIS-HXUWFJFHSA-N 453.620 2.556 30 10 JFEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1740792908 MZNXUFMUGLYQAI-GOSISDBHSA-N 452.559 2.883 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)CC1 1740839050 FSCCFXNIKDRFSV-NRFANRHFSA-N 477.606 2.785 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740861235 GLQCRGRHBGCFDZ-QGZVFWFLSA-N 459.620 2.557 30 10 JFEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740943769 JNRHOPIRASLHMC-PZJWPPBQSA-N 482.629 2.965 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)NCc1ccccc1 1741477856 IAEUHWKWPKINBY-FQEVSTJZSA-N 487.612 2.560 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CCN(C2CCC2)C1 1743253570 BAZJOKHRBXFDQD-MRXNPFEDSA-N 457.529 2.509 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1748734554 GMGLDZLCCSSTAM-HNNXBMFYSA-N 465.476 2.881 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748801827 HOAPVJLTMJVKAD-ICSRJNTNSA-N 474.627 2.924 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1748817286 HWBQVQQQTFUPAZ-ROUUACIJSA-N 498.527 2.550 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCc2nccn2C1 1748881485 FQRLFEGIKZKHIN-LJQANCHMSA-N 474.565 2.893 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)c1nccs1 1748886637 JXFTYWRBZSERJH-QGZVFWFLSA-N 457.563 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2COC)CC1 1749009959 NIRAWNRWFCWUKS-JOCHJYFZSA-N 451.571 2.680 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749085742 DNPUVRYVRSIZBE-JKSUJKDBSA-N 459.385 2.685 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749120856 IENWNEVCRYUBMG-MPGHIAIKSA-N 477.407 2.694 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749174946 ITJFZFNLKZZUAG-UHFFFAOYSA-N 459.352 2.737 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749175630 KZKBBHHJCLMKCG-AUSIDOKSSA-N 452.603 2.909 30 10 JFEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(=O)N2CCOCC2)CC1 1749345596 NGDSWGFRJCVSNT-UHFFFAOYSA-N 453.587 2.723 30 10 JFEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1749380869 AWRBOTGDPJXNAU-NQIIRXRSSA-N 488.658 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2nccs2)C1 1749729743 QKXBVDPITVSXSU-SFHVURJKSA-N 459.597 2.889 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749761099 UTFIYQDOURHJEU-HRAATJIYSA-N 463.629 2.573 30 10 JFEE COCCN(C)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1749774287 BRNYGLVWHBDAEJ-UHFFFAOYSA-N 483.020 2.713 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1749850621 BLEFVKDKXRJJAF-OAQYLSRUSA-N 479.585 2.885 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@H]1NC(=O)OC(C)(C)C 1752318067 FHGTYOTUGWNIBR-OXJNMPFZSA-N 479.585 2.692 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760189009 FIOFPPBPGWWQHN-OAQYLSRUSA-N 471.627 2.630 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1760191376 GHRWHUNLDBYMCF-IBGZPJMESA-N 483.594 2.699 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760199761 IAVVEEFVUJJSCQ-FQEVSTJZSA-N 461.488 2.680 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1Br 1760202319 ZSKBFHLCYBNNJZ-UHFFFAOYSA-N 452.312 2.889 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cc(Br)cn1 1760230181 UOJRKYJOVLLWLF-UHFFFAOYSA-N 457.332 2.835 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cnn(CC)c2)CC1 1760255433 AJXVQRLQTFOEAL-UHFFFAOYSA-N 472.366 2.867 30 10 JFEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760309749 GTJDIQDATCPCMN-KRWDZBQOSA-N 461.408 2.862 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(CC)CC)cc2)CC1 1760389199 FWJVKLPKCUGPMY-JOCHJYFZSA-N 488.658 2.662 30 10 JFEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760437389 BHIVEINUEFYSNU-UHFFFAOYSA-N 485.614 2.810 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC1(O)CCS(=O)(=O)CC1 1760492253 MIDLSUYWSRXEHZ-UHFFFAOYSA-N 453.568 2.611 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1760525912 WLCXUBGQWDLSTH-UHFFFAOYSA-N 497.581 2.892 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760526635 DVMKCVDPDZBUFS-UHFFFAOYSA-N 464.614 2.737 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760556746 OTOLTFJBEFWLDN-OAQYLSRUSA-N 469.615 2.520 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Nc2cccnn2)CC1 1760560176 ZIOHJNCQUIZGOB-UHFFFAOYSA-N 465.587 2.716 30 10 JFEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1)N1CCOCC1 1761395465 CFDUEDZNEYPEPQ-GOSISDBHSA-N 477.535 2.612 30 10 JFEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C[C@@H]1C 1767114340 HUJOXGHECAVHKK-LEWJYISDSA-N 451.619 2.848 30 10 JFEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C(C)C 1768130678 BWLHCSPLASDLQC-PKOBYXMFSA-N 494.518 2.905 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)C1 1769415224 GWXJEOCESMVQLD-GOSISDBHSA-N 454.531 2.683 30 10 JFEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1770911884 GTKIBCYFKXCYMR-IBGZPJMESA-N 454.575 2.896 30 10 JFEE 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2.967 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)nc1 1507548389 RMJPSGROGQCVAM-NRSPTQNISA-N 495.628 2.787 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507628482 WUVLOFBLVALCCB-LJQANCHMSA-N 498.565 2.777 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccccc1C(C)C)[C@H]1CCS(=O)(=O)C1 1507631882 GVFIVMFZSCRJMD-UXHICEINSA-N 472.611 2.611 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1507640779 WBPMMNNXZYHCSB-GOSISDBHSA-N 476.574 2.775 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1507659571 ZKLNHLQOMMBLGE-HXUWFJFHSA-N 460.582 2.554 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1CCS(=O)(=O)CC1 1507666808 GEIAYHCDMYNIBC-UHFFFAOYSA-N 463.563 2.888 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1507668755 CFVKNACJVGWCTM-XZOQPEGZSA-N 498.672 2.702 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507722938 OHNAVRAHNMVLSI-QFIPXVFZSA-N 466.630 2.838 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1507722989 QFTBUZVXKJIUMP-VWLOTQADSA-N 453.587 2.659 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)NC2CCCCC2)CC1 1507736742 QWTDPTKSYBUVIE-UHFFFAOYSA-N 480.588 2.889 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507752996 HHMYFVCKGCCGPN-OAQYLSRUSA-N 498.672 2.897 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507798803 HTIBIVPCDOKRFC-YKSBVNFPSA-N 482.629 2.582 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C1CCCCC1 1507973326 ZPJYMPHEVRHAAZ-UHFFFAOYSA-N 474.631 2.609 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1508006640 TWFOBFXKLGFWGH-UHFFFAOYSA-N 481.626 2.950 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1508017645 UEDYZAFLPMKKGD-VXKWHMMOSA-N 450.587 2.790 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508141929 QHRBLVIIRMBQAF-RBUKOAKNSA-N 497.662 2.956 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1508143488 ZMHBHNHRNOISLS-WWNPGLIZSA-N 487.670 2.872 30 10 JFEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1514107586 DJNHYPCDXXETPC-OFNKIYASSA-N 479.629 2.908 30 10 JFEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)(F)F 1517346914 HICJXVFPBGUQSI-UHFFFAOYSA-N 494.499 2.682 30 10 JFEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1517732966 FCMUVMPHPJHWFZ-IBGZPJMESA-N 468.602 2.843 30 10 JFEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1522315814 DBCKYPPEYGSXMR-MOPGFXCFSA-N 458.584 2.912 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)N(C)C)c1 1539039021 XZYFTKYEMUUKAN-NRFANRHFSA-N 493.637 2.837 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1539211380 IFTAAIUDFNSKQI-SFHVURJKSA-N 476.986 2.581 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539231228 UCJIVCWWJFGGTO-AVRDEDQJSA-N 481.018 2.544 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCS1 1539237973 OQCYQLJUGVKYEM-SFHVURJKSA-N 456.641 2.905 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=O)N1CCOCC1 1539246067 IEFIFGHVCWHILQ-UHFFFAOYSA-N 463.538 2.744 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C(C)C)N1CCOCC1 1539406025 RXBJZNMCKKANAX-QHCPKHFHSA-N 462.598 2.936 30 10 JFEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nc2cc(Cl)ccc2s1 1539420634 JNARHSVVZVHJHG-UHFFFAOYSA-N 458.975 2.798 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CCCO2)CC1 1539462375 FAAQUIGVXFYYJK-YADARESESA-N 458.607 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)Nc2ccc(F)cc2)CC1 1539474299 NRMDHETXBLRMBT-UHFFFAOYSA-N 495.946 2.737 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](OCCOC)C1 1539497525 KMKMVPCYPMANJX-INIZCTEOSA-N 468.421 2.654 30 10 JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539513074 LQHAQTHZIGVRAW-UHFFFAOYSA-N 484.651 2.551 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539585883 CPXSETZVCLYRGE-GOSISDBHSA-N 498.429 2.858 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1539628539 RBSZTIRCAICLDQ-WZONZLPQSA-N 493.612 2.619 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539758504 ITGLNZRMFXVDFW-JOCHJYFZSA-N 469.586 2.586 30 10 JFEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539918933 UECNPVFVMGRMLS-ZWKOTPCHSA-N 486.617 2.976 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1540186847 HTDOFOFKKMTLKS-HKUYNNGSSA-N 499.584 2.875 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 1540858514 ZVQZIAQNSOWYRD-GOSISDBHSA-N 473.553 2.633 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1540900514 YBUNCOGNEPMMJI-HZPDHXFCSA-N 453.012 2.513 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1540905595 UEMIQKCWOWWFPC-UHFFFAOYSA-N 460.648 2.994 30 10 JFEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](C(C)C)N1CCOCC1 1543310608 CNHHHNHPPNVVKJ-JOCHJYFZSA-N 458.010 2.795 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1544339286 PXGZLOHXJSMNQD-CQSZACIVSA-N 457.708 2.626 30 10 JFEE CC[C@@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1545958350 BKBYEHWBDQIUNW-OALUTQOASA-N 470.574 2.574 30 10 JFEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21)S(C)(=O)=O 1547574815 AGTUXVDQOCGZSW-FPOVZHCZSA-N 472.615 2.779 30 10 JFEE CCSc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1552495035 FODAIEYGJJEMHA-QFBILLFUSA-N 478.644 2.510 30 10 JFEE COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1Br 1554944896 DSFLBAUVGTVXRT-KRWDZBQOSA-N 469.343 2.812 30 10 JFEE N#Cc1ccc(OC2CN(S(=O)(=O)C[C@@H]3CCCN3C(=O)OCc3ccccc3)C2)cc1 1561453167 AZPXYMHIGFQKMG-FQEVSTJZSA-N 455.536 2.752 30 10 JFEE COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cc1C#N 1587743844 CYSWLNUWELBUPU-OAQYLSRUSA-N 459.524 2.670 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1588064154 BTAXIYJLHWKCBG-QFIPXVFZSA-N 463.607 2.864 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCN(C(C)C)CC1 1588082861 AXWXEJWXBGQDBP-FQEVSTJZSA-N 453.562 2.865 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(C)c(OC)c2)CC1 1588751845 OFWDWVLZZSBYIO-SANMLTNESA-N 467.614 2.634 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCC[C@H]2C)CC1 1588947354 PDJAFTDMNOSGCW-LJQANCHMSA-N 469.033 2.972 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CC1 1589316719 GALFUZDZEIRIQH-UHFFFAOYSA-N 454.394 2.950 30 10 JFEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1589404039 GFAONJVKYCVFEW-RBUKOAKNSA-N 462.392 2.546 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N(C)CCN1CCOCC1 1589427190 CRMMETXFWVDNGL-UHFFFAOYSA-N 450.381 2.555 30 10 JFEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1594498485 WAKACRFRVYPVBJ-LJQANCHMSA-N 452.607 2.756 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1)c1ccccc1 1594534530 LYQCKRSNKBZWFU-RPWUZVMVSA-N 479.673 2.992 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1595156533 NLEJATXQBJTLCN-IBGZPJMESA-N 457.648 2.509 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2sccc2C1 1595467693 YLJDOVMDJZPCJB-UHFFFAOYSA-N 470.986 2.788 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1595506743 LGBCNYHCHZMTIX-KDURUIRLSA-N 482.585 2.559 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1595551942 YNWHEYZKCNSNCA-UFYCRDLUSA-N 488.633 2.905 30 10 JFEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1595607336 DTHCXULWJBDMHX-JOCHJYFZSA-N 489.642 2.645 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)C1 1595761194 YTOMLWSVMPHDPN-HSZRJFAPSA-N 475.615 2.753 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595838041 JIDGXFIIEHNNPX-GOSISDBHSA-N 456.572 2.707 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1F 1595884958 XPIORNFGCDNRRI-APWZRJJASA-N 483.635 2.867 30 10 JFEE CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1610171123 HBNOYADKNUSQSJ-HXUWFJFHSA-N 499.641 2.888 30 10 JFEE CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1613620745 HQHDOPZSLBRDKU-ZWKOTPCHSA-N 486.573 2.994 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)CC1 1631352314 ROQODGYBNPOBOA-LLVKDONJSA-N 453.779 2.503 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2cc(F)ccc2n1C 1633931820 GVRQMVMJHCTEQK-MRXNPFEDSA-N 457.531 2.626 30 10 JFEE COc1cc(Br)c(OC)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1638202725 CXHWZVSHYLPJHU-NHYWBVRUSA-N 454.321 2.955 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3c(F)cccc3OC)nnc12 1649087418 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CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2284061800 ZOAIPVIKFMKFKT-AWEZNQCLSA-N 494.448 2.651 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)no1 2287037876 ILLNPACEVKSANV-HNNXBMFYSA-N 460.340 2.896 30 10 JFEE COc1ccc([C@@H]2C(=C(O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 2296082446 DVLMLZZGOLKFKE-XMMPIXPASA-N 496.560 2.856 30 10 JFEE COc1ccc(CNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)O2)cc1B1OC(C)(C)C(C)(C)O1 2296184927 WKXNSDLOPKTJKG-GOSISDBHSA-N 462.352 2.552 30 10 JFEE CC(C)(C)OC(=O)NC1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)CC1 2317406063 BWWQIIGTIAMITL-FQEVSTJZSA-N 463.644 2.700 30 10 JFEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2327108254 AMFLYYXARYDBQP-HNNXBMFYSA-N 455.552 2.816 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330747962 YDSZYCXOQDLXKX-UHFFFAOYSA-N 494.946 2.545 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(O)cc1O 2330750032 IHRPEKRUMOJROC-UHFFFAOYSA-N 468.539 2.555 30 10 JFEE CCCN(CCC)C(=O)CSc1nnc(COC)n1N=Cc1cc(OC)c(O)c(OC)c1 2331595193 YBUIGGQTDCBPPP-UHFFFAOYSA-N 465.576 2.770 30 10 JFEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2342486283 UADPMMVTXLYJEL-LJQANCHMSA-N 460.327 2.688 30 10 JFEE Cc1scc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2343515537 JMRFUZGEXSTNPT-LJQANCHMSA-N 456.417 2.987 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2C[C@H]3OCC[C@H]3N2C(=O)OC(C)(C)C)[nH]1 2362163021 ZPHQZLQLYGVLMS-IPMKNSEASA-N 459.396 2.690 30 10 JFEE CC(C)[C@@H](C)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2362357340 YURDGQJNHOVPBE-CVEARBPZSA-N 464.416 2.635 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)n1C 2362565934 IOHCLACIHNDEAG-UHFFFAOYSA-N 452.408 2.764 30 10 JFEE CC(C)(C)OC(=O)NC1(CO)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC1 2364929277 FUBXUFPVMMCUPW-UHFFFAOYSA-N 457.380 2.713 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2368865608 MUQRZRYFZWVGON-FHLIZLRMSA-N 478.420 2.944 30 10 JFEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccc(C)c2)CC1 36211672 GOIMQDMPMUXGMY-HSZRJFAPSA-N 463.534 2.677 30 10 JFEE CC(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)cc1 58997447 NTCCWIPIBYTGEE-AWQFTUOYSA-N 455.456 2.798 30 10 JFEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n1)CC2 59844091 GXFNBNSRPLWPPL-FOKLQQMPSA-N 497.537 2.853 30 10 JFEE COc1ccc(OC)c(/C=N/N(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)c1 59857697 QRLQNHUGHVXVDM-BUVRLJJBSA-N 472.567 2.794 30 10 JFEE CC(C)CCOc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444438 NPJCSSYXIBGYFF-UXHICEINSA-N 493.564 2.762 30 10 JFEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc4ccccc24)[C@@H](C#N)C(=O)N3)CC1 72444774 IZPOCVFRGJERHD-UXHICEINSA-N 471.517 2.926 30 10 JFEE COc1cc(/C=C\C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)ccc1OCC#N 97995985 FNAQIWGXSATBLS-VURMDHGXSA-N 452.486 2.533 30 10 JFEE N/C(=N/OCC(=O)Nc1cccc(I)c1)c1ccnc(N2CCCCC2)c1 109148429 VCCZGVHATHSWCU-UHFFFAOYSA-N 479.322 2.952 30 10 JFEE C#CCOC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1 245280909 VUTGIDXRDBPHMC-HYBUGGRVSA-N 486.634 2.984 30 10 JFEE CCCOc1ccc([C@@H]2c3c(O)nc(N4CCC[C@@H](C(=O)OCC)C4)nc3NC(=O)[C@@H]2C#N)cc1 256032900 KBXCUDGKIVZHBK-QRQLOZEOSA-N 479.537 2.974 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3[C@@H](C)CCC[C@H]3C)nnc12 518614773 WVDDACXOKUIUGX-CALCHBBNSA-N 454.600 2.701 30 10 JFEE CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccnc(C)n2)c1 726885889 IAUUXSXQSWHTPL-LJQANCHMSA-N 457.556 2.850 30 10 JFEE C#CCO[C@@H]1CCN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757213964 UVEACEICUKPSBD-HXOBKFHXSA-N 462.502 2.619 30 10 JFEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1cccc(N2CCCC2=O)c1 916948728 HLEZBSPDFDIXAZ-QFIPXVFZSA-N 494.573 2.949 30 10 JFEE COc1ccc(C=NNc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)cc1 1084216192 DVBNXGNZBWJISB-UHFFFAOYSA-N 456.528 2.685 30 10 JFEE Nn1c(NN=Cc2cccc(Br)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084308541 LALCTTIKAKODLO-UHFFFAOYSA-N 491.331 2.839 30 10 JFEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccccc3OCC)n2N)c1C 1084453797 DPENYJLJXDJISU-UHFFFAOYSA-N 469.575 2.567 30 10 JFEE CS(=O)(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)Cc2ccccc21 1138045163 BVTZBIRTWLVDSN-UHFFFAOYSA-N 454.552 2.522 30 10 JFEE C=CCN(C)CCN(CC)C(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1139869749 RSRJCGXWQWJFCX-OAHLLOKOSA-N 456.538 2.978 30 10 JFEE C#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1142201850 AYGISYLZIIAAJO-NHCUHLMSSA-N 452.555 2.676 30 10 JFEE C=C(C)C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1153312966 DUUUXFSPNAAJHY-GOSISDBHSA-N 452.960 2.884 30 10 JFEE COc1ccc([C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)c2ccccc2Cl)c(OC)c1 1187504854 ABBAJIFXKCHAMV-MGPUTAFESA-N 451.932 2.505 30 10 JFEE CC(=O)N(C)c1ccc(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1 1214802934 HNECOTKQLZSKKU-NJNXFGOHSA-N 457.556 2.804 30 10 JFEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H]1CCOc2ccc(Br)cc21 1265209513 FONSNYJXMDVYEF-KSSFIOAISA-N 457.328 2.521 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CN(CC(C)C)CCO2)c1 1286312351 WWQLVIJHEBEGMW-DNQXCXABSA-N 494.640 2.933 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286314943 JMUPFJLLALXMFM-JOCHJYFZSA-N 466.630 2.982 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1286315130 URUMYWQYGSSHQN-UHFFFAOYSA-N 481.004 2.725 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1286336748 OHJRWQDVTDUWJN-UHFFFAOYSA-N 494.581 2.703 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1csc(CC)n1 1286365751 INWMURKYYKFRCP-UHFFFAOYSA-N 458.613 2.526 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286383507 XALCLSMJCBIRNJ-GGPKGHCWSA-N 484.576 2.602 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1286385447 MXFSMLPYGRHCQO-RDJZCZTQSA-N 451.980 2.546 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286388571 ROZCIHWATCOEII-WIOPSUGQSA-N 481.622 2.775 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286388733 VCXNCCHXMNZKEO-NRFANRHFSA-N 485.585 2.744 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286390514 BMDSSQXLDMJSHR-SIKLNZKXSA-N 469.655 2.987 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1286424246 TZCDIEVCMWYPHH-NRFANRHFSA-N 452.509 2.636 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCOC(C)(C)C1 1286459913 WMGDMLUEYFPXFX-UHFFFAOYSA-N 450.587 2.634 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286546237 HRXGPRNLEVCLKT-GIWBLDEGSA-N 458.651 2.906 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1286568315 VWCYWMZZKNCUSL-RDPSFJRHSA-N 469.586 2.906 30 10 JFEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286622637 JJFBFUFPSAIERM-NRFANRHFSA-N 490.008 2.837 30 10 JFEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286708924 IVVWNWGZVIOTNG-UHFFFAOYSA-N 484.626 2.946 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1286726199 BJHLJSHIINJNFS-IBGZPJMESA-N 453.547 2.905 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1286771175 AHCZXPXJYPWKEI-IBGZPJMESA-N 475.615 2.979 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1286802458 BJNMXWNKTDXXLT-DVECYGJZSA-N 459.566 2.965 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1286815313 RCZMSSFHKAXMBI-SFHVURJKSA-N 460.600 2.843 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](SCC)C1 1286819559 OAKOLKSPWSZTNG-MRXNPFEDSA-N 481.644 2.719 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1286821947 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499.703 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359333385 WATYXIQZNFAOHM-QGZVFWFLSA-N 469.652 2.913 30 10 JFEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)N1CCOCC1 1360540061 DCUSCRNGQKDEKY-FPOVZHCZSA-N 495.628 2.888 30 10 JFEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)C1 1455705230 OSLVNPWAWQJLDW-MAUKXSAKSA-N 452.418 2.514 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(C)CCCS1 1497036557 CWRSXDLAXCVAJZ-DEOSSOPVSA-N 499.689 2.722 30 10 JFEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1504560830 AGECJPWGZMUCEK-PQNGQFLHSA-N 493.656 2.916 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC(F)(F)F 1507616517 KLQGYTWMNXWJQP-INIZCTEOSA-N 456.490 2.547 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507641159 ZCKMYIXPXYNKEP-YADHBBJMSA-N 485.654 2.667 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)CCC(C)C)CC1 1507717427 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690238822 NXAUTSRDJBARHH-RYTRXMBJSA-N 490.626 2.570 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1690258822 VOLMGGXTQXBUTO-LJQANCHMSA-N 461.632 2.719 30 10 JFEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCNC(=O)C(C)C)CC1 1690414954 RTMTTXZGVWEUFL-UHFFFAOYSA-N 479.673 2.817 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 1690441543 AIUFSMIEXFURKF-AFMDSPMNSA-N 493.612 2.591 30 10 JFEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690486976 ZPQPMQXXTVTBBG-HSZRJFAPSA-N 458.513 2.928 30 10 JFEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(F)c2[C@@H]1C 1690497490 RHFLUWKQIXQITE-CVEARBPZSA-N 451.568 2.744 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)C1 1690941706 AYCAKHCMSDWSKY-OAQYLSRUSA-N 466.586 2.776 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1cccs1)N1CCCC1 1692781301 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LECLQTXPIKVBRI-LQWHRVPQSA-N 455.559 2.645 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705733362 NAQMSZYOMGLCDM-HXUWFJFHSA-N 452.563 2.765 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1705747097 FBLVRVLTGQSXAR-LSDHHAIUSA-N 460.025 2.888 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](SC)C(C)(C)C)CC1 1705781611 DKNCXZYHEIUMMG-QZTJIDSGSA-N 471.693 2.791 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705787887 IHFCFBIIDNBIPY-UHFFFAOYSA-N 486.020 2.867 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1705829259 LPHIGGJCICOYEZ-KRWDZBQOSA-N 465.558 2.682 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1705861248 ZKMUIOFQMFWKNU-UHFFFAOYSA-N 452.603 2.818 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCCS1(=O)=O 1705861924 TUWVXCHJJUTIRX-UHFFFAOYSA-N 452.584 2.877 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCS(=O)(=O)C1 1705883131 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1711018640 DIOOHOXCBHISEV-UHFFFAOYSA-N 465.583 2.769 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC(C)(C)C1 1722279290 GYZCTKFKVLCFRO-IBGZPJMESA-N 472.659 2.775 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722362336 NEZGHROPLDNAIE-LJQANCHMSA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722367081 UUHPBSHUAGQPDZ-HOCLYGCPSA-N 455.506 2.880 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722370826 FDECPQDNAMNGHJ-ZVDOUQERSA-N 461.676 2.614 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722460007 BHZSKZHEBNPYRO-VWLOTQADSA-N 496.725 2.775 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722528949 MYECWYBTBYQYGC-QGZVFWFLSA-N 468.533 2.806 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722568629 UMOHZAFDRCPQDX-UHFFFAOYSA-N 471.608 2.878 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1722660979 ODPVKURNFMKYQO-UHFFFAOYSA-N 458.632 2.879 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1722731518 MSSRMRJCEDYMSR-LJQANCHMSA-N 478.590 2.850 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)C1 1722828340 CDCWMFQMCUHVHT-OAQYLSRUSA-N 463.586 2.572 30 10 JFEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C 1723533634 DAHCTXHAMNODTN-OAQYLSRUSA-N 458.632 2.949 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2OCC(C)C)CCOC1 1728815397 DOOMQHGUTURCEI-YKSBVNFPSA-N 455.559 2.742 30 10 JFEE CO[C@H]1COCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730412065 GVQSOSBEPMCXHE-GOTSBHOMSA-N 452.603 2.722 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740567207 OVBANQKHCZDCCS-OAQYLSRUSA-N 481.988 2.767 30 10 JFEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740577785 PHKJOQZLIKNISB-IBGZPJMESA-N 460.987 2.941 30 10 JFEE 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499.637 2.891 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](CNC(C)=O)C1 1301436214 UZSIRYUPULWXHK-CQSZACIVSA-N 454.756 2.888 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1301506503 MAEJMVAYOBSXAD-HXUWFJFHSA-N 462.554 2.925 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1301529968 OPVVUUJIPNCNQV-NQIIRXRSSA-N 489.642 2.754 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCS(C)(=O)=O)C1 1301546494 SRBJXPIWUBAVJI-INIZCTEOSA-N 499.431 2.932 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@](=O)C(C)(C)C)C1 1301555106 SLIDWIPFAMKSQQ-WGLOFEKDSA-N 484.626 2.521 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301596630 UQFHQFMEJHLISB-AVRDEDQJSA-N 454.637 2.792 30 10 JFEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301603859 HLJNRCNDLHSUCJ-UHFFFAOYSA-N 453.572 2.955 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1301612116 VTFVDGGEQPHQPJ-KRWDZBQOSA-N 453.609 2.732 30 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C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359052764 PFAPFFPWQJETRA-QGZVFWFLSA-N 457.600 2.824 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359135862 QKXUUBCUXCYJGI-GOSISDBHSA-N 499.431 2.836 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1359216113 PIKBXRGNMUHGMP-UYAOXDASSA-N 463.648 2.621 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359292232 KVAPDLGSVMSMKQ-NFALYKFKSA-N 469.586 2.716 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1359302376 FQOMYKVLTDQTPD-FQEVSTJZSA-N 462.554 2.925 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359343503 UZKGASBCCVOYKM-QUCCMNQESA-N 473.647 2.611 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1C(F)(F)F 1359466374 ADVPNXJQTNHJIW-UONOGXRCSA-N 458.510 2.746 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 1443358651 SIYCVYHUYCVHLH-QHCPKHFHSA-N 457.933 2.883 30 10 JFEE C=CCOc1ccc(CC(=O)N2CCC(n3nncc3I)CC2)cc1 1470128893 MNBKWGOXTRJCPE-UHFFFAOYSA-N 452.296 2.854 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@@H](C(=O)OC)c2ccccc21 1471620513 GPFDCAYGURAHII-AQNXPRMDSA-N 469.563 2.802 30 10 JFEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CCCCC1 1503384011 BSSBXEWQXUGNTJ-UHFFFAOYSA-N 499.685 2.941 30 10 JFEE N#CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1505319622 DGMOABPWLGSHMO-UHFFFAOYSA-N 469.347 2.601 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507524587 WMMSYLASQRURHT-QWHCGFSZSA-N 472.434 2.509 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507563903 KPFJSSOGNYBQGD-LJQANCHMSA-N 479.647 2.819 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507625785 LCJTYROCIVMCAR-MJGOQNOKSA-N 474.558 2.531 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507626759 BSQVXUOBPIEMLP-SIKLNZKXSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1507631553 QPZWINYLGDBQNM-FQEVSTJZSA-N 480.594 2.507 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1507635763 VDUGQCDGHBJHBZ-FQEVSTJZSA-N 455.609 2.617 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1507661311 RSLIJQPFDSSQJN-MHZLTWQESA-N 477.609 2.726 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOc2cccc(C)c2)CC1 1507739462 IAQLCCZNRMIRPG-UHFFFAOYSA-N 458.566 2.617 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)OC)CC1 1507744868 PUULZDRUEDYUEN-UHFFFAOYSA-N 452.378 2.792 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1507752531 ADBGSYZYYDVXJO-UHFFFAOYSA-N 463.611 2.668 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1507791425 LYOASRDRACBMDC-CGXNFDGLSA-N 474.650 2.919 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507848584 YYBQNBIPSHMUIO-LJQANCHMSA-N 484.630 2.912 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCS(=O)(=O)C1 1507996852 KTQGREYAUNQZBK-NRFANRHFSA-N 467.595 2.900 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1508008244 LZMJSYDDHAQJRA-OAHLLOKOSA-N 467.020 2.984 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1508018694 XYLXZUUMQXZESK-BVZFJXPGSA-N 464.570 2.783 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C)C1=O 1508019888 IOXOKXVHQNMQMC-RUZDIDTESA-N 459.554 2.639 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCc2ccco2)C1 1508107577 AVVZKEYHMVDCJA-NRFANRHFSA-N 478.553 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1508144799 HDVAOSZFFILENH-KRWDZBQOSA-N 469.405 2.782 30 10 JFEE COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cc1Cl 1518289016 BYTQQUIXEDPMHP-HNNXBMFYSA-N 472.958 2.709 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCn1cc(CO)nn1 1539030743 AVIPYNIRWIGMHZ-AWEZNQCLSA-N 464.357 2.796 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCN(c2ccccc2F)C1 1539232613 JWCTVYWTBVOJCC-LJQANCHMSA-N 450.562 2.935 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(COC)c1 1539266425 QMNWKRMBWAWPSW-UHFFFAOYSA-N 455.566 2.720 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539435789 ATTMBXQAIRPOQA-UHFFFAOYSA-N 454.575 2.576 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[C@H]2COCCO2)CC1 1539437892 JDRGYHGWOYWHGJ-IBGZPJMESA-N 474.403 2.577 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1CCS(=O)(=O)NC 1539562704 BFTSIMCXRCWZCV-JOCHJYFZSA-N 480.034 2.793 30 10 JFEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(COC)CC1 1539587165 XDASUQKTKTUYIB-UHFFFAOYSA-N 457.336 2.612 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1539758921 UUTSBCJEFPBEPO-HXUWFJFHSA-N 481.601 2.552 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539778401 AIKCKQVNHHVHCZ-OAHLLOKOSA-N 491.781 2.992 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1)c1ccccc1 1539947490 KGSFKSNEDHWQQU-RBUKOAKNSA-N 481.569 2.816 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(Br)cn1 1540052144 YOPZRLUABMLPIM-UHFFFAOYSA-N 493.435 2.828 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(=O)NC1CCCCC1 1540127456 FAYDXQWHCYIDCS-UHFFFAOYSA-N 475.597 2.914 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1540868524 INZWIWFTNCVYQP-MRXNPFEDSA-N 457.579 2.705 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540920235 RUTJLHODNKZQAW-MRXNPFEDSA-N 457.629 2.916 30 10 JFEE Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1542976956 AVDQUSYWUREAJW-GOSISDBHSA-N 462.606 2.839 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2n[nH]c3cnc(Br)cc23)ccc1F 1544525502 UHVNFKFCQGVGQO-UHFFFAOYSA-N 454.281 2.576 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OCC(F)(F)F)cc2)CCOC1 1547918620 GCFCJJRQBBKUNP-WIYYLYMNSA-N 481.475 2.648 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CSCCS1 1548307654 CUQAQWFTHQBGFQ-KRWDZBQOSA-N 451.643 2.536 30 10 JFEE CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CC#N)CC1 1548313708 GDKOPTNMCSQYHV-UHFFFAOYSA-N 477.587 2.536 30 10 JFEE CCCNC(=O)N1C[C@@H](C(=O)NCCOC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375945 ADFBZDIUYVOYGD-FQEVSTJZSA-N 495.546 2.978 30 10 JFEE CCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NC1CC1 1548378148 XWOFQTXZLJMJFU-FQEVSTJZSA-N 478.515 2.937 30 10 JFEE COCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1555217689 CYPOSCDSDWLWLY-QGZVFWFLSA-N 465.558 2.637 30 10 JFEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C1=O 1556383481 RWCBGYPLAVEAJS-OAQYLSRUSA-N 455.536 2.549 30 10 JFEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 1568490138 FMSVYHKWWOVWNU-KRWDZBQOSA-N 453.351 2.663 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)n1 1586564345 DBJMIWWLASABAH-UHFFFAOYSA-N 458.522 2.989 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](F)C2)c1 1587683370 IQTDSVNQWNMZFG-MOPGFXCFSA-N 452.534 2.709 30 10 JFEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1587838015 NCQXKDQWIXCUKB-UHFFFAOYSA-N 455.010 2.969 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1588041138 UYVROLICSNAUAZ-QUCCMNQESA-N 497.621 2.870 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588045960 UTBLGSNVJKTCOZ-GOSISDBHSA-N 462.019 2.710 30 10 JFEE C#CCN(c1nnc(CC)n1CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1588059848 WGUIFADYEGEBIF-INIZCTEOSA-N 456.490 2.609 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1588069315 LJDFXMGKJARXND-NRFANRHFSA-N 485.654 2.667 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN1CCN(CC)CC1 1588093760 PIVYQCVAWBXNKT-UHFFFAOYSA-N 472.435 2.526 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1588219381 RWQWCYQXNXTAOK-SANMLTNESA-N 458.566 2.860 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1588955309 VGQUKLJUOFFNOD-UHFFFAOYSA-N 451.571 2.652 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1588993901 OGYSHKIOJQHOMY-MRXNPFEDSA-N 492.403 2.682 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1594807611 UJOZJDIWSLVMJH-OTWHNJEPSA-N 476.622 2.952 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1594997681 KGTQOPLDFZODLK-SFHVURJKSA-N 455.481 2.751 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1595303488 UEBPISNEAPKRHS-CQSZACIVSA-N 499.424 2.822 30 10 JFEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1595319217 GNMRWCWKIZXUMK-YLJYHZDGSA-N 496.033 2.888 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1595319336 LXFSYMNFMPFYIU-MRXNPFEDSA-N 451.506 2.564 30 10 JFEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1595335705 ZBOMEJCVWKKYNN-PZJWPPBQSA-N 452.603 2.957 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595477589 WIXXTBDBJDLPST-MAUKXSAKSA-N 483.491 2.887 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@H](SC)C1 1595488694 ANVRCYCQJPUCNG-KRWDZBQOSA-N 491.687 2.571 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595804506 AOEUIVPUTXVZAK-GOSISDBHSA-N 474.562 2.684 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595871497 SOYBSRPEOAREON-ZACQAIPSSA-N 464.636 2.888 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1613121180 HUYDORFOKJERBU-BVZFJXPGSA-N 468.602 2.878 30 10 JFEE Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)C(C)(C)C 1618454811 DOONXQUWYRPHGP-HYHKQLJDSA-N 452.588 2.834 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1619537244 HOYOTHBRDUTSJN-SZVBFZGTSA-N 460.966 2.509 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCC(=O)NC2CC2)c1 1620348738 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DRMMQVYXVWDYJS-UHFFFAOYSA-N 492.271 2.611 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2([S@@](C)=O)CCC2)CC1 1690113435 JPIYOQWLGLHBRO-GDLZYMKVSA-N 476.444 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nccc(C(F)F)n2)CC1 1690152624 RTBFXOIOAMVPCJ-UHFFFAOYSA-N 495.534 2.907 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)C(C)C)CC1 1690154651 VSARWNJITDOGTE-RUZDIDTESA-N 485.654 2.952 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690168014 TXYKTQCGUXBFEB-SFHVURJKSA-N 479.610 2.718 30 10 JFEE C=C(Br)Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690233794 RLFLZEVQXKRXRV-LRAJWGHMSA-N 497.438 2.920 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690320663 ZIOWKBOQQUOLFI-MSOLQXFVSA-N 485.651 2.812 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1690485194 NCEUWKOUYRVNGI-NRFANRHFSA-N 458.628 2.968 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1690639375 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C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566227 ZZHPGMKPZNYRGR-OALUTQOASA-N 461.607 2.687 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cc(C)nn1C 1705582281 XWOZDCBCFMLCLP-IBGZPJMESA-N 451.575 2.556 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1705632701 ZHMVARVDGZLTIA-OALUTQOASA-N 485.032 2.820 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cscc2C)CC1 1705646515 GUNMMYKHZRWMHY-UHFFFAOYSA-N 497.646 2.733 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1705698736 XYHSXTFTJLRFPH-AUFAKCASSA-N 494.706 2.570 30 10 JFEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1705734478 QGEXLDIGVVYHRZ-UHFFFAOYSA-N 482.610 2.585 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705805477 IARASCFYKNZAJP-AABGKKOBSA-N 451.637 2.984 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1706079040 CBTKTBRFAMWOTR-SFHVURJKSA-N 453.510 2.954 30 10 JFEE Cc1nc(CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)cs1 1707773354 BKMGGHWFVJTCAJ-SFHVURJKSA-N 480.642 2.766 30 10 JFEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1709453853 HWKSPAGGVBGFCJ-XMMPIXPASA-N 464.574 2.788 30 10 JFEE COC[C@H](C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1712131494 BWPGXYNHQVHMKC-UKRRQHHQSA-N 450.337 2.727 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCc2nccn2C1 1722277331 LYBUKQCACJOGTH-SJORKVTESA-N 450.543 2.888 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)N1CCSCC1 1722281140 MCEYFCWTEIOVOP-OAHLLOKOSA-N 498.472 2.544 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CCc2ccccc2)C1 1722283269 HQWUEYZJGNDJEW-IRLDBZIGSA-N 457.582 2.948 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)N2CCCCC2)c1 1722308876 HNCWTVQSJYCAKJ-KNQAVFIVSA-N 477.613 2.550 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722372312 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C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC(C)C)nc2)C1 1286799144 RWBPLWOUYPYHAC-IBGZPJMESA-N 463.542 2.937 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 1286808740 NGTFUEPSVLJJRM-VSKRKVRLSA-N 452.603 2.876 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCC2)CC1 1291832401 HKZDHMSBEZBQEK-FQEVSTJZSA-N 479.629 2.670 30 10 JFEE CCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1293820592 BZEMRDOMJRJQAX-CVDCTZTESA-N 457.600 2.772 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(I)c2)c1 1297528965 YVTOMANWAJOMPG-UHFFFAOYSA-N 454.289 2.763 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCC(C)CC2)cc(OC)c1OC 1299856593 BHNRNTOLFJVNGD-AZUAARDMSA-N 484.601 2.820 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCC(O)CC1 1300307323 DSQCURPTEYTNMF-IBGZPJMESA-N 474.650 2.697 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](CC)N2CCCC2)c1 1300334226 IWVRSQDNHBQFGU-IFMALSPDSA-N 450.587 2.713 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1300364230 JKEQWQSUHDZIJU-CTNGQTDRSA-N 475.590 2.548 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1300365524 YKIXIHRJDFFRCO-WOJBJXKFSA-N 484.626 2.542 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1300417351 SUHPOKGRKRHECS-UHFFFAOYSA-N 452.544 2.677 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300488012 AALZLEAAXRSKBR-SIXWZSSISA-N 466.966 2.789 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1OCC(F)F 1300591053 KIFNTNBCENLNEX-UHFFFAOYSA-N 453.497 2.690 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOCC2(C)C)CC1 1300691186 ZAAYETPZKJHPMX-UHFFFAOYSA-N 460.985 2.604 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1300864079 XBYCENJFDHPYKV-MSOLQXFVSA-N 457.579 2.647 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(C)(=O)=O 1300870175 QVHVARUEXCPAFF-YOEHRIQHSA-N 486.436 2.508 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300944714 GUYDNZDWXYFXKI-UHFFFAOYSA-N 451.531 2.515 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1300991197 LIBBQRSHHOWTOF-NRFANRHFSA-N 466.586 2.529 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301151275 KXXKAQAPDZMAJS-ROUUACIJSA-N 462.620 2.933 30 10 JFEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301186477 ZZPCDZMAOFBPBS-QGZVFWFLSA-N 485.614 2.716 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301508176 FVZZVGGAJLQJAF-LJQANCHMSA-N 456.547 2.653 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301528512 AEOYLNKQDBSNOW-UYAOXDASSA-N 466.586 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C2CCOCC2)C1 1301575962 NUTXSFYBBLPIMT-INIZCTEOSA-N 498.447 2.889 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1301611537 DQRHEBICHUHKDV-AZUAARDMSA-N 478.640 2.686 30 10 JFEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H]2CCC[C@H](O)C2)c1 1302981977 CIIXAAZJRQDHNO-NEWSRXKRSA-N 476.503 2.873 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCc2ccc(S(C)(=O)=O)cc2)n1 1304750773 CZEPCQLMKFTKAW-UHFFFAOYSA-N 481.626 2.916 30 10 JFEE CCN1CCN(C(=O)CC2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)COC)CC2)CC1 1313923100 HOJNFTOAMUZWAZ-NRFANRHFSA-N 493.656 2.870 30 10 JFEE COc1ccc(OC(F)F)c(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)c1 1315518290 BPCDPDPIBKMOLI-UHFFFAOYSA-N 460.485 2.912 30 10 JFEE C=C[C@@H](CC)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1348382180 XQTPEDCBDRUZLK-ZWKOTPCHSA-N 451.589 2.839 30 10 JFEE N#Cc1ccc(-n2nccc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 1353622965 DUTOCJMYQCECIU-UHFFFAOYSA-N 453.499 2.922 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358957730 ZFENKFSCNMFXCH-ACRUOGEOSA-N 472.611 2.698 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1358959401 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C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507632801 ASZOIBYAHBXWHK-OAQYLSRUSA-N 478.062 2.879 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1507633611 UENVFTFQJMOTPW-ICSRJNTNSA-N 494.564 2.991 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(CC(C)C)c1C 1507660704 CUOZUGIEQVRZNW-VWLOTQADSA-N 452.603 2.991 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 1507692418 XVBLCWLVNHFFBO-IBGZPJMESA-N 488.633 2.695 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1507702762 XIFTWGGILJSXMH-GOSISDBHSA-N 473.599 2.967 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCN2CCCC2)CC1 1507722661 DIKDKPQRRMEHHD-UHFFFAOYSA-N 457.420 2.949 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1507724088 GJSHLDPFERDOFD-UHFFFAOYSA-N 492.628 2.575 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507732892 UWQPOROYYUZVKQ-FQEVSTJZSA-N 498.628 2.876 30 10 JFEE 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455.588 2.720 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cc(OC)ccc1OC 1589150794 LICIJNCVTVZCDH-UZUQRXQVSA-N 475.615 2.530 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2OC)CC1 1589481658 BNZWPXRVGVPTOP-GMAHTHKFSA-N 482.629 2.728 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1589559725 UGOZVDUSXLBZJP-KNQAVFIVSA-N 455.559 2.747 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1593722490 RJBVSHQTACBBMO-GOSISDBHSA-N 462.572 2.670 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1593741814 XZEMJYHQEJTKRA-OALUTQOASA-N 460.579 2.714 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1594713725 KZLOYKCGIBLHDZ-OAHLLOKOSA-N 499.563 2.709 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1595218389 JBSKJZQXJOEJMD-FDDCHVKYSA-N 463.579 2.570 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1595516205 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491.539 2.823 30 10 JFEE C=C(C)COCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690320310 PRZQVLDEULCHTL-BGYRXZFFSA-N 476.622 2.700 30 10 JFEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690493971 YIZOYQSVMGZKRL-UHFFFAOYSA-N 451.568 2.823 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1690717972 WYXQYGLHZSCJFI-HZPDHXFCSA-N 496.655 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690719745 SDCLNLSDBULSOB-SFHVURJKSA-N 499.559 2.613 30 10 JFEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1693549632 FSCMYEXRZWRRDG-YLJYHZDGSA-N 479.610 2.760 30 10 JFEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1695229275 HUNXCXJRRSIAEY-UHFFFAOYSA-N 478.557 2.586 30 10 JFEE CCNC(=O)C1(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(C#N)c2)CCC1 1695919206 CZPXFUIHMPSZCZ-UHFFFAOYSA-N 460.586 2.954 30 10 JFEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Cl)cn1 1696822030 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C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C/C=C/c2ccccc2)CC1 1740701230 ZARDKMCDISVUEC-JLHYYAGUSA-N 462.598 2.876 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1740782793 PWBZCYQGJIWOEC-VXKWHMMOSA-N 484.626 2.518 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740790853 OMUVVSSJODPWOK-UHFFFAOYSA-N 450.543 2.544 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1740851183 XHMMFRHOFWXGFP-QGZVFWFLSA-N 474.631 2.848 30 10 JFEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNC(C)=O)CC1 1740887038 ADEMKGIJEWBODA-JOCHJYFZSA-N 455.559 2.736 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740888100 JUFVFDZZAWIELR-OALUTQOASA-N 497.662 2.956 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1740913496 DAHNWOCLRXLNGT-QGZVFWFLSA-N 488.639 2.844 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1CCOC[C@@H]1OC 1740920043 BDLWIUSNCRZXRX-CTNGQTDRSA-N 457.550 2.784 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1740948416 AHDPUIUUGZUZNU-INIZCTEOSA-N 470.603 2.845 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(CC)CC)CC1 1740957451 ONFHLVANJMEIMM-UHFFFAOYSA-N 462.602 2.744 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1740976265 IWNMOAKGJCLJQX-UYAOXDASSA-N 452.534 2.548 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CC(C)C)C1 1740987787 MKKZSHBXIIPMEY-SFHVURJKSA-N 480.656 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740994953 ZDPXTJJNGVIVIG-AEFFLSMTSA-N 452.552 2.601 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1N1CCOCC1 1741515926 ANNSNIIUEVAPSY-UHFFFAOYSA-N 463.590 2.725 30 10 JFEE C[C@@H]1CCC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1743029365 HGVMGFSSZOMRLB-TZIWHRDSSA-N 466.586 2.993 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCCC)CC1 1748744978 IRAAZRCRJPAQFZ-UHFFFAOYSA-N 475.597 2.738 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748809429 MXMSEBPJMWOOCM-OKZBNKHCSA-N 463.003 2.898 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1749019064 JRBNVOFJXAUXSH-OAQYLSRUSA-N 478.641 2.922 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749027032 VLXRRMKSVAZWDC-UHFFFAOYSA-N 485.017 2.794 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 1749051897 PZNBCMWKMRXXJS-OAQYLSRUSA-N 464.492 2.987 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(F)cn2)CC1 1749119219 OZHNMOPUIVDXBK-DXIQSLLYSA-N 474.581 2.844 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@H](C)C2)CC1 1749342099 BNVOYFATQDJSCD-RBBKRZOGSA-N 494.706 2.526 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(F)cc2)C1 1749711923 DKIURCLCCIAFBI-MBOZVWFJSA-N 464.563 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCCOCC1 1749725414 TYNQTVFFCKSVSJ-UHFFFAOYSA-N 455.378 2.535 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Cn1c(=O)c2c(nc(NN=Cc3ccccc3[N+](=O)[O-])n2C/C=C/c2ccccc2)n(C)c1=O 254522990 XVHCUQXBVRUHEY-OCTIJFNBSA-N 459.466 2.501 30 10 JFEE COc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCOCC3)C2=O)cc1 526694663 QDQPVUDKYWIKCA-UHFFFAOYSA-N 450.520 2.788 30 10 JFEE CCN1CCN(C2=C(Sc3nc(C)cc(C)c3C#N)C(=O)N(c3ccccc3C#N)C2=O)CC1 526696623 IKPHTHJWZUKSDG-UHFFFAOYSA-N 472.574 2.956 30 10 JFEE O=C(/C=C/c1ccc([N+](=O)[O-])s1)N[C@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 585844766 FUGJNNPTVKBAMT-NJSACDPFSA-N 456.480 2.955 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 745058735 OFLHQUUTNOQJEW-LJQANCHMSA-N 485.518 2.747 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(N)=O)ccc1Cl 758743195 AZRPFWRFJHDJRB-LBPRGKRZSA-N 456.351 2.978 30 10 JFEE C#CC[C@@]1(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1142327968 DHEFZDSUXSDYMX-SANMLTNESA-N 455.599 2.923 30 10 JFEE C#CC[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC 1214257731 KKHIWIDMVKCBTF-GOSISDBHSA-N 450.605 2.867 30 10 JFEE C[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)N1CCN(c2ccccc2)CC1 1216704678 CTSAQNKMSFIQRI-OALUTQOASA-N 455.584 2.705 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCn2cccn2)c1 1286310263 CEZXDYBSXPKUKB-UHFFFAOYSA-N 454.538 2.607 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286386173 VXPCVWZQGWWYMB-WMZOPIPTSA-N 479.002 2.613 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286396433 PRIMMVCZMNFXMT-RTWAWAEBSA-N 490.601 2.972 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc2c(cc1OC(F)F)OCO2 1286432839 ZRAJOBMHMFQXJL-UHFFFAOYSA-N 482.491 2.981 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC(=O)N(C)C)CC1 1286471473 KOZKIMYDPOFDOL-LJQANCHMSA-N 473.021 2.922 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1286537129 WVJNJITVFMVACX-UHFFFAOYSA-N 494.438 2.735 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286539607 ASBYFDJORBJGCE-UHFFFAOYSA-N 499.417 2.552 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1286740871 YPQDARYFSNLNNX-JOCHJYFZSA-N 480.613 2.860 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2Cl)C1 1286799338 UXUMGMBNGSVLDK-INIZCTEOSA-N 469.933 2.834 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1286813690 ZWHFWABPZPGHTI-RBBKRZOGSA-N 489.642 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](COC)C1 1286817845 YPLAVFWXTVKBDU-QGZVFWFLSA-N 462.572 2.528 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1286819324 GXMIWUUIHZIWAR-IRXDYDNUSA-N 470.599 2.510 30 10 JFEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1295538365 DODHDDLRUAGWGI-UHFFFAOYSA-N 468.602 2.846 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](C)OC2(CCOCC2)C1 1297400075 HDTHXLWLCXCMPZ-AWEZNQCLSA-N 453.333 2.895 30 10 JFEE CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1297687848 GVSZUCCLYVLBCD-QFIPXVFZSA-N 458.588 2.712 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1299376218 FIJPHVFIYLJFOH-SJLPKXTDSA-N 462.476 2.700 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1300488728 VHYOWRLPXSMLOL-KRWDZBQOSA-N 451.543 2.736 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300505294 ZFZYKZAJLJVNEW-HOCLYGCPSA-N 487.409 2.826 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNc1ccccn1 1300574807 KYKIGPRNTHLZSP-UHFFFAOYSA-N 476.610 2.598 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1300692897 OGUUTKGYHKBTFC-JOCHJYFZSA-N 463.586 2.733 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1300710054 QLJQNNVEKCRFAU-FGZHOGPDSA-N 498.697 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2csc([C@H](C)OC)n2)CC1 1300729228 RIKCNCXWYAKOJZ-HNNXBMFYSA-N 499.666 2.812 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300742322 FAMUOTWCGUPMQA-ZDUSSCGKSA-N 481.445 2.692 30 10 JFEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNC(C)=O)C1 1300762530 JSUNAYSIFHBJRE-NQIIRXRSSA-N 455.584 2.510 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ncccn2)CC1 1300769932 MHOWWQIRCICNIV-UHFFFAOYSA-N 470.002 2.994 30 10 JFEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300829782 AMFGITKOTABAKL-ZDUSSCGKSA-N 466.384 2.757 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1300896725 IYMJETQRXAGXBP-XBJMDHIQSA-N 496.674 2.703 30 10 JFEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301185908 NOJRPNLRONYAHR-AUSIDOKSSA-N 451.619 2.994 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301246415 UBMWSJKRDQNKQO-WIYYLYMNSA-N 488.036 2.575 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnn(C)c1 1301424178 HZYRBGRYZYQFCO-UHFFFAOYSA-N 459.595 2.813 30 10 JFEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301433210 NAISRNZVIPGMGG-INIZCTEOSA-N 451.568 2.994 30 10 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JFEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1358910184 GXTZQRASESMVAK-UHFFFAOYSA-N 452.584 2.948 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358958457 OLDMOBLQIWMSGO-MRXNPFEDSA-N 493.561 2.986 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358958543 QMMGEMFTWRAACX-OAHLLOKOSA-N 499.406 2.634 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358980930 PEGYAIAEDHZXMU-UHFFFAOYSA-N 474.634 2.712 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1359033697 MMXFNQMHWPWYRP-HXUWFJFHSA-N 465.602 2.742 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1359041932 MPYBUDMJBRDXQR-QFIPXVFZSA-N 466.630 2.896 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1359046445 RWBPSZOTJKJXTR-DEOSSOPVSA-N 455.628 2.837 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359055648 KXLAPTKIIJSSMU-ROUUACIJSA-N 476.647 2.679 30 10 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489.502 2.756 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359305726 LIRIIYOYAFXXJA-INIZCTEOSA-N 498.575 2.954 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)C(C)(C)C)C1 1359315667 ZOZPWOIGXJHKBJ-SFHVURJKSA-N 463.560 2.848 30 10 JFEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccncc3OC[C@@H]3CCOC3)CC2=O)cc1Cl 1436558387 BVTIXCYYYBBZOH-CRAIPNDOSA-N 454.914 2.691 30 10 JFEE C#CCC1(O)CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 1455183374 LKEFMPLVCWANRH-IBGZPJMESA-N 458.559 2.732 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)s1 1456608288 OPKTYEALPMODJZ-OAHLLOKOSA-N 457.618 2.518 30 10 JFEE CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCN(c2cc(C#N)ccn2)CC1 1462038038 BKLWJMGCVZZZGK-OAHLLOKOSA-N 458.360 2.551 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1 1472188653 YIKGEJPKHXMHIY-AEFFLSMTSA-N 451.589 2.774 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cc(O)ccc3Cl)nnc12 1472613654 FVQHQRBSMXBPNQ-UHFFFAOYSA-N 455.927 2.998 30 10 JFEE C#Cc1cccc(CNC(=O)NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)c1 1478521208 UEGFVSTYPFXUTL-SFHVURJKSA-N 454.493 2.951 30 10 JFEE C[C@@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1494517475 DULCMQXCVBDJQC-QRWLVFNGSA-N 480.386 2.979 30 10 JFEE Cn1ncc(CCCn2c(-c3ccc(Br)cc3Cl)nnc2N2CCO[C@H](C#N)C2)n1 1503690832 CGSAIOHGKAXPLL-OAHLLOKOSA-N 491.781 2.851 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCS2(=O)=O)c1 1507552585 QQJDFWDNOSQYHQ-NRFANRHFSA-N 497.646 2.954 30 10 JFEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507565339 CLPUAMGKRDCWJW-IBGZPJMESA-N 468.627 2.919 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507626979 HSUAOMNJPFEGOX-QFIPXVFZSA-N 485.654 2.702 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1507740746 YBIPKAFZOZBWES-UHFFFAOYSA-N 476.625 2.775 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCCO)CC1 1507751999 TUWWKRKRUGDLBK-HXUWFJFHSA-N 493.674 2.942 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1507752446 XRABKLQUZJHHIK-CQSZACIVSA-N 471.505 2.920 30 10 JFEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507815617 CBQCHBZPWOSPSK-DPLHUUCSSA-N 495.690 2.925 30 10 JFEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507959264 KSCQQAOWDVCKQE-JOCHJYFZSA-N 463.586 2.992 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1507973221 WBEHOIYGYYLEQC-MOPGFXCFSA-N 460.648 2.938 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1508075887 BTCYPJPVQGDHHX-UHFFFAOYSA-N 454.556 2.609 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1508105712 RPHLPZGYHVNXRA-UQBPGWFLSA-N 469.586 2.599 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508135036 DJEODKCCLDLEAI-UHFFFAOYSA-N 475.615 2.911 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1508148897 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C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1539977579 PRAQXKGHITZXIW-LJQANCHMSA-N 487.630 2.722 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1540151322 GHNKCJWNZGETSX-NJDAHSKKSA-N 458.607 2.859 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1540857977 YTWILMXGOSBWKJ-ICSRJNTNSA-N 490.649 2.946 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540864539 CZARLLHXGMKJNR-UHFFFAOYSA-N 450.543 2.735 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1540869344 JXYFWXMEIMGXAT-HXUWFJFHSA-N 454.481 2.807 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](CCC)OC)C1 1540889987 XTWZADFUPSGNOK-QZTJIDSGSA-N 452.559 2.788 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(C(=O)OC)CC2)C1 1540893952 NSSOPQDIEWTIFX-IBGZPJMESA-N 460.604 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1540907206 OOBDVUKVTXGNPG-LJQANCHMSA-N 489.642 2.557 30 10 JFEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)NC(=O)OC(C)(C)C 1545968201 AKBYQZSEIFIDJP-OALUTQOASA-N 481.557 2.761 30 10 JFEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1546825739 FUVNJVLAYRHZGF-IFMALSPDSA-N 479.629 2.670 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3c(Br)cccc3C2)cc1 1556454405 BTHYBPZLIWJTJI-UHFFFAOYSA-N 451.342 2.948 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3OCC)C[C@H]2C)cc1 1568006696 XLLYNJHRMNIGOR-LJQANCHMSA-N 457.596 2.896 30 10 JFEE C=CCC1(C(=O)N2CCC(N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CC2)CCOCC1 1587620954 WULSJEVANZQBLX-MOPGFXCFSA-N 463.575 2.790 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1588058733 BHECKRXAOPOPNY-IUKKYPGJSA-N 490.576 2.755 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588384785 BCWIYDZDFOAIFH-IBGZPJMESA-N 469.542 2.544 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)n1 1588722525 CMNPURWICMULHX-UHFFFAOYSA-N 466.505 2.812 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cccn(CC)c2=O)CC1 1588752224 QPVWSTOAPLXYRA-IBGZPJMESA-N 464.545 2.542 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1588762187 FNNRZWCNFVKRJC-HOTGVXAUSA-N 461.408 2.995 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)N[C@@H](C)CC)CC1 1588762342 HBJZBYILKZVQCJ-INIZCTEOSA-N 491.409 2.907 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(NC(=O)C(C)C)CC1 1589305322 QIBDGXMWTYIUQJ-HNNXBMFYSA-N 458.401 2.652 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1589548390 ZARRORHFNPTNGF-YRPNKDGESA-N 477.606 2.793 30 10 JFEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593666548 GFAIEBMJYZPELB-OAQYLSRUSA-N 452.603 2.793 30 10 JFEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOC(C)(C)C1 1593747322 ULBASUZPUUMDLU-JOCHJYFZSA-N 471.602 2.930 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1594192938 MVWTUCGYDFRKTL-JOCHJYFZSA-N 454.637 2.934 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)cc1 1595614179 PFVVDSUVCBPBGF-CTNGQTDRSA-N 480.613 2.973 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1595785323 XCDHTBKXCFDSHP-APWZRJJASA-N 459.597 2.969 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595804575 CSYFIVBBNIUTPL-WZONZLPQSA-N 495.045 2.897 30 10 JFEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1595844710 HPNANRUAEGJAHX-MRXNPFEDSA-N 469.608 2.558 30 10 JFEE CC(C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1597846750 FKCGXUGXSYJODT-UYAOXDASSA-N 453.591 2.561 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1611313519 CBUASZPOMDTHFQ-SJLPKXTDSA-N 476.507 2.518 30 10 JFEE C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)N(C)Cc1ccccc1 1611379687 FALVTAXKUZPDAM-PZJWPPBQSA-N 474.569 2.565 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1615916704 CCFUTSPASUZWCH-KRWDZBQOSA-N 491.390 2.511 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)SC 1619899578 BRCMHSFUQVZKBL-LJQANCHMSA-N 477.656 2.846 30 10 JFEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC2CCCCCC2)CC1 1620169779 GRCOOLFAFYZEIK-UHFFFAOYSA-N 472.615 2.638 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1 1626057233 UIDUIZJZRADJQW-MRXNPFEDSA-N 455.305 2.916 30 10 JFEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@H]1CO 1634302576 CAKTXCIMUWWMNL-XFAGBWLFSA-N 450.535 2.814 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)OCC 1643589656 MCMVPVXCHFGUMR-GOSISDBHSA-N 457.980 2.609 30 10 JFEE C#CCOc1cccc(Cl)c1CNCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1656952753 LYERTPZVUJIMJS-MRXNPFEDSA-N 456.992 2.866 30 10 JFEE C=C(Cl)C[C@H](NS(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OCC 1664947963 UOIHFIHZGSBAKH-ROUUACIJSA-N 458.964 2.781 30 10 JFEE 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CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c1 16210512 IMXFJRBOJXUGNN-UHFFFAOYSA-N 498.536 2.868 30 10 JFEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cc1OC 20292714 SWUDBWYWKHJGPB-LSHDLFTRSA-N 461.935 2.839 30 10 JFEE COc1cc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1OC(F)F 35684521 QJRXPMWSAJABJR-CLFYSBASSA-N 477.489 2.715 30 10 JFEE CNC(=O)[C@@H]1CC(=O)N(NCCc2ccc(OC)c(OC)c2)/C(=N\c2ccc(OC)cc2)S1 59085051 PKCVUSXXJJAUDD-FXFSXJFASA-N 472.567 2.527 30 10 JFEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(Br)cc2)/C1=C(/O)c1cccs1 102561805 HURLQWGYDHNPOE-CFBLSMTOSA-N 452.326 2.941 30 10 JFEE COc1ccccc1C=NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1 252624819 PVVWVDYBQFMUIC-UHFFFAOYSA-N 450.459 2.815 30 10 JFEE O=C(ON1CCC[C@@H]1c1cccc(F)c1)[C@@H](O)[C@@H](O)C(=O)ON1CCC[C@@H]1c1cccc(F)c1 256004471 UKTGLIVOINFSPO-YSFYHYPLSA-N 476.476 2.577 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 515004932 JNGOTKKNHOILMF-UHFFFAOYSA-N 453.930 2.846 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 524609709 BFHNVBNOXMXKBD-OALUTQOASA-N 489.395 2.893 30 10 JFEE CON[N+](=O)CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 585088950 PWHMSWKFLWTSTN-ORAYPTAESA-N 488.373 2.759 30 10 JFEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729669356 MHZCNPOIYYDAQK-UHFFFAOYSA-N 487.560 2.556 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@@H](C)[C@H]1C(=O)O 757299623 PXXLKJDTXNZZLK-GMWOSMDTSA-N 462.502 2.618 30 10 JFEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCc2cc(OC)ccc2OC)C1=O 920167828 FDRVRZPLOCQNQT-OAQYLSRUSA-N 484.578 2.973 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 922142781 HLBAUEGHGBXFMZ-ZWKOTPCHSA-N 473.551 2.549 30 10 JFEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc(F)cc3)n2N)cc1OC 1084075110 OJRUDLMZOTYSBI-UHFFFAOYSA-N 459.507 2.715 30 10 JFEE Nn1c(NN=Cc2ccccc2O)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 1084081726 KWDJFNGMARGNSN-UHFFFAOYSA-N 451.434 2.893 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 1224201163 DAGGGFMAXWWTLY-PMACEKPBSA-N 455.559 2.547 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCCCC1 1286285630 NWRPKEWCBXPWCT-GOSISDBHSA-N 457.648 2.961 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2CCN(CCC)CC2)c1 1286309956 PXJUMBHKDWSWEW-UHFFFAOYSA-N 474.613 2.857 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286390515 ALCSGRCVYKVCNP-ROUUACIJSA-N 481.663 2.654 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286416833 YUXWUEAPCAFMLA-NRFANRHFSA-N 475.515 2.892 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(CS(C)(=O)=O)c1 1286431506 XVTIWHLZYIRHMR-UHFFFAOYSA-N 486.601 2.572 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1286435935 NZPZJCKYKBKLIB-NRFANRHFSA-N 473.021 2.678 30 10 JFEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286449066 JGQIQQNYPZKGSX-HSZRJFAPSA-N 461.614 2.752 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2COc3ccccc3O2)n1 1286470078 PHKGTPKBANFXAA-HXUWFJFHSA-N 464.570 2.898 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1286478378 AEELTJGFFOUWLU-QFIPXVFZSA-N 496.612 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(COC(C)(C)C)on2)CC1 1286492540 IFNKVWQYUXCEPD-NRFANRHFSA-N 484.601 2.837 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286508811 WVCPGELTNJLPPR-UHFFFAOYSA-N 453.641 2.717 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1286603066 KWLSARJGKISYBY-UHFFFAOYSA-N 455.378 2.535 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286649384 NJDXJNGDSBHNMQ-FQEVSTJZSA-N 487.409 2.870 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286666384 JJDHUOMMDCIFON-UHFFFAOYSA-N 485.677 2.687 30 10 JFEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286758910 FNAASFUHNCPGIW-IBGZPJMESA-N 475.519 2.958 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1 1286787915 LTZSFHGDZNAIDT-LJQANCHMSA-N 460.586 2.952 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1286815056 KFUYWYNNTKAJJM-FOLVSLTJSA-N 454.394 2.871 30 10 JFEE CC(C)N1CCC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@H](C)C#N)C1 1286964578 CFCWLTSSBLSRMQ-MOPGFXCFSA-N 472.663 2.954 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1300425200 RJCUXLTWTMVSDT-PMACEKPBSA-N 453.591 2.940 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300488152 BDDUQTFBEBCNLG-UYAOXDASSA-N 487.626 2.827 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1300497351 AVGKONPHYZKSQO-UGKGYDQZSA-N 463.003 2.718 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)noc1C 1300650678 WVXDWHVKSLNTGQ-GOSISDBHSA-N 471.558 2.866 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1=CCCOC1 1300663411 AUMDHHZWMRRXRB-UHFFFAOYSA-N 462.554 2.669 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1300697371 BPDQPFBFNFNVHM-XMMPIXPASA-N 466.630 2.654 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1300700793 WTHRNWMCWBMVLU-NRFANRHFSA-N 450.587 2.714 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN(C)CC(F)(F)F)CC1 1300707833 LEEVKYWJISGMDR-UHFFFAOYSA-N 464.536 2.723 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1300952320 QQLSMZNVQBYEKD-WMZOPIPTSA-N 468.526 2.936 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1300971527 BHOUVCHFVDVQOY-VQIMIIECSA-N 484.022 2.712 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1300989188 MJBLLOBQWHJGBF-CYBMUJFWSA-N 479.550 2.885 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1301422227 CTBGFXNXUWEBQH-HKUYNNGSSA-N 459.595 2.963 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1301490666 CASNEYCZOUPQNZ-UHFFFAOYSA-N 479.972 2.648 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301491869 PLRRRXWSRGNWQI-UHFFFAOYSA-N 471.993 2.627 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301577547 LEDHSASJYNKSHK-DLBZAZTESA-N 494.459 2.981 30 10 JFEE CC[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1305830807 CDTRUTPXUMRWAN-CTNGQTDRSA-N 451.623 2.922 30 10 JFEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCO)Cc2ccc(Br)s2)n1 1314914174 BAQLOIPEWZZLOI-UHFFFAOYSA-N 499.398 2.816 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2cc(C)oc2C)c1 1315354550 HIJGUBYWLNNJPK-GBXCKJPGSA-N 467.526 2.809 30 10 JFEE COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)N2CCCC2)c1 1315546393 HOFFJLAQZNJNFQ-WMQCIHAUSA-N 451.575 2.813 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358952925 DFZBKCMMOWYOHL-LJQANCHMSA-N 451.493 2.806 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCN(C(C)=O)CC1 1358953024 IBUPIOYIEMMOML-UHFFFAOYSA-N 452.603 2.522 30 10 JFEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1358962201 MCUIRKAFCZLHLA-LJQANCHMSA-N 494.621 2.658 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@](C)(O)c1ccccc1 1358978488 ODWKKVMYMOCWBO-HHHXNRCGSA-N 469.593 2.823 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCN(C)C(=O)OC(C)(C)C 1358997457 UARGAVWFKDEJIW-UHFFFAOYSA-N 484.626 2.990 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2COCCO2)n1 1359027440 JUUXPQXVRWALTB-IBGZPJMESA-N 488.951 2.636 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359090038 TYOCOEFOZFCTJD-IKGGRYGDSA-N 471.396 2.685 30 10 JFEE C=C(C)Cn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125054 NYPBQKWELLITHY-HSALFYBXSA-N 460.623 2.926 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359184949 GQDWNSJEUZGMKW-IBGZPJMESA-N 457.575 2.906 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359305915 QPGPNNTWTNNKAW-FNZWTVRRSA-N 499.587 2.859 30 10 JFEE C=CCOc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1360572205 XNEORKCBCJPLER-UHFFFAOYSA-N 450.944 2.856 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1 1464061538 JNDQAIJQZUUSHV-UHFFFAOYSA-N 453.442 2.808 30 10 JFEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1503359463 GQBCUGJIFJCIIH-NRFANRHFSA-N 452.559 2.602 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCCC1 1504873289 DLBAVQASUDVZGP-UHFFFAOYSA-N 459.554 2.910 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2cccnc2OCC(F)F)c1 1507550843 QSIRTVUDPWSTFG-UHFFFAOYSA-N 454.481 2.984 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507629675 OIOOSKOMELKQAJ-HXUWFJFHSA-N 496.980 2.571 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CCCCC1 1507648582 PVZVIYXGMKIXFG-XMMPIXPASA-N 468.627 2.642 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc2c1OCO2 1507714304 MICFZIXDKJUZRS-KDURUIRLSA-N 483.569 2.912 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 1507719574 OWCGXRMMMPMKLN-DENIHFKCSA-N 451.562 2.899 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccccc2F)CC1 1507730916 YUUUGYRRJGLUFY-QFIPXVFZSA-N 498.603 2.724 30 10 JFEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1507750199 LWVXADHDWIITLQ-UHFFFAOYSA-N 482.635 2.608 30 10 JFEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(S(C)(=O)=O)CC1 1507840001 WZASTTDNEUKICR-UHFFFAOYSA-N 470.599 2.941 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)COC(=O)N2 1507926047 ABKKRGZTEYBOBW-UHFFFAOYSA-N 459.572 2.784 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507953798 IKNGAFLUUUYKBW-ZWKOTPCHSA-N 478.594 2.830 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1508019595 LTNIQQSJPABNDC-SFHVURJKSA-N 458.588 2.500 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1508075938 QTXJQGKLOCQDSY-AWEZNQCLSA-N 461.929 2.883 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(S(C)(=O)=O)CC2)C1 1508129871 FVDZOADXHLJRQR-IBGZPJMESA-N 460.600 2.832 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1508150047 YWWXDKYELLVIKI-SFHVURJKSA-N 469.007 2.973 30 10 JFEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1)N(C)C(=O)OC(C)(C)C 1509998441 ANFNWJWIXFWXHA-KRWDZBQOSA-N 459.595 2.900 30 10 JFEE Cc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)NC(C)C 1511263089 GDZLGPZKFCSDFB-IBGZPJMESA-N 473.585 2.545 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1515955359 GZDDEMUWVACSFE-UHFFFAOYSA-N 492.628 2.707 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(OCc4ccccc4)C3)CC2)cc1 1521403904 DPNLOPXGTIDHGJ-UHFFFAOYSA-N 453.564 2.823 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1539216806 XLCLWIRNQOULEI-CQSZACIVSA-N 480.413 2.772 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1539220368 RHDCESFGDPWJPU-LJQANCHMSA-N 459.616 2.726 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC(C)C)CC1 1539467533 UGOLRYAGIBORNZ-UHFFFAOYSA-N 480.613 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1539484153 DXLIXRWUUQBRLI-UHFFFAOYSA-N 484.689 2.866 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCN2CC)CC1 1539488512 AASWBAXVYKUGDW-OAQYLSRUSA-N 482.604 2.836 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1539722424 NLJXTIZWJIVPFB-IBGZPJMESA-N 454.575 2.797 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539750716 UOKNPUFBLUADLO-XMMPIXPASA-N 488.539 2.554 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539930833 DKBNSHRZTGRQFV-CPJSRVTESA-N 475.634 2.749 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1540126702 NBMBOUVJWQNIBU-UHFFFAOYSA-N 481.626 2.909 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc3ccccc3s2)CC1 1540862035 OXFXKPMOUWAWRU-UHFFFAOYSA-N 467.599 2.712 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540862424 BCBGZPADNIZNKW-ICSRJNTNSA-N 494.575 2.755 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1540870820 XTIPPSGPOOWNIA-LJQANCHMSA-N 476.622 2.558 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CCOC)CC1 1540899326 KJVPIYMNTVZURX-GOSISDBHSA-N 493.699 2.501 30 10 JFEE CC[C@@H](c1ccccc1)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)N(C)CC 1545756353 GGYOXOIKYCWHIJ-NRFANRHFSA-N 489.628 2.539 30 10 JFEE CCNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)N(C)C 1548379603 VPBSWWUYLVYHSO-SFHVURJKSA-N 451.493 2.913 30 10 JFEE Cc1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)n[nH]1 1548391332 CCFCLCQTHKLTHX-ZWKOTPCHSA-N 474.487 2.699 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)CCn3c(=O)oc4ccccc43)[C@@H](CO)C2)cc1C(F)(F)F 1548400536 ABSKOQDEXNBSGX-QGZVFWFLSA-N 474.439 2.585 30 10 JFEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C)c(C)s2)CC1 1555206026 CMWCIXLONJCMTB-UHFFFAOYSA-N 479.610 2.864 30 10 JFEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)(COC)CC2)CC1=O 1555573845 CUIAIOAEZXQBFL-HXUWFJFHSA-N 466.586 2.565 30 10 JFEE COc1cccc([C@H](CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)OC)c1 1585443918 AWEHBYSPMCHKET-PMACEKPBSA-N 459.568 2.652 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1587580269 OKIYZGOHLMHEGU-HFSMHLIXSA-N 457.600 2.616 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ncnn2C(C)(C)C)c1 1587692919 MLQOMVBDOJEGOZ-IBGZPJMESA-N 476.585 2.623 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1588016173 MLQVEZDYCMSJNP-JOCHJYFZSA-N 465.554 2.910 30 10 JFEE C#CCN(CC)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1588302020 JYAYPJKDWHSMLA-BJLQDIEVSA-N 454.575 2.768 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CCOCC2)CC1 1588898892 HDXICGLGOLCZCH-UHFFFAOYSA-N 490.608 2.616 30 10 JFEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589381372 BKTXVHFNKMCPMY-CYBMUJFWSA-N 450.362 2.958 30 10 JFEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCS(C)(=O)=O 1589442829 DPZXBPXDJIQQIW-UHFFFAOYSA-N 457.394 2.863 30 10 JFEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593763344 HIVWQXDZKBKSJK-VWLOTQADSA-N 482.585 2.573 30 10 JFEE C=C(Cl)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593932127 FJGWJYCVCXENED-NNMXDRDESA-N 454.015 2.618 30 10 JFEE C=CCCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1594661243 STHOPVMFJJGZIT-RUZDIDTESA-N 469.586 2.955 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCOC[C@H]1C)C(C)C 1595171277 SCSNEOVHAAFMPX-QUCCMNQESA-N 456.591 2.930 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595477593 WIXXTBDBJDLPST-YJBOKZPZSA-N 483.491 2.887 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCCc3c2cnn3C)cc1 1595608060 OWIKOOJIOVMXLV-DYESRHJHSA-N 499.641 2.749 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3sccc3c2)C1 1595672452 AYFKKEFQKIIQGT-MAUKXSAKSA-N 461.613 2.933 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc(Cl)cc1 1611696097 BWDCZVURFKIBQD-YWZLYKJASA-N 450.996 2.914 30 10 JFEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cc(Br)cn2)c1 1612247913 FKVYEENEDXPBBV-IBGZPJMESA-N 486.374 2.944 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3COC(=O)N[C@H]3CCOC3)n[nH]2)c1C 1623615651 PFKGIHLWSWCZAT-ROUUACIJSA-N 456.547 2.586 30 10 JFEE C=CCN(CC=C)[C@H](CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(C)C 1628249217 NJMNZGXFSUMOIX-OAQYLSRUSA-N 458.628 2.662 30 10 JFEE CC#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1632078163 MDCCKNITMFOKJK-KRWDZBQOSA-N 451.342 2.754 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CSCCN2CCN(c3cccc(OC)c3)CC2)c1 1641415510 QWRBLHZLACBJEY-UHFFFAOYSA-N 452.580 2.880 30 10 JFEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1C 1644450773 BGFLABDHIMSVIR-UHFFFAOYSA-N 455.515 2.797 30 10 JFEE C=C(Cl)C[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1664947763 RIANJEGWISGSBP-ZWKOTPCHSA-N 458.964 2.781 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)CC2)c1C#N 1677760880 GNMYWHVOBKAQOQ-HNNXBMFYSA-N 450.522 2.826 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1689866823 LGTPYYIZSOOTIN-PWIZWCRZSA-N 459.616 2.611 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1689898040 PLOQRVRDMARWLR-QFIPXVFZSA-N 470.643 2.898 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccnn1C)C1CC1 1689932179 SSGTXXBFYXRWMF-FQEVSTJZSA-N 469.590 2.902 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689986730 VXRPQXUQVXJQQC-GOSISDBHSA-N 464.035 2.956 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689996557 JVQWYNMXASLMSB-HNNXBMFYSA-N 490.479 2.549 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(F)(F)CO1 1690017972 PYUXDBLUJXBTJG-ROUUACIJSA-N 463.529 2.890 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CCNS(=O)(=O)c1ccc(C)s1 1690090876 AVDINQZPYMLOHC-UHFFFAOYSA-N 461.588 2.968 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCN(C)CCCOC)CC1 1690115288 ZWPWRXLRGCOXOX-UHFFFAOYSA-N 470.687 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCn2ccnc2C)CC1 1690152212 CBYYLYHYRLAWMK-UHFFFAOYSA-N 481.988 2.681 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCC)CC1 1690152685 UTOCZCFQCKIIFL-QHCPKHFHSA-N 489.624 2.569 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1690157728 NQHPMOIUTLAAAU-SFHVURJKSA-N 469.590 2.984 30 10 JFEE C#CCSCCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690166063 SUZAGTABKHUDCO-REWPJTCUSA-N 466.655 2.690 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)C)CC1 1690237857 BQZLYSHISAOUMP-IRLDBZIGSA-N 473.643 2.860 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690250334 FZGLQGKUOAZWER-ZJSXRUAMSA-N 487.670 2.905 30 10 JFEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690294530 KGZBUYZDWUGUEN-UHFFFAOYSA-N 491.434 2.842 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690321547 FNLDFARVQDKBIR-RXVVDRJESA-N 477.009 2.970 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2Br)CC1 1690363813 BVQHDOWCTXBYMY-CQSZACIVSA-N 454.394 2.856 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690471280 ZJVSFCZWXFAAHY-NRFANRHFSA-N 466.586 2.941 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1690621891 CHHJPHSCMLPSRB-SFHVURJKSA-N 477.606 2.607 30 10 JFEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695074006 HLMAWXORSDQEPO-AVRWGWEMSA-N 471.569 2.745 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705568629 RWGUTDQADHEIDN-ISKFKSNPSA-N 499.681 2.913 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705569058 CRXOEKLBBRBUFB-RBUKOAKNSA-N 461.657 2.668 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1705569781 JTHOOXQYOUIHNE-OAQYLSRUSA-N 469.611 2.644 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1705614301 DVSRHBVARNKDIL-LJQANCHMSA-N 469.590 2.555 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1c(CC)nn(C)c1OC 1705618825 WJHDXUXSJVDVSL-UHFFFAOYSA-N 479.560 2.646 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2c(C)noc2C)n1 1705631444 FSUGYPROWPGXDN-UHFFFAOYSA-N 460.542 2.784 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(OC(F)F)c2)CC1 1705636407 JBJBAONISFIHJI-UHFFFAOYSA-N 459.888 2.793 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1705638008 ULQUEELZJDKOLR-UHFFFAOYSA-N 462.554 2.560 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2ccc(OC)c(OC)c2)CC1 1705639772 WCIJLYSWDXYHKS-NRFANRHFSA-N 453.587 2.577 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705685030 LAEKEFJJJMCYPY-UHFFFAOYSA-N 479.379 2.609 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705694247 PUZPVJRJHHFBLT-COPCDDAFSA-N 486.661 2.713 30 10 JFEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705730873 OVXKOSOJJPFDHU-SFHVURJKSA-N 456.572 2.551 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1705900630 KNSQOVUMNRRQQN-UHFFFAOYSA-N 459.554 2.806 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1705905248 OYSFQBYKHYYFLB-UHFFFAOYSA-N 466.973 2.708 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H](C(C)C)N1CCCC1 1706619573 CQWOJFKTDQONAB-QHCPKHFHSA-N 496.635 2.874 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722299579 QSCIKHHOGUHGPC-CABCVRRESA-N 454.522 2.612 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1722321280 BINASNNEZCBWEO-UHFFFAOYSA-N 475.528 2.830 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1722363829 VYWLWGORGRLMFK-OAQYLSRUSA-N 455.628 2.756 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722366472 QFHVYGZZOZAPGY-FUPPJEDESA-N 498.697 2.647 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722367462 LSNPKWDBFHOUDF-SXWKCWPCSA-N 493.029 2.708 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCCN1CCOCC1 1722382208 GGTSAYVWPSICQL-UHFFFAOYSA-N 484.645 2.578 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2cccc(Br)n2)n1 1722426721 AWYFZIINNSAFTK-UHFFFAOYSA-N 495.385 2.962 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1nccnc1C 1722429065 MTPJNKUXPOEHKC-HXUWFJFHSA-N 483.617 2.820 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN(CC)C(C)C)CC1 1722429753 RJQZIQFGJOSFTH-UHFFFAOYSA-N 451.619 2.633 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1722443538 KWWMREBRVJCSFH-RUZDIDTESA-N 474.590 2.752 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1722455734 WFKUWRAMHNJIFC-UHFFFAOYSA-N 454.600 2.704 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722472400 KJWCVLAKJXIHIH-AREMUKBSSA-N 458.566 2.771 30 10 JFEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722479077 BCMKYZBWBQTPLC-UHFFFAOYSA-N 457.332 2.519 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722502871 BCONQERMNDULFN-RXVVDRJESA-N 474.631 2.538 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722531032 LWSHNBQPYDCKRX-FQEVSTJZSA-N 489.642 2.682 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722545354 BTXRZENGOXOJOO-CKJXQJPGSA-N 466.991 2.874 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722550110 GJABAJDMIMBBCH-IBGZPJMESA-N 458.010 2.924 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722576571 PTVRKQCJSIEZNF-GOSISDBHSA-N 487.445 2.721 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1nnc(C)s1 1722652327 CVJIALXFXRJNKL-UHFFFAOYSA-N 453.572 2.924 30 10 JFEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1722685304 CKEPPOOYIRZWCZ-YOEHRIQHSA-N 467.389 2.707 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](OCC(C)C)C1 1722689352 SCDIHICXPBAHFO-INIZCTEOSA-N 465.396 2.600 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1722703053 UMEKQMBPUGLBNA-LRQRDZAKSA-N 475.977 2.536 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@@H]1C 1722724214 QJNGPCNMTTZQBZ-HOTGVXAUSA-N 454.980 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1722731498 MJPIZBFDVLRPSB-UHFFFAOYSA-N 460.579 2.514 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740555847 PFTWPTLVTXQHED-IEBWSBKVSA-N 475.519 2.628 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740587992 DUVUPVPCSMKPGJ-QGZVFWFLSA-N 471.359 2.594 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740597765 SYVGUYJYLVFBIT-DEOSSOPVSA-N 450.543 2.765 30 10 JFEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1740620871 YMUSRNKABMRKGL-IIBYNOLFSA-N 499.058 2.515 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1740682760 ILTKCOBVECWJAZ-FQEVSTJZSA-N 488.514 2.842 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCn2ccnc2C)CC1 1740691002 RUIWQRPOYQMUEL-LJQANCHMSA-N 451.550 2.908 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(N(C)C)CCOCC2)CC1 1740691142 VPJMLEUGGCUJON-QFIPXVFZSA-N 496.656 2.683 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C)cc2OCC)CC1 1740705017 ASRHNBUQBAHRDC-QFIPXVFZSA-N 465.598 2.893 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1740705333 FUPRMPDPIYPSGS-DNQXCXABSA-N 478.641 2.831 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1740709894 NMIKUEWDYKZNJS-SFTDATJTSA-N 458.676 2.971 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OCC)C1 1740715477 JSXIWDKOEBIFCK-QGZVFWFLSA-N 462.645 2.610 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cnn(C)c1 1740721235 CAXXDLBXLZZXRW-KRWDZBQOSA-N 455.613 2.711 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740743868 HJJDKUVUGWIUDK-KRWDZBQOSA-N 456.429 2.875 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740751636 NDIIFSVJQKRWQH-OFNKIYASSA-N 492.628 2.771 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 1740853678 HLOLALCASFILNF-QUCCMNQESA-N 459.616 2.743 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1740937203 VLBCFIJOJXGSGG-LJQANCHMSA-N 488.633 2.943 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1740988497 GUGSOZGXOAEUEB-INIZCTEOSA-N 481.981 2.540 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1740989967 DPCYEAMRCGQQQX-UHFFFAOYSA-N 458.632 2.642 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)c1C 1742033743 HFWUENJNCOEXAD-AVRDEDQJSA-N 460.604 2.714 30 10 JFEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1745428319 CJAFJXFXPITZDA-UHFFFAOYSA-N 464.618 2.886 30 10 JFEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1748710480 QYUXIWQXZAEFOX-RBUKOAKNSA-N 491.596 2.765 30 10 JFEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)N1CCN(CC)CC1 1748776800 QJGAVZRWCCRQMG-INIZCTEOSA-N 463.399 2.942 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748819292 MEUWTCDSYMNTLK-NRFANRHFSA-N 487.645 2.757 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1748823926 FTXJATCBNYWPTM-SFHVURJKSA-N 472.592 2.602 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@](C)(O)c1ccccc1 1748857569 DDMCCFFFCBKRRX-AMGIVPHBSA-N 493.608 2.957 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)CC1 1749010842 QUFMUIOGPAOTKM-UHFFFAOYSA-N 487.608 2.622 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749023929 ZZKSBGQWVIVISN-QGZVFWFLSA-N 495.646 2.784 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CS(C)(=O)=O)c1 1749080655 QVRDCRKEGSUUJD-AWRGLXIESA-N 472.611 2.587 30 10 JFEE C=C(C)Cn1c(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nnc1[C@]1(OCC)CCOC1 1749208973 HYMQIWKWHXNZCN-SANMLTNESA-N 482.629 2.884 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCOCC2)C1 1749215796 FYBDJWCIYLXGKS-UHFFFAOYSA-N 489.642 2.795 30 10 JFEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749235339 POCOFPJNVOJRQQ-UHFFFAOYSA-N 458.651 2.738 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1749271564 ZRKJYPCTAGJRIP-QZTJIDSGSA-N 486.013 2.969 30 10 JFEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1)C1CC1 1749508793 ZZLUBIWUDNOPQD-QHCPKHFHSA-N 460.600 2.925 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749622597 KRUBTCIFYTZUAM-UHFFFAOYSA-N 460.376 2.969 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1749670264 PHAJSHIVCHSRQV-IPMKNSEASA-N 474.606 2.561 30 10 JFEE 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453.568 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnn(C)c1C 1359327877 NGFZMKVPRWDQSS-UHFFFAOYSA-N 480.598 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(F)(F)F)C1 1359335596 PNNVBGMUZNTUOM-SFHVURJKSA-N 488.532 2.788 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)C1 1359356892 VAVAYHHJKORRDZ-CQSZACIVSA-N 472.347 2.853 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2COC(=O)N(CC)CC)ccc1F 1449077536 QUHFOAHWXSJFMO-KRWDZBQOSA-N 455.552 2.763 30 10 JFEE CCN(C[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1)CC(F)(F)F 1473215223 HJLDLEGILYSVFE-MSOLQXFVSA-N 457.566 2.663 30 10 JFEE CC[C@@H]1CCCCN1CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1499471493 BMAXIODGOOLFBJ-WOJBJXKFSA-N 454.575 2.859 30 10 JFEE CCOc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](C)N(C)C)cc1OC 1502813514 CLLHPCHFVIWOQK-LJQANCHMSA-N 490.612 2.896 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507624488 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478.622 2.578 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588068988 DKVHGIOTWXUMHP-XJUOHMSHSA-N 486.638 2.916 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NC1CCCCC1 1588189915 UIHORZYZNAIRHS-UHFFFAOYSA-N 457.376 2.948 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCCOC(C)C)CC1 1588806158 IIPWCCWWZRJPPM-UHFFFAOYSA-N 477.613 2.635 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C)CCOCC2)CC1 1588876946 OWCYFPRGQQIDNV-FQEVSTJZSA-N 472.634 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCN(CCC)C2)CC1 1588967817 BIQHZUKVMLCROP-FQEVSTJZSA-N 482.604 2.694 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1589047926 NOYDBHLKVBZODI-IBGZPJMESA-N 461.595 2.748 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1589059375 FCRUBKRNLZSEBX-RTBURBONSA-N 490.674 2.851 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1589185694 GXKGOVKTNPFVJP-JOCHJYFZSA-N 458.584 2.922 30 10 JFEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1589366514 FSRRTLGZKXSELR-UHFFFAOYSA-N 451.332 2.842 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCC)CC1 1589383511 VYPSYNWERFCWMP-UHFFFAOYSA-N 450.385 2.720 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1593763247 FJPGFXYIZGBGNI-FQEVSTJZSA-N 485.564 2.533 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1594497627 KROIKKJYNKYOFG-SFHVURJKSA-N 463.648 2.764 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc2ccccc12 1594962565 LSWXDZCDKMJEHP-SFHVURJKSA-N 461.613 2.691 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1595161844 NKOHXPHGIWGMFS-SFHVURJKSA-N 498.575 2.918 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@@H](C2CCC2)C1 1595507018 TZRHVEDNBYNDNU-SFHVURJKSA-N 455.559 2.517 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)[C@H](C)C1=O 1607493138 DDWASIWRDGSMDX-GOSISDBHSA-N 475.553 2.533 30 10 JFEE CC[C@@H](C)N[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccco1 1611302983 GQGDFQFICDYNCL-DYESRHJHSA-N 458.584 2.798 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1c(F)cccc1N1CCCC1 1611696295 FJWPGXGLOBACOJ-HXOBKFHXSA-N 489.621 2.806 30 10 JFEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)OC 1613499766 DQAGVGJRBPLGJD-JOCHJYFZSA-N 496.612 2.762 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1614348745 ATJOUYOZSDONGY-WAIKUNEKSA-N 456.522 2.711 30 10 JFEE CCN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1615628492 BHUPGOJMYBLCRY-UHFFFAOYSA-N 487.612 2.854 30 10 JFEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C(=O)OCC 1622506494 OTOSQKDONZRFCF-ZDUSSCGKSA-N 452.298 2.551 30 10 JFEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2ccccc2S(=O)(=O)C(F)F)CC1 1623494345 GXHXTDBUAXBYOO-GOSISDBHSA-N 451.470 2.774 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1 1635916414 PUAXNAQOTZKRIN-UHFFFAOYSA-N 457.552 2.682 30 10 JFEE CC[C@H](Cc1ccc(Br)cc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1648933742 IFPYGJWNACLRGM-QGZVFWFLSA-N 450.358 2.737 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1649543424 RAUJWVVAXQGOCJ-UHFFFAOYSA-N 451.575 2.757 30 10 JFEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@@H](CN3CCOCC3)C2)cc1 1652599356 FFYJDHDTDFUYCH-FQEVSTJZSA-N 451.571 2.567 30 10 JFEE C#CCN1CCN(C(=O)CN(Cc2ccccn2)Cc2ccc(Br)cc2F)CC1 1658776387 CJGSCGLQNWEHCO-UHFFFAOYSA-N 459.363 2.763 30 10 JFEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)CC1 1659058654 GSWFRIMKNGYOGJ-RBBKRZOGSA-N 455.603 2.635 30 10 JFEE C#CCOc1ccccc1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1660837058 CAUQUUTYTQTAAO-HQRMLTQVSA-N 470.526 2.745 30 10 JFEE Cc1cc(-n2cccn2)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1670967645 FHFCBSSPMTYRNE-UHFFFAOYSA-N 450.524 2.591 30 10 JFEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1671888392 GHDPGHPNQIVSFK-GOSISDBHSA-N 450.605 2.881 30 10 JFEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(Oc4cncc(Cl)n4)CC3)C2=O)cc1 1681514989 DYIZIXYYJVDMSB-GOSISDBHSA-N 454.918 2.750 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)C2=O)cc1 1686341111 CMQSTDZFPILJDL-HXUWFJFHSA-N 453.930 2.961 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689986141 JJWCJUQSRIDMGJ-RTBURBONSA-N 459.591 2.585 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689996868 PZTWQKRPNJUAJT-UXHICEINSA-N 486.594 2.575 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2conc2COC)CC1 1690114933 LYFDUKDREVTODQ-UHFFFAOYSA-N 489.349 2.785 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCSCC(F)(F)F)CC1 1690148600 MHSQGIASJXGYOF-UHFFFAOYSA-N 466.533 2.525 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690159787 MQPKXQXBZOPGRT-FQEVSTJZSA-N 490.431 2.888 30 10 JFEE C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1690165583 CMHMRHVCFRHFHB-WOJBJXKFSA-N 455.628 2.987 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1690428229 JFDXHNGKOHFECN-UHFFFAOYSA-N 450.547 2.658 30 10 JFEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690453989 PTYJPCBQFLKAIZ-QGZVFWFLSA-N 490.406 2.875 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690672514 VATILXULNOJYPN-HNNXBMFYSA-N 476.528 2.553 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(C)C)C1 1690729048 FFGGSUDHHVYYPV-QGZVFWFLSA-N 465.645 2.743 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690733953 RNODLBMEGXJENA-OAHLLOKOSA-N 469.537 2.917 30 10 JFEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C1 1697211222 DMKHJPUODLVOFO-NBGIEHNGSA-N 468.602 2.702 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705563575 ADYBPZCEEYFHHK-NRFANRHFSA-N 495.605 2.813 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@](C)(CC)O1 1705580739 QEWKGFJDSZWSNQ-MBSDFSHPSA-N 454.600 2.659 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705630154 IHMBXXXXPUSOHU-FDFHNCONSA-N 497.644 2.729 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1705658821 BTTHSYGMVDUUNX-BZSNNMDCSA-N 476.647 2.725 30 10 JFEE C=C(Br)Cn1c(N2CCc3c(ccnc3O)C2)nnc1[C@@]1(OCC)CCOC1 1705692246 DBMINVQJRLBUQI-LJQANCHMSA-N 450.337 2.502 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C)c1ccccc1 1705796052 XSKPDKAFTUTBBZ-UGKGYDQZSA-N 450.587 2.931 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1)c1ccccc1 1705797119 QICQBLADJFOFBM-RTWAWAEBSA-N 454.600 2.873 30 10 JFEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705804245 UPKSUNMKALYRMF-UHFFFAOYSA-N 467.618 2.580 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl)C1CC1 1705854029 HJJPGKWJTUBPND-QVKFZJNVSA-N 450.992 2.896 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncnn1C(C)(C)C 1705870309 FWLIBKBYSMXMMB-UHFFFAOYSA-N 484.630 2.769 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1705876127 PQPQDXJVDVXUMD-PZJWPPBQSA-N 459.616 2.902 30 10 JFEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1706238125 IELALDXNCBQWML-UHFFFAOYSA-N 478.988 2.964 30 10 JFEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)CC1 1709587752 HFYAFHMTKDSITJ-UHFFFAOYSA-N 475.601 2.951 30 10 JFEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(C)(C)CN2CCOCC2)c1=O 1710189970 FCBZWQOENUQRLK-UHFFFAOYSA-N 489.624 2.841 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1711471669 DSZUUSJEUMKUKJ-MOPGFXCFSA-N 451.575 2.826 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1Cc1cccc(N2CCOCC2)n1 1722301941 FBDCJLVEFTUWPB-HXUWFJFHSA-N 476.581 2.994 30 10 JFEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722320927 OYXVSWCBWUXXTA-UHFFFAOYSA-N 459.616 2.829 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722340900 LSTNCESASROGMF-QHCPKHFHSA-N 457.600 2.756 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722455662 VUDOAMUFRVAESX-INIZCTEOSA-N 460.991 2.530 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1722472586 HVRORQMVCZAUPK-FDDCHVKYSA-N 456.547 2.923 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1722475670 WSYPGPUTZRHROZ-WIYYLYMNSA-N 497.543 2.670 30 10 JFEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCO1 1722483561 PRQSCYXQANTQNZ-QGZVFWFLSA-N 462.396 2.976 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 1722496146 JUAISOPNJDBDNP-MBSDFSHPSA-N 469.586 2.666 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1722503768 CLTIUSNISRJGMK-UHFFFAOYSA-N 458.364 2.991 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 1722509557 NMXWEOHGMYLGNE-HJPURHCSSA-N 475.540 2.599 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722665090 GELGPHWQRXJOAE-GOSISDBHSA-N 467.599 2.795 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1722696378 LCMZJFPZPBPVBW-KRWDZBQOSA-N 467.599 2.974 30 10 JFEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722738924 COXWHIYBLUEDOB-UHFFFAOYSA-N 467.686 2.880 30 10 JFEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1723512177 CBBXFZRSGUPSRJ-UHFFFAOYSA-N 479.629 2.622 30 10 JFEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCC[C@H]1C 1726547672 DCDCZMGOQLCCEB-UXHICEINSA-N 465.602 2.660 30 10 JFEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1728586360 HFTROFOZKZUDIB-OFNKIYASSA-N 451.619 2.848 30 10 JFEE CCNC(=O)c1cccc(Cn2c([C@H](C)CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1728659527 GRZXURJVNOQIOA-GOSISDBHSA-N 489.628 2.830 30 10 JFEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1729496386 BHSILWRHVXXXRV-UHFFFAOYSA-N 457.478 2.695 30 10 JFEE COCC(C)(C)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730429220 FWEHROMWWTVAJV-FQEVSTJZSA-N 453.591 2.828 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2nc(C)c(C)s2)n1 1740689525 XZTXFYKYRIKANV-UHFFFAOYSA-N 464.599 2.888 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(N(C)C)CCCCC2)CC1 1740707217 UGCPTWBKWTXTQR-UHFFFAOYSA-N 483.686 2.864 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1740744455 BEKOLFAOBFXFQV-AEFFLSMTSA-N 481.416 2.975 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@@H]1CC 1740752825 BKGZGMZSTYHNKQ-JQFCIGGWSA-N 463.380 2.732 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740849574 NWNAVZLKGYUONW-OAQYLSRUSA-N 451.619 2.609 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1Cc1ncnn1C(C)(C)C 1740914208 NBKHBTLKXRQEER-UHFFFAOYSA-N 478.601 2.997 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740952435 DXQLOBWGRAXDNG-UXHICEINSA-N 489.642 2.741 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1740960619 WGZWMNDJKPQQDM-QZTJIDSGSA-N 458.607 2.930 30 10 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CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@@H]21 2282860480 AVGPWMQYADLRNC-OIISXLGYSA-N 498.476 2.971 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@]2(C)C1 2282862731 HPGKHPFQJNPCOP-NYHFZMIOSA-N 498.476 2.925 30 10 JFEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C2 2282874775 GEUTVXWPBNZCNV-OPAMFIHVSA-N 498.476 2.866 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCc3ccccc3)c(O)c2)OC1(C)C 2282880793 NIMRPPPPMBOBOC-IFMALSPDSA-N 453.344 2.796 30 10 JFEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)CC1 2282972350 OHBPKKYWZLGYTI-UHFFFAOYSA-N 483.777 2.976 30 10 JFEE Cc1ccc(NC(=O)[C@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2283969273 IBAHTRRKRCUZKE-IEBWSBKVSA-N 460.380 2.993 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CCOC1 2284040897 NELNEMWTPWLYOC-MAUKXSAKSA-N 480.436 2.841 30 10 JFEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1 2284046930 FTEZYBCCBLIDJB-WMZOPIPTSA-N 480.436 2.936 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCc4ccc(B5OC(C)(C)C(C)(C)O5)cc43)[C@@H]2C1 2284060414 MPPLMROSXMHHSF-OPVJXMOQSA-N 454.376 2.988 30 10 JFEE Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)OCc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2284417993 SMVCBYPFZJMXSJ-MAUKXSAKSA-N 495.428 2.693 30 10 JFEE Cc1csc(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2288575029 OZTRSUHMEREGDZ-UHFFFAOYSA-N 478.420 2.818 30 10 JFEE CCOc1ccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296556345 LVIPXULZHCFADK-QFIPXVFZSA-N 454.498 2.978 30 10 JFEE COc1ccc(OC)c(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)Cc2ccc(OC)c(OC)c2)c1 2318585039 YOLAKIABKZTJSC-NHCUHLMSSA-N 468.550 2.640 30 10 JFEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2320685116 XZWCPSCKBVLTSF-CYBMUJFWSA-N 474.816 2.593 30 10 JFEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OCC 2325648485 MCMJZOWIUFTAQG-UHFFFAOYSA-N 474.535 2.920 30 10 JFEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(Br)ccc1O 2331273533 NHTYDLNOGCEKGV-UHFFFAOYSA-N 494.371 2.819 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2350812004 GSUYHFNVGXFVQA-FBROZUCGSA-N 454.571 2.939 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C(=O)O)n1 2362153196 SBCADHNVOUTLIS-IAGOWNOFSA-N 461.368 2.636 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)N2CC[C@H]1C2 2368647054 YIMKWMYHZUOQBB-ROUUACIJSA-N 458.412 2.674 30 10 JFEE Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1 9860730 WQLPIZJVIDYTHS-FPOVZHCZSA-N 488.610 2.586 30 10 JFEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2nc(-c3ccccc3)cs2)C1=O 12377008 VBKLIANVLLXSHN-JWGURIENSA-N 451.493 2.976 30 10 JFEE C=CCn1ccc2cc(S(=O)(=O)N3CCCN(S(=O)(=O)c4ccccc4)CC3)ccc21 13368876 LUNBPYRDGSQRPL-UHFFFAOYSA-N 459.593 2.913 30 10 JFEE COc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cs2)cc1OC 18039265 NTUYPNKYWJMLFG-UHFFFAOYSA-N 498.586 2.846 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)S(=O)(=O)CC(=O)Nc3ccc(OCC)cc3)cc21 19978402 GSLRTHZZDYMVRF-MRXNPFEDSA-N 486.546 2.621 30 10 JFEE COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCCO4)[C@@H](C#N)C(=O)N3)cc1 72461443 DGIMLVXLFKCYAI-APWZRJJASA-N 459.462 2.907 30 10 JFEE COc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c(OC)c1 103120572 MFPVEQSIJVPBNC-FEYWKWKCSA-N 484.524 2.987 30 10 JFEE COc1ccc(N2C(=NC(=O)c3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254528507 PBUGAHLXHNJMHT-LPHOPBHVSA-N 462.549 2.628 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1-c1ccccc1C#N 515657286 QTWKKOHBOFHXHC-UHFFFAOYSA-N 481.364 2.883 30 10 JFEE COc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1OC 586506225 QQIVOLQYZLSVBD-UHFFFAOYSA-N 463.508 2.879 30 10 JFEE C#CC[C@@H](NC(=O)c1ncoc1CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757485846 GFZJRHNHBKTAHX-HXUWFJFHSA-N 459.458 2.920 30 10 JFEE C[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)Nc1sc2c(c1C#N)CCC2 919541282 DKNWSURMMFJJBG-NSHDSACASA-N 485.543 2.599 30 10 JFEE C#CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)CCCN1C(=O)OC(C)(C)C 1128018518 VDYWNQDAYLJMOS-JOCHJYFZSA-N 450.557 2.838 30 10 JFEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)CC2)c1 1222806971 HZNLDAMALIGPBP-QGZVFWFLSA-N 458.444 2.609 30 10 JFEE C#CCN(C(=O)NCc1cc(C)nc(N2CCCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1229469365 PLVKDGJETPMATO-UHFFFAOYSA-N 456.591 2.930 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCOC[C@H]1CCOC1 1286275863 UMTYOQLBZXKVTD-HZPDHXFCSA-N 450.381 2.947 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1286295783 LGPXFOYHHJCFHV-UXHICEINSA-N 460.623 2.776 30 10 JFEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286336096 GTUIILLVXSOXJC-QFIPXVFZSA-N 489.624 2.665 30 10 JFEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286374530 ZZMYOIYYLCODMO-INIZCTEOSA-N 452.513 2.717 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1286386081 UEGOLKOBPJGCTL-QFIPXVFZSA-N 499.681 2.725 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1286386458 ABEIPDDJFBEIJV-INIZCTEOSA-N 481.416 2.761 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286387975 JHQWJGGQWRGHST-UNMCSNQZSA-N 485.654 2.845 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@H](O)C1 1286470378 URJCFDZWMMIVSZ-VNTMZGSJSA-N 461.607 2.686 30 10 JFEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N(C)C2CCCCC2)CC1 1286483435 KPGOJCYEZMLHEP-UHFFFAOYSA-N 462.642 3.000 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)cc2)CC1 1286488404 NHSINHBJTXATQL-AREMUKBSSA-N 465.598 2.641 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286499090 OBAZRTWTDWFBNL-WBVHZDCISA-N 460.401 2.789 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1286513632 XGSLFYFYUXIAGW-IBGZPJMESA-N 476.647 2.775 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1286693432 POYBLCZAOCOKQR-UHFFFAOYSA-N 466.977 2.944 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)=O)CC1 1286712360 XEKFOJDBVJXIST-FQEVSTJZSA-N 476.622 2.654 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286793167 UNNXLCUYQPIBNH-MAUKXSAKSA-N 475.018 2.583 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286824755 IEHNDNFDVVARHT-RBUKOAKNSA-N 497.662 2.814 30 10 JFEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1286829064 VPRSQUQFFHXCIY-UHFFFAOYSA-N 460.629 2.817 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1=O 1287775748 DHDSPIBPKUKGRO-NRFANRHFSA-N 450.543 2.726 30 10 JFEE CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1294476815 HXLSHRCXZDZCJF-KRWDZBQOSA-N 459.428 2.857 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C2CC2)CC1 1295346823 ARIVYRHUJJEZHA-OAQYLSRUSA-N 451.575 2.826 30 10 JFEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1295464298 APLKQQMIMHXGGT-UHFFFAOYSA-N 463.508 2.806 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC[C@@H]2C)c1 1300333931 GKLGHAHTSOZGIK-UGKGYDQZSA-N 458.566 2.993 30 10 JFEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1300381369 DDTRDRQAOFANPU-UHFFFAOYSA-N 453.547 2.845 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1300497321 YHEGJBGZEZWTGC-XZOQPEGZSA-N 491.702 2.905 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300880662 JVKCWHLFBBUWCQ-FXAWDEMLSA-N 462.620 2.505 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1301019127 HCKIPOHBHPOPNN-HNNXBMFYSA-N 453.996 2.952 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCOC[C@@H]2C)CC1 1301072489 JEBTXWIMJGQNMS-SFHVURJKSA-N 457.575 2.848 30 10 JFEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301206971 MKSPSWPDQLVZIH-LJQANCHMSA-N 475.615 2.933 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301481415 LWBRVECAQNQHOX-LAUBAEHRSA-N 483.548 2.654 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301515006 OOYYJLXSYKLIEZ-FQEVSTJZSA-N 457.575 2.952 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCc2oncc2C1 1301569548 YUDASTUMNUYIBH-UHFFFAOYSA-N 478.372 2.859 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1301584875 FPIMYJPAQPSFSJ-UHFFFAOYSA-N 496.593 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1301588009 BHKLCRGLYDMEFL-LJQANCHMSA-N 475.615 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1301588836 KLBFFMZHGXNZLF-QZTJIDSGSA-N 495.596 2.544 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(OC)ccc1Br 1301589310 QIOQPJJBRVFWLV-OAHLLOKOSA-N 499.431 2.790 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1301609632 MIAXSOPPRLMYTH-SFHVURJKSA-N 475.018 2.764 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1303767968 GRNLXCDPZNJTHG-KRWDZBQOSA-N 459.595 2.691 30 10 JFEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1306520876 DJSOOKWKBKKKLB-FQEVSTJZSA-N 466.586 2.776 30 10 JFEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCN(C)C2)cc1Br 1315405536 FKEYJZUDCHLWLK-QFIPXVFZSA-N 489.418 2.913 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCCCC1 1358895206 FJLFITDPAGFWBF-HSZRJFAPSA-N 477.657 2.503 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1358924193 PATAUOJPFCOYMP-GOSISDBHSA-N 477.573 2.780 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358958432 NSDKCOHKCFICHG-TXBYWVTISA-N 494.564 2.724 30 10 JFEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1358963602 KTPSCBPGMDUWJO-XLIONFOSSA-N 476.624 2.559 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1358966514 QVQVJDBOEZTOID-NRFANRHFSA-N 454.621 2.994 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1358967201 FZQKHHFZRLJAED-XUVXKRRUSA-N 478.659 2.783 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1358967323 IBKMCYZXBHYIRW-BXWFABGCSA-N 499.058 2.586 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)C(C)C 1358971693 FTLWNZASTOYNHR-UHFFFAOYSA-N 458.360 2.561 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1359030887 JJFJUBVVWJQVGV-UYAOXDASSA-N 469.586 2.541 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1359041874 LCNORWHVDYZDLS-DWXRJYCRSA-N 483.613 2.725 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2nnc(C(C)(C)C)s2)CC1 1359043475 VIQUKMKXRIPHTK-UHFFFAOYSA-N 464.599 2.503 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(C)C)c2)CC1 1359045124 XQTUKHKELVTMHR-QFIPXVFZSA-N 465.598 2.831 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1359070407 LZXARJBASZYWPN-PXDATVDWSA-N 483.638 2.703 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(OCCCOC)CC1 1359082326 FRNRLIYWIGNLFA-UHFFFAOYSA-N 482.379 2.936 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359084505 JUALITHAZCPRCA-LJQANCHMSA-N 452.303 2.915 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359094964 IIEXYCKJYLCEAK-WWMYMODYSA-N 476.599 2.567 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1359095186 LGQIQCKWBIBWOS-JTSKRJEESA-N 490.626 2.957 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCN1CCN(C(C)=O)CC1 1359263196 TYIGKNTUNCBOOI-UHFFFAOYSA-N 451.600 2.758 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1359318608 INHSGECALVNOPH-IBGZPJMESA-N 452.534 2.942 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC2(CC1)OCCO2 1359329276 DMIFPEJLJQXEOU-UHFFFAOYSA-N 482.006 2.716 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1359331902 KDQVHTJVUADQAW-UHFFFAOYSA-N 462.591 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(CC)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1359335721 SNVNYHRNJWOKDP-FQEVSTJZSA-N 457.644 2.879 30 10 JFEE C#CCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[C@@H]1CCOc2ccc(Br)cc21 1360552281 OKXFBRZNJCAXRW-JFIYKMOQSA-N 459.340 2.910 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)s1 1448067913 YAYATKZPXGZTRD-INIZCTEOSA-N 457.618 2.517 30 10 JFEE COc1ccc2c(c1)OCC[C@@H]2NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1456957046 HGCRNIYFIBSFCE-NRFANRHFSA-N 455.536 2.608 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCO)c2ccccc2Br)c1 1463504380 LLZWMUGLRJUMBR-SFHVURJKSA-N 453.358 2.767 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)(C)CN3CCCC3)nnc12 1472555928 AUAJHUBVNXWOFW-UHFFFAOYSA-N 454.600 2.561 30 10 JFEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 1475194907 BYNKQAYYPFWPPH-FQEVSTJZSA-N 458.536 2.966 30 10 JFEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478094867 ANWLNDCITGZCLK-VQTJNVASSA-N 457.575 2.898 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507571969 SSCFOLDIBHOBIS-OALUTQOASA-N 499.616 2.626 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1507635099 PPNPZTFUFXHPMX-KRWDZBQOSA-N 461.638 2.565 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCCCO1 1507701421 GNUOHKUOGYPRHI-FPOVZHCZSA-N 460.575 2.918 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1507721853 MPADXFXCHRNJMV-OAQYLSRUSA-N 490.608 2.627 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(F)c2F)CC1 1507739188 AHHLYNUZVRQDGA-UHFFFAOYSA-N 464.520 2.751 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 1507917072 YBSVADVGXGYOGO-KRWDZBQOSA-N 482.676 2.869 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1508051198 SJKWPOYQGMQORR-UHFFFAOYSA-N 466.926 2.564 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccn(C)n2)C1 1508110087 SAHWRCJVHKKSKK-HXUWFJFHSA-N 469.977 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(CNC(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1508148503 IMVOPRWDOOLIJZ-UHFFFAOYSA-N 485.654 2.701 30 10 JFEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1508460563 CVOGNQSQACJEQN-UHFFFAOYSA-N 493.534 2.575 30 10 JFEE CC(C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1509723824 DHFBZCRWPUWNJY-UHFFFAOYSA-N 492.559 2.504 30 10 JFEE CCN(CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1515709564 FHFUJWOOUHYJGB-FQEVSTJZSA-N 484.985 2.624 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(-n3nc(C)cc3C)nc2)CCOC1 1516128479 FTSRKEKVENRQSQ-HOYKHHGWSA-N 464.574 2.914 30 10 JFEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCCCC2)CC1=O 1519229142 HCVXEXHYGYUVPG-UHFFFAOYSA-N 466.586 2.709 30 10 JFEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)ncc2c1COCC2 1525913218 HJXJTEJAAJDWCX-LCYFTJDESA-N 452.536 2.677 30 10 JFEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539052411 PAILCSIYXWULEL-LJQANCHMSA-N 460.376 2.852 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cn(C2COC2)nn1 1539159529 YSQRMOXJKPAOFY-UHFFFAOYSA-N 462.739 2.642 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1539224589 IKWKQEFDYBNMIW-SFHVURJKSA-N 488.639 2.558 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1cccc(NC(=O)C2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1539230393 HAUHGIDVUDBSLK-QFIPXVFZSA-N 499.637 2.618 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539230883 QSAREXQQPGWFCS-IBGZPJMESA-N 484.651 2.542 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc2c1OCCCO2 1539299931 QDTJKZQTNCNODW-AREMUKBSSA-N 464.566 2.991 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCCC)CC1 1539470286 LSHFGAHPKPQJGO-UHFFFAOYSA-N 477.407 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1539481136 IIUIDKDMMTXCSA-UHFFFAOYSA-N 478.641 2.717 30 10 JFEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(CCC)C(=O)C1 1539513348 MXRHNHMWLDJYAX-UHFFFAOYSA-N 463.611 2.946 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1539542454 ZXWVUXUCMXQGDH-WMQCIHAUSA-N 455.525 2.807 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)C1=O 1539634196 NGBIQHBFKLOPNF-LJQANCHMSA-N 459.474 2.869 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1539728069 CJBSTXSHHJNPOC-PMACEKPBSA-N 459.616 2.880 30 10 JFEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539752562 RPJYRNBWPUSDRY-UHFFFAOYSA-N 480.617 2.693 30 10 JFEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539965790 AURKEVDVWKFNFF-RXVVDRJESA-N 475.615 2.913 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)C(C)(C)C 1540120030 ITSKEWQGVJCVTE-UHFFFAOYSA-N 472.615 2.694 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1540127654 VZKGWQDTNZHJFT-HXUWFJFHSA-N 452.559 2.900 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1540201450 UYUSPFCEOJBGJI-MBSDFSHPSA-N 467.611 2.632 30 10 JFEE C=C(CN(C)C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1540717370 GCNKFSUIPNXIET-MHWRWJLKSA-N 455.483 2.567 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540864035 NCPDJUSRDDKEBS-RTWAWAEBSA-N 450.587 2.713 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540865420 GFLHMIORRNCQJO-UHFFFAOYSA-N 499.369 2.565 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1540887260 TVRPKDULQPTQHF-VQTJNVASSA-N 456.591 2.571 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540900296 QMYNCNDIEYEVDA-SFHVURJKSA-N 472.571 2.630 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC2(CCC2)C1 1540910563 JYMBMGPUTNHAHG-UHFFFAOYSA-N 477.656 2.874 30 10 JFEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)CC2)c(F)c1 1542552409 BWNLAGBCJGSWCA-IRXDYDNUSA-N 452.452 2.783 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(F)cc(I)c2N)c1 1543231353 SKOUMEBFRCGQRR-UHFFFAOYSA-N 451.239 2.705 30 10 JFEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2sc(C)nc2C)CCO1 1555403726 ASFHWAMRGAOVRL-LJQANCHMSA-N 454.556 2.702 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 1587693954 YBEPEIBAVPJZQS-OALUTQOASA-N 452.603 2.785 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1587803560 GEQADNBGMPRKSP-RTBURBONSA-N 458.607 2.959 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588012057 UCVCTIFUGSFCFS-SFTDATJTSA-N 465.577 2.889 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNc2nccc(C(F)(F)F)n2)CC1 1588892059 WJJHAGKTXIZSMB-HNNXBMFYSA-N 478.523 2.678 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC(N)=O)CC1 1589026693 IKYYOUSQQLGIRW-UHFFFAOYSA-N 451.955 2.575 30 10 JFEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1589036249 APWZZCJYZMZFQH-SFHVURJKSA-N 455.609 2.873 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1589069136 IVHJOCKRTDORDJ-QGZVFWFLSA-N 480.681 2.914 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC(N)=O)c1 1589177408 JBBPIYVAHUCQMZ-HSZRJFAPSA-N 450.930 2.898 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCN(CC)C2)CC1 1594036142 PTJZYXDXHPUPCA-IBGZPJMESA-N 458.632 2.694 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1594454767 ICNWLJCGURPLHP-KRWDZBQOSA-N 491.618 2.725 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1594997936 TYLYXJIMYUWEME-UHFFFAOYSA-N 462.616 2.717 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1595562454 ZNCTUKPERRRAKR-UHFFFAOYSA-N 474.491 2.623 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595594253 MGQNACNTNZHDHO-JKSUJKDBSA-N 463.947 2.640 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C 1595831629 UYWSFWUIBGVCOO-MRXNPFEDSA-N 468.645 2.777 30 10 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454.556 2.781 30 10 JFEE Cc1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)s1 2334263362 DESKRICHYZNXEM-QLFBSQMISA-N 463.409 2.878 30 10 JFEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361633866 BGOKBYLBFOSGKD-KRWDZBQOSA-N 480.436 2.862 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365139936 IGGWLVZBJMJYQK-IYWWOYPTSA-N 480.392 2.795 30 10 JFEE O=C(CCSc1n[nH]c(N/N=C/c2cccnc2)n1)Nc1cccc(N2CCCC2=O)c1 21039026 NVASGCJJLIFDAF-OEAKJJBVSA-N 450.528 2.893 30 10 JFEE CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C3CCCC3)n2)cc1 21084618 ZGUQXLWRIDPCQR-ZDUSSCGKSA-N 465.605 2.954 30 10 JFEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n[nH]2)c1 58997982 AKIMLXSTQLBNNU-BHGWPJFGSA-N 498.565 2.659 30 10 JFEE CN(C)c1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72461230 HCGSMQIFABATOH-GHTZIAJQSA-N 486.532 2.833 30 10 JFEE 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C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286537462 CPKDKBKUDNNJBY-MRXNPFEDSA-N 476.441 2.679 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286547815 QDMWWMJRLBHIFG-SPCJURDBSA-N 492.473 2.890 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1286563294 CLWKAAVMMVSUIA-UGKGYDQZSA-N 460.600 2.690 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)COC)CC1 1286604186 OVOZUIWDJLTXGQ-UHFFFAOYSA-N 451.930 2.625 30 10 JFEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286683821 BPQYQCGGFVVPMX-JOCHJYFZSA-N 484.626 2.804 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccnn2)CC1 1286707854 JVFAAIZIPGEHDJ-UHFFFAOYSA-N 473.379 2.745 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC 1286743407 GSDKQACNGMYCAL-UHFFFAOYSA-N 493.431 2.788 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286831148 AFSOWRFRGRODSW-QFBILLFUSA-N 466.604 2.816 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccco1)N(C)C 1288505897 DBSGQPYLBYXSLT-QFBILLFUSA-N 456.572 2.983 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1)C(F)(F)F 1288751058 HWHBEIOKHMRYPG-GHTZIAJQSA-N 491.562 2.736 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)c1 1300334477 MZKMAKSAXVQFHK-IBGZPJMESA-N 450.587 2.838 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300482679 GYRUYECCTRPZBN-UXHICEINSA-N 458.584 2.540 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1300484060 QVCXDUGVDARQQX-WIYYLYMNSA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1300497725 CTKNRTHKQTVUKC-QGZVFWFLSA-N 494.955 2.789 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNC(=O)c1occc1C 1300547506 NVFLALWTUZVVIN-TZIWHRDSSA-N 451.571 2.991 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[C@@H](OCC)C(C)C)CC1 1300700451 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C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(Cl)ccc1OC 1508087631 OWIVEAGVCIAWGJ-UHFFFAOYSA-N 472.933 2.606 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1508102820 ATNHESQFQLQOMA-VQTJNVASSA-N 460.600 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)=O)CC1 1508133939 PTDDHGNRKDUQLK-UHFFFAOYSA-N 473.643 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1508143919 LGJKHNUFFRJVNK-WMZOPIPTSA-N 467.636 2.571 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 1508146568 YWYJWZYSNPZVQC-RBUKOAKNSA-N 497.662 2.814 30 10 JFEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508162231 MCOCXLUWUZEFLQ-NRFANRHFSA-N 484.670 2.540 30 10 JFEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1 1508165557 VCMUEMVUEZRUOS-UHFFFAOYSA-N 456.660 2.789 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1515025292 DFLLNMFKQDFEOL-GOKJBEJGSA-N 498.653 2.773 30 10 JFEE COc1ccc(S(C)(=O)=O)cc1COC(=O)COc1cccc(Br)c1C#N 1516880428 ARKJIILDJKZRDR-UHFFFAOYSA-N 454.298 2.855 30 10 JFEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)ccn1 1516882537 GYMZXHMEEHSWTC-UHFFFAOYSA-N 477.594 2.843 30 10 JFEE C=C(Cl)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)C(=O)OCC 1535345171 RDYWMISUGOVYTM-INIZCTEOSA-N 458.964 2.720 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1538985961 GVFPXWPOKSHZFS-NYHFZMIOSA-N 474.583 2.820 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCS(=O)(=O)CC1 1539010743 CCLPCYJAJIMVKJ-QGZVFWFLSA-N 479.647 2.675 30 10 JFEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539093959 IJTMUDBEMAZMCN-SFHVURJKSA-N 458.994 2.743 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539221238 ZAUULQQSENUMSE-FQEVSTJZSA-N 484.601 2.785 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1539230707 PDEGAVABWSPIQZ-ATKRNPRHSA-N 497.621 2.561 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc2c(n1)CCCC2 1539246201 PZTWRDBRWCNTAY-UHFFFAOYSA-N 488.617 2.590 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCS(=O)(=O)C1 1539301217 NBTARVOJKPFBDP-QGZVFWFLSA-N 462.522 2.834 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1539371387 UDGUFQBRLOKQGA-GBWYYYKWSA-N 473.618 2.987 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1539438165 QEQRRFNDPBHFTG-WOJBJXKFSA-N 451.575 2.729 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1539482135 RGVRTCUXWWWNGG-KRWDZBQOSA-N 476.503 2.600 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539629956 CFIQOUPYGDAOBS-HKBOAZHASA-N 466.648 2.947 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1539899890 ALRJCBAAHLQQKO-KRWDZBQOSA-N 458.611 2.847 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539953029 DLKZGVBXGHLHBO-IBGZPJMESA-N 472.571 2.974 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1540051717 LHCYZMDQQHNSBO-UHFFFAOYSA-N 481.395 2.962 30 10 JFEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1540412852 GPNGPHCZMQUZSH-OAHLLOKOSA-N 451.552 2.623 30 10 JFEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540856013 LUGMDZJSGSORSF-UHFFFAOYSA-N 498.385 2.723 30 10 JFEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1540860464 PGBZDBFDYHYIOL-SFTDATJTSA-N 482.629 2.869 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 1540897481 KEWNJADXHWVTJH-VGSWGCGISA-N 464.563 2.775 30 10 JFEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1540911406 SCDBPILIMSXPKD-UHFFFAOYSA-N 481.630 2.724 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)CC1)S(C)(=O)=O 1547389762 CNISRQLZCRTNAF-UHFFFAOYSA-N 495.609 2.519 30 10 JFEE COCCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)NC1CC1 1548378122 VDOZHICESPOMAS-HXUWFJFHSA-N 478.515 2.937 30 10 JFEE CN(C)C(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1cncnc1 1548379797 IEFLWCCTQDFRNY-HXUWFJFHSA-N 486.498 2.957 30 10 JFEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1552727669 CLDIJGQRZBQTRZ-UHFFFAOYSA-N 485.379 2.933 30 10 JFEE COc1cc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(S(C)(=O)=O)CC2)cc(OC)c1OC 1554739983 HIBKMHFEMQRBEV-UHFFFAOYSA-N 489.598 2.678 30 10 JFEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1555341804 GLAARICGTBGAJP-FQEVSTJZSA-N 475.553 2.524 30 10 JFEE Cn1cc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(-c2ccc(C#N)cc2)n1 1564543286 CZIHYZIKKKMOKP-QFIPXVFZSA-N 453.506 2.825 30 10 JFEE C#C[C@@H](NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O)C(C)(C)C 1569919533 FQUFPYGIFPLINT-OAHLLOKOSA-N 454.365 2.913 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C(=O)OC(C)(C)C)C1CC1 1587620481 FXZUDZQBDALPDE-OAHLLOKOSA-N 456.547 2.863 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC2CCN(CC)CC2)c1 1587697643 VVFWKKBAVGWYNY-UHFFFAOYSA-N 491.640 2.579 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1587701519 DWOYACGPBPFNHD-FQEVSTJZSA-N 457.600 2.964 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1587835260 QWPQZKYWAOETNR-OAHLLOKOSA-N 483.374 2.653 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)Nc1ccccc1 1587989301 IUUGRQZCJZOFIL-LJQANCHMSA-N 468.558 2.685 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cccnc1N1CCOCC1 1588011907 OGWIOHZAWDBAJI-UHFFFAOYSA-N 497.397 2.969 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588015665 CWNPYHLTUMTVTD-PMACEKPBSA-N 451.550 2.581 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1588035140 PKNGDWJPIWIUPF-IFMALSPDSA-N 466.611 2.537 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C1CCCCC1 1588093742 OLPILBRWYBEHQQ-UHFFFAOYSA-N 471.403 2.910 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncnn1C(C)(C)C 1588174643 YNCOZGJIVMCCIF-UHFFFAOYSA-N 478.988 2.719 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1589036410 GQVBXONENHTCCN-GOSISDBHSA-N 457.600 2.633 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589357667 DIUQRORPAWJFJU-GOSISDBHSA-N 471.359 2.553 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1593666660 ODBWGGLBCDHXOZ-GOSISDBHSA-N 492.671 2.677 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1593746681 KUYHNYASROFVHQ-MRXNPFEDSA-N 482.006 2.501 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1594454184 CWMNYKCWTNCAMH-HZPDHXFCSA-N 481.623 2.575 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595490484 TTYRMGCOZMWEBZ-IBGZPJMESA-N 475.597 2.712 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1595544835 MTRRTSJIMLNFIN-ZCNNSNEGSA-N 488.633 2.700 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595594718 OMRSWSCRDOXCNZ-XMMPIXPASA-N 471.627 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(C)c2)CC1 1595789156 NZYZYBZVBXOEMH-UHFFFAOYSA-N 466.611 2.884 30 10 JFEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595860666 UDBXCFOLVGJCKM-HXUWFJFHSA-N 454.644 2.997 30 10 JFEE C#CCN(CC(=O)NCCCNC(=O)c1cccc(Br)c1)C(=O)OC(C)(C)C 1610945749 ZJPMMDUPKVFRJF-UHFFFAOYSA-N 452.349 2.556 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCS1 1612977464 DJDXNIWGXRXOGN-GOSISDBHSA-N 456.616 2.781 30 10 JFEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(CC)cc2)CC1 1617493272 RPEWVDWSKQCSTA-HSZRJFAPSA-N 454.615 2.620 30 10 JFEE COCCN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1619904221 CTFHMXZFJZGOHQ-LJQANCHMSA-N 469.567 2.888 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)CC2)cc1 1625121034 CIKLFILUJMVINO-UHFFFAOYSA-N 454.335 2.777 30 10 JFEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)s1 1640675934 ZBRJQQQYKSKHPD-OAHLLOKOSA-N 454.021 2.993 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 1674054899 ADMNASATBRRCOP-QGZVFWFLSA-N 457.579 2.606 30 10 JFEE COc1cc(CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc(OC)c1 1685787897 DVBGUKWAZVNMLH-UHFFFAOYSA-N 451.483 2.898 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC[C@@H]1C 1690006312 NLNYCJSKWLASIE-NRFANRHFSA-N 482.654 2.533 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1690013553 UEGMORYGQSTBMC-UHFFFAOYSA-N 476.491 2.949 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC(C)C)nc1 1690039377 CVZUFKMGGRXOTC-UHFFFAOYSA-N 467.537 2.614 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccc(C(F)(F)F)cn1 1690077530 QPILYJGDMVKPRZ-HNNXBMFYSA-N 470.521 2.556 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690115529 JMTWSPPIIWIMQX-NRFANRHFSA-N 476.547 2.526 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nnc(C)s2)CC1 1690139658 WLDWMYURFWLEJA-UHFFFAOYSA-N 455.975 2.773 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC[C@@H]2CCCCO2)CC1 1690152460 MCUOFCLJGWUAQG-NRFANRHFSA-N 481.597 2.791 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 1690235788 DUEZIBRGGCADMX-ZDFPQIBNSA-N 473.643 2.939 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690358838 LURWGFOPZOZDFQ-YCRPNKLZSA-N 450.971 2.962 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690481305 ABGQFXQYLSXLCE-UHFFFAOYSA-N 499.641 2.501 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1690560239 RCOXJWJEDKEKJS-GOSISDBHSA-N 487.536 2.884 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1690573772 CQQCGHXCDZNTQG-DLBZAZTESA-N 475.644 2.602 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)C1CCC(NC(C)=O)CC1 1690666703 DMANGJTWRASUGP-UHFFFAOYSA-N 489.418 2.893 30 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2283981537 NKTBBHPZRHUQSM-IBGZPJMESA-N 462.396 2.874 30 10 JFEE Cc1csc(CNC(=O)[C@H]2CO[C@@H](C)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2283984674 ZBFLQQCAAFDYCG-JKSUJKDBSA-N 480.436 2.996 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1C[C@@H]2C[C@@H]2C1 2284063032 KQXMJPAQHDPVLJ-HWMZRRJGSA-N 477.436 2.998 30 10 JFEE COc1cc(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)O2)ccc1B1OC(C)(C)C(C)(C)O1 2289565860 FJSXBWOFBYRSNP-KRWDZBQOSA-N 462.352 2.552 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1[N+](=O)[O-] 2328988559 BXAIFTDYNJYXRS-QGZVFWFLSA-N 487.586 2.753 30 10 JFEE CCCNC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330473565 ODPXJUHRPOOMCD-UHFFFAOYSA-N 454.512 2.983 30 10 JFEE CC(=O)NCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330742374 UITPZBZEIMIARP-UHFFFAOYSA-N 486.485 2.907 30 10 JFEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccc(OC)c2O)o1 2330752563 QTNXWDPFTVSYFK-UHFFFAOYSA-N 473.511 2.573 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2332306058 FTVWOKPREWGCJO-DSFVOBFGSA-N 450.385 2.689 30 10 JFEE CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337292020 MIHFVDYNWFASPJ-UHFFFAOYSA-N 450.389 2.533 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2337395636 CBGFEPBNPAUIKN-PEBXRYMYSA-N 463.409 2.962 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=c1[nH][nH]cc1CNC(=O)OC(C)(C)C 2352403182 WHWXPDVFWPMSPE-UHFFFAOYSA-N 462.381 2.778 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2366876119 MLYARSWDYLJASG-WBVHZDCISA-N 468.306 2.885 30 10 JFEE C=CC1(NC2(C(=O)O)[C@H]3COC[C@H]2CC(NC(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2378874222 DPHFQJKCAUQAOK-FMCBYZFLSA-N 481.590 2.525 30 10 JFEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCCC(=O)NCc2ccccc2)n1N 20911965 SFLIHCXXXLEICI-ZMOGYAJESA-N 455.592 2.631 30 10 JFEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)c1 21326312 TZVWSOMMLFCYTG-ZMOGYAJESA-N 471.543 2.585 30 10 JFEE COc1ccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72461289 ATBFXQGZRMYNSG-PXNSSMCTSA-N 473.489 2.776 30 10 JFEE Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc([N+](=O)[O-])ccc21 103461095 GZKUPWDGDMZIRM-FLFQWRMESA-N 498.546 2.707 30 10 JFEE COc1cc(/C=C\C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCC#N 107652774 SJSGUAVJYVJULF-FWFZHJKVSA-N 490.516 2.979 30 10 JFEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 238821398 CSOFSGHKRNKESH-RHSMWYFYSA-N 470.327 2.534 30 10 JFEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 481220893 BJHAOKVBSWJZKU-IBGZPJMESA-N 452.486 2.732 30 10 JFEE COc1ccc(OC)c(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)c2cccc([N+](=O)[O-])c2C)c1 585848982 COHNZHHXSZYHFP-CXBOONTCSA-N 453.495 2.911 30 10 JFEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccc(C)cc3)nc3c2c(O)nc(=O)n3C)c1 606630445 PTOBNONQLMAJAR-LJQANCHMSA-N 476.537 2.592 30 10 JFEE C#CC[C@@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cnn(C)c1)C(=O)O 757375988 LXBZIPFCZMHLCK-DHIUTWEWSA-N 472.501 2.593 30 10 JFEE C[C@H]1SC[C@@H](C(=O)O)N1C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757470583 JRNCRCUAJBYHEG-VFNWGFHPSA-N 450.516 2.903 30 10 JFEE COc1ccc(C(=O)CSc2n[nH]c(NN=Cc3cc(OC)c(O)cc3[N+](=O)[O-])n2)cc1 1084312901 OBHQZNPSTVSUFA-UHFFFAOYSA-N 458.456 2.857 30 10 JFEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nnc(SCC(=O)Nc2ccccc2)n1N 1084324933 MVEMKAHZBGKKTR-UHFFFAOYSA-N 490.597 2.729 30 10 JFEE CCN(CC)C(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084380231 GPNXXILMPCKOOI-UHFFFAOYSA-N 497.629 2.542 30 10 JFEE N#Cc1ccccc1N1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 1131866551 CLVMHCYTOPYDDK-UHFFFAOYSA-N 456.543 2.881 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2COc3cccc(Br)c3C2)c1 1152908979 IXOUZBBPRZIVJF-CQSZACIVSA-N 451.342 2.647 30 10 JFEE C=CC[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)C1 1197540771 LWXSFQVFXCYKFN-GOSISDBHSA-N 450.605 2.984 30 10 JFEE 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@]2(CCOC2)O1 1286305712 OXHZRKXYFDJCFG-SXVTUYLSSA-N 459.591 2.845 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1286310171 BUZZYSASUQOJJH-RBUKOAKNSA-N 490.530 2.722 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286341411 DPUDBFQFCGCTRL-RXVVDRJESA-N 454.600 2.632 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286382061 QEENTMXGSIWQBU-NRSPTQNISA-N 495.628 2.787 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 1286385776 PBJSTJYQNIABIQ-JOCHJYFZSA-N 480.638 2.938 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286388063 XLPXUIWSEZSDJM-ZWKOTPCHSA-N 455.609 2.907 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286392080 KQLUOIYBIJJVDF-WOJBJXKFSA-N 456.612 2.745 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393656 RGFSVZZSUPEIOE-WIYYLYMNSA-N 490.699 2.525 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1-n1nc(C)cc1C 1286415019 HXMCJFPILFMTOT-UPVQGACJSA-N 458.566 2.926 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NCC=C)CC1 1286472480 UERUGLRNDVMUPS-IBGZPJMESA-N 471.005 2.746 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(O)CC2)CC1 1286487932 IFOIHTFCFGHUJF-MRXNPFEDSA-N 457.962 2.562 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(F)(F)F)n2)CC1 1286490424 VBLRFLJLQSMGCI-UHFFFAOYSA-N 471.487 2.712 30 10 JFEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286542552 BHJKXDRYLBECCM-UHFFFAOYSA-N 475.435 2.619 30 10 JFEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286611025 FTTWXHDTFVGIQF-IRLDBZIGSA-N 453.587 2.627 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1286672887 ROSGFHMJKHZTCO-HXUWFJFHSA-N 492.665 2.957 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)cc1 1286765735 TUQZKQMOANKWDJ-UHFFFAOYSA-N 459.348 2.822 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286771299 IAVGPATXMPFZLA-SFHVURJKSA-N 461.588 2.543 30 10 JFEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)cc1 1286796696 ORUWIYLBYZYCTR-JOCHJYFZSA-N 466.586 2.856 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(N)=O)CC1 1286815451 VITDKIFSHRRPGD-UHFFFAOYSA-N 477.656 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286817459 SQVYVQURLIMQGM-RBUKOAKNSA-N 466.991 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286818938 UFIIRIOPHVAKSJ-IBGZPJMESA-N 498.653 2.731 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1286819120 AQNNOLHOFMIMRM-UHFFFAOYSA-N 456.572 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1286824066 UYDUXZUXUYGPCT-FQEVSTJZSA-N 485.614 2.508 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCN(C)S(=O)(=O)CC 1300446766 SEFVWQUXURVBCI-UHFFFAOYSA-N 472.384 2.588 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OCC(F)(F)F)nc1 1300455693 PCGLJECGRSFFGX-UHFFFAOYSA-N 483.454 2.646 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300485385 ZUTMOEHQXYFBTF-IFMALSPDSA-N 497.665 2.680 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1300487501 KCZIZPUMUWHOOG-KBMIEXCESA-N 498.605 2.698 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1300487946 NPFJQLJWDUNQRH-NRFANRHFSA-N 467.595 2.875 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1300489728 RHULDSFNJZXWIC-INIZCTEOSA-N 493.948 2.547 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nc(C)cs1 1300663461 CKQKIRSEQPPKDO-UHFFFAOYSA-N 477.594 2.964 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCOCC(F)(F)C(F)F)CC1 1300693250 VBZYRRHBOANKRT-UHFFFAOYSA-N 455.456 2.626 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1300725532 HVIZKOHEUBVPMF-NJYVYQBISA-N 457.619 2.589 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCc2ccccc2)CC1 1300764631 YUOHMUOGCKEDAU-HXUWFJFHSA-N 474.652 2.732 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(O)(C(F)(F)F)CC1 1300831261 UZQJEZDXFXMKIU-GFCCVEGCSA-N 457.291 2.804 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1300875994 QZRINEYQCPRAGY-NZQKXSOJSA-N 458.651 2.954 30 10 JFEE C=C(C)COCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301002295 YNNKKZSDPFXWJR-GBESFXJTSA-N 476.622 2.604 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301229100 GYPBRMLTXXDWSD-NRFANRHFSA-N 468.650 2.629 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1301339527 PCJNGRCBYSFOBA-IBGZPJMESA-N 465.558 2.818 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1301452551 RLMYIQAEYQMZTM-MRXNPFEDSA-N 453.609 2.592 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCc1ccccn1 1301482706 ARUKIGQKFGCICZ-UHFFFAOYSA-N 458.364 2.802 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301508681 QMLHJFIBWPLIMX-CRAIPNDOSA-N 467.492 2.530 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(=O)OCC)CC2)cc1 1301530194 QAPLVKYGVJEEDK-UNMCSNQZSA-N 485.585 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1301578541 DDRURRPCCFSFBY-UHFFFAOYSA-N 481.622 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1301587625 WATFQRWIPCSQSF-UHFFFAOYSA-N 494.621 2.720 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1312618368 XPKHFIKEYHQOIP-DENIHFKCSA-N 458.584 2.622 30 10 JFEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1313476293 FXFIUCUBHKNMDC-UHFFFAOYSA-N 480.642 2.736 30 10 JFEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1313476328 HDNFYSGRSJGPPA-LJQANCHMSA-N 478.557 2.817 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1314740776 AQQDJVSRSNFVAM-FQEVSTJZSA-N 472.615 2.555 30 10 JFEE COc1ccc([C@H](C)CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1315369982 FDQYPUXCBBHAQP-WHSLLNHNSA-N 464.567 2.533 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C(F)(F)c2ccccc2NC(C)=O)c1 1351602175 SNKAYHZJXZGRPL-UHFFFAOYSA-N 455.461 2.610 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC(=C)Br)c1 1358903531 ARAQOGACNMEXTD-PXNSSMCTSA-N 488.386 2.967 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1358911841 DSDUCFCTGOQBJL-OAQYLSRUSA-N 478.645 2.949 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ncccn2)CC1 1358922107 UGOVZWSTKVUROW-UHFFFAOYSA-N 455.364 2.576 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1358958456 OLDMOBLQIWMSGO-INIZCTEOSA-N 493.561 2.986 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358959507 KHYWRKRNRKJBAV-UXHICEINSA-N 473.618 2.833 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358966082 HOXNGIDXZFCAES-DHLKQENFSA-N 470.639 2.935 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOc1ccccc1 1358975956 LCFQFLCFGWTTHW-UHFFFAOYSA-N 462.579 2.780 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1359007676 RDBUQNWWDFBPSS-UHFFFAOYSA-N 488.596 2.877 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1359014987 DNWLATXBOUPLNU-IBGZPJMESA-N 475.528 2.619 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359038595 BRSYROSARDOVSP-RUZDIDTESA-N 467.545 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nccs2)CC1 1359047642 OBGYTVZIOMCBQN-IEBWSBKVSA-N 456.616 2.667 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359047998 AYYKRVXXHXRVNI-LJQANCHMSA-N 481.582 2.783 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359094324 ZNJJPGFGBHOSGS-UNMCSNQZSA-N 484.626 2.706 30 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453.358 2.941 30 10 JFEE C#CCN(C(=O)NC[C@H]1CCCCS1(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1469523163 FHBCQXCOHYPBMQ-NVXWUHKLSA-N 455.374 2.885 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCCO[C@H]3C(C)C)nnc12 1472520469 WIGDTINYPGJJAY-UZLBHIALSA-N 455.584 2.890 30 10 JFEE CCOC(=O)c1c(NC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(C#N)cn1CC 1476760324 DCHPCMHPZFZCPO-SFHVURJKSA-N 453.499 2.996 30 10 JFEE CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1501295845 DLXRCHGGSDFFPF-NRFANRHFSA-N 472.615 2.638 30 10 JFEE CCNC(=O)C1(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1502407398 FCRJYTSTCWDWEM-HSZRJFAPSA-N 456.522 2.614 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(SC)CCN(C)CC1 1502913941 FSZRIXOUGSUERC-IBGZPJMESA-N 486.642 2.812 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1504139033 AUEWPJGBCRSMGW-PXARDIRTSA-N 476.375 2.996 30 10 JFEE CS(=O)(=O)Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)cc1 1505130402 GKXCEZUVSBJJPN-UHFFFAOYSA-N 450.568 2.597 30 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CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268637935 GNIBOFHIOAIEDE-RHSMWYFYSA-N 466.409 2.593 30 10 JFEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2268639705 RBJFRGQYPGVKTR-HOCLYGCPSA-N 468.425 2.900 30 10 JFEE Cc1cc(CNC(=O)[C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268653691 QGGLNYIHUOTKQZ-HZPDHXFCSA-N 466.409 2.654 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2COC2)s1 2268664060 QYFHWCAICCPRSD-QGZVFWFLSA-N 466.409 2.512 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(F)F 2268672794 VUWZWKIVFJWIKN-LBPRGKRZSA-N 475.367 2.949 30 10 JFEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2268720279 SBPXAFJTKDYHHG-CQSZACIVSA-N 466.409 2.860 30 10 JFEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)[C@@H]1CCOC1 2268720771 BEQJTMIWLVWQJJ-MSOLQXFVSA-N 450.385 2.954 30 10 JFEE CC(C)[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268779220 YJKBKJJHURHYME-NYHFZMIOSA-N 465.425 2.998 30 10 JFEE Cc1c(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796530 MPOVILRITIMGEI-UHFFFAOYSA-N 462.400 2.593 30 10 JFEE Cc1c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281805905 FLGHNYMETSHMNM-FQEVSTJZSA-N 454.424 2.914 30 10 JFEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](O)COCc2ccccc2)c1 2281807795 NBYCXWTVTNBITF-IBGZPJMESA-N 455.360 2.644 30 10 JFEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)n1 2281951176 GQYSQYCMWAWFEW-UHFFFAOYSA-N 461.303 2.853 30 10 JFEE Cc1c(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992099 JWBSGHQVOSTXFD-INIZCTEOSA-N 462.400 2.547 30 10 JFEE CC1(C)OB(c2cc(C(=O)N[C@H]3CN(Cc4ccccc4)[C@]4(CCOC4)C3)ns2)OC1(C)C 2281997271 ZLJNMSDBBAMLQT-HOYKHHGWSA-N 469.416 2.606 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(F)(CNC(=O)OC(C)(C)C)C2)n1 2282039377 UQFQLFSOXVMKQC-UHFFFAOYSA-N 463.359 2.814 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282181962 NBVBYRAZTGSOPY-SJORKVTESA-N 457.380 2.995 30 10 JFEE CO[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2282537751 VOXTYOGFXOTYKU-QMHKHESXSA-N 464.368 2.723 30 10 JFEE Cc1c(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555424 SVKPVWIOAGVPOZ-JKSUJKDBSA-N 462.400 2.593 30 10 JFEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282621359 RBUWPTKNDODTDC-MOPGFXCFSA-N 450.392 2.758 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282623413 PHXHTHBRRQSIAX-TVNOUSRMSA-N 458.364 2.953 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282625137 RFIOCFCCRBQYTI-QGZVFWFLSA-N 460.384 2.685 30 10 JFEE COC[C@@]1(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2282628573 VLSNYKUGOYQCBN-QHCPKHFHSA-N 464.368 2.725 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C2(CC1)CC2 2282678799 QZAPRCPXEWFQJR-UHFFFAOYSA-N 457.380 2.996 30 10 JFEE Cc1cc(S(=O)(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)sc1B1OC(C)(C)C(C)(C)O1 2282835711 AQEGRTPFHAQTGA-HUUCEWRRSA-N 498.476 2.842 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282838983 XEDQAWQNUDESLQ-GOSISDBHSA-N 480.436 2.972 30 10 JFEE C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2283944515 OHHSFBMILXSEQJ-ARFHVFGLSA-N 480.436 2.842 30 10 JFEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2284037235 FXQFZRKUHSEFRH-OAHLLOKOSA-N 482.818 2.818 30 10 JFEE C[C@H](NC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2284059729 VIKDFIIIIFIPCZ-HDMKZQKVSA-N 480.436 2.985 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2285205085 WJIUFSBRGRRABL-ROUUACIJSA-N 457.380 2.532 30 10 JFEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315695330 MGGZAJZPNUTUCX-HIFRSBDPSA-N 451.398 2.818 30 10 JFEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N[C@H](C)c2ccccc2)c1 2330793182 IDKKWQHJJIBSJV-MRXNPFEDSA-N 466.567 2.775 30 10 JFEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353471 WSEZDUKQFWPSIC-INIZCTEOSA-N 462.400 2.581 30 10 JFEE N#CC12COC(CS(=O)(=O)c3cc(I)ccc3Br)(C1)C2 2363612145 WIMTWRHBDMNDQG-UHFFFAOYSA-N 468.110 2.900 30 10 JFEE Cc1cc(CN2CCN(CCNC(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2369727684 CULJXBRIUVQSCH-UHFFFAOYSA-N 459.440 2.937 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2371995396 ACZKTKXZQHGKRB-GAJHUEQPSA-N 464.343 2.925 30 10 JFEE Nn1c(N/N=C/c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20528304 IFSOTUKBNRQTLK-LSHDLFTRSA-N 459.919 2.593 30 10 JFEE N#Cc1cc(I)c(Oc2nc[nH]c(=O)c2Br)c([N+](=O)[O-])c1 165729606 NPDLWUVLCFROEO-UHFFFAOYSA-N 462.985 2.709 30 10 JFEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)NC2CCCC2)[nH]1 253568635 LLUFPBDWOFNQJJ-YDZHTSKRSA-N 467.603 2.962 30 10 JFEE Cn1c(=NC(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2ccccc21 254867523 JNBHLHQOUYWSET-UHFFFAOYSA-N 453.549 2.799 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 521111564 XXVDXBWAFJZZLB-SFHVURJKSA-N 462.528 2.815 30 10 JFEE CN=c1scc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1N=Cc1ccc(S(C)(=O)=O)cc1 727972612 XZGMNQAMFDRXAX-CYBMUJFWSA-N 456.549 2.752 30 10 JFEE CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2CCOCC)cc1 729669315 KOQNRAJVFOVONV-UHFFFAOYSA-N 486.597 2.932 30 10 JFEE CC#CC[C@H](NC(=O)[C@]1(C)COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757202510 UIBCTFPWHNVKGE-QHWMMSMNSA-N 476.529 2.913 30 10 JFEE COc1cc(C=NNc2nc(SCC(=O)NC3C4CC5CC(C4)CC3C5)n[nH]2)ccc1O 1083920301 KKEVQVRTSZVYCC-UHFFFAOYSA-N 456.572 2.998 30 10 JFEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)SC1=Nc1ccc(S(N)(=O)=O)cc1 1084279196 IVUKEEFFOOANSU-SFHVURJKSA-N 458.565 2.789 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc(Cl)ccc2O)n1)NCc1ccc2c(c1)OCO2 1084648334 CSDQWYDXVGGTNS-UHFFFAOYSA-N 460.903 2.747 30 10 JFEE C=CCn1c(SCC(=O)N[C@@H](CO)C(=O)OCC)nnc1-c1ccc(Cl)cc1Cl 1137624145 UJSXHZDCHZMUHF-AWEZNQCLSA-N 459.355 2.570 30 10 JFEE CCOc1cc2c(cc1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)O[C@@H](C)C2 1143582050 HEFWXOJHAAUEAU-GJZGRUSLSA-N 457.552 2.542 30 10 JFEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1155641760 DQWALCBOCBHHLA-KRWDZBQOSA-N 458.559 2.787 30 10 JFEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(C#N)cn1CC 1206508379 GCGPEICCEAVBNZ-WOJBJXKFSA-N 453.543 2.561 30 10 JFEE CN(C(=O)COc1ccc(C#N)c(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 1270668097 HREOGWSMGRNQLD-UHFFFAOYSA-N 452.330 2.613 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN(C)CC(F)(F)F 1286303827 SSIYVZLTWFRKHX-FQEVSTJZSA-N 477.579 2.595 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N(C)C2CC2)c1 1286311790 QBBQOADSILAXAM-QUCCMNQESA-N 450.587 2.711 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1286340073 TXEFFAYLRROUJQ-GOSISDBHSA-N 497.625 2.591 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286350107 VGSHYENAJYINJY-ROUUACIJSA-N 459.547 2.920 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1286380682 COGNZYBURJEFNY-IBGZPJMESA-N 469.611 2.906 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286392083 AKGNDKNNMPZDMC-GOSISDBHSA-N 486.619 2.797 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286398695 MQUKNNWRDBWVBP-IYWMVGAKSA-N 466.648 2.639 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1CCN(CC)CC1 1286421482 PLUGDJSAZDWZBK-UHFFFAOYSA-N 467.639 2.934 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOc1ccc(C)cc1 1286429991 FFCIEZUXOVPRQT-OAQYLSRUSA-N 454.596 2.811 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(Cl)cc2)CC1 1286473812 XWNUAKUKEWEHJU-DEOSSOPVSA-N 474.005 2.806 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1286483790 YYSYTPOTFOISHH-GOTSBHOMSA-N 464.658 2.706 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1286489460 UCDYOMLTZCFBBF-NRFANRHFSA-N 499.059 2.921 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CN(CC)CC)c2)CC1 1286490044 KAVVHIOSWYKQIU-UHFFFAOYSA-N 488.640 2.535 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1286505129 VOKJTESNCHDDOR-LEWJYISDSA-N 452.628 2.696 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286620557 OHVSEECGQGDGCG-DOTOQJQBSA-N 493.395 2.588 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286693560 UJSXAJASZUAXJK-KKSFZXQISA-N 468.023 2.692 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cccs1)C1CC1 1286735087 NFIGFGBFTGCJEJ-UHFFFAOYSA-N 471.608 2.995 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1286780340 NHCRKJYJKFQMFD-SJORKVTESA-N 474.993 2.692 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286818999 WBPJJZSQUVWBOT-UHFFFAOYSA-N 489.045 2.860 30 10 JFEE CC(C)C(=O)NCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1287138293 HBOJIECLUPWKRH-OAHLLOKOSA-N 467.357 2.665 30 10 JFEE CC[C@@H](C)N(C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1291782483 DOBYSWKQFWYICP-OAQYLSRUSA-N 478.645 2.719 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)ccc1F 1299726571 VXKHVHVYVXLUOM-DLBZAZTESA-N 455.552 2.712 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1300485082 WPOAEAZSOWIENE-GOTSBHOMSA-N 480.638 2.708 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300498540 LKEOCKRFTDRLGA-IRLDBZIGSA-N 487.645 2.755 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nccc(C(F)F)n1 1300559151 KKZFPQGPHBEVCM-UHFFFAOYSA-N 498.563 2.785 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1noc2c1CCCC2 1300561152 MIMBQQKWKOGBLP-UHFFFAOYSA-N 492.605 2.573 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300665743 PHAXQQRJDITHCA-NQIIRXRSSA-N 492.045 2.889 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1300697774 JMEMXRYDRUOGFF-OAQYLSRUSA-N 469.586 2.543 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(F)c2F)CC1 1300719736 OFUWNMYTOHVRAB-UHFFFAOYSA-N 450.493 2.827 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(OC)CCC2)CC1 1300729250 SDPVIFUDOZTTAB-UHFFFAOYSA-N 456.616 2.559 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(OCC)c2)CC1 1300731479 GDNQPUKSBBNHHS-OAQYLSRUSA-N 467.570 2.551 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1300778766 HXWCPVPIBLWNIW-UPVQGACJSA-N 497.665 2.568 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1300833907 FXBCELSKIZUIOF-OLZOCXBDSA-N 471.377 2.840 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1300872849 DGROALXQMHMYLU-XPGWFJOJSA-N 475.977 2.540 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccn(Cc3ccccc3)n2)CC1 1301105370 IEXZXSNVYQYYSX-SFHVURJKSA-N 469.615 2.584 30 10 JFEE C=CCC(C)(C)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301159270 XOUNCWNSJFWYHO-YADARESESA-N 460.623 2.961 30 10 JFEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1301229542 SZPVZVDKHXJFMX-QFIPXVFZSA-N 465.646 2.571 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COCCO1 1301349140 FUTNWKGFEFFKCS-SFHVURJKSA-N 452.490 2.673 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1301354753 ILLQMHOMLQNHRI-LJQANCHMSA-N 458.563 2.717 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCOCC2)CC1 1301451907 FQPHIEJWGJJVEQ-IBGZPJMESA-N 460.623 2.880 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301492268 CLSMNOBBHGVJKQ-MJGOQNOKSA-N 484.601 2.995 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)OC3(CCOCC3)C2)cc1 1301521098 ZUVPJNUZEFOKAE-IBGZPJMESA-N 469.586 2.804 30 10 JFEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)C1 1302427169 GCSDYVSJIWKMRI-NRFANRHFSA-N 484.626 2.623 30 10 JFEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1303582747 HHYKHLMNEUAOPY-NRFANRHFSA-N 484.626 2.698 30 10 JFEE COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(C#N)c(Cl)c2)c(O)nc1=O 1347864919 GUHHRFHIUFQZSE-UHFFFAOYSA-N 453.886 2.550 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CC1(N2CCOCC2)CC(OCC)C1 1358895722 POXXZPIFNANDTE-LAJDMCDJSA-N 451.615 2.791 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1358929640 FBZVWYQNMQNLBI-PMACEKPBSA-N 488.633 2.885 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1358929643 FBZVWYQNMQNLBI-WOJBJXKFSA-N 488.633 2.885 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)SC 1358981343 GRMNBCAKZGVFQP-UHFFFAOYSA-N 450.656 2.857 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1358989330 YERIPSXZMFYRDF-KRWDZBQOSA-N 459.337 2.703 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@](C)(O)CCOC)CC1 1359042102 RLRHMLJMCAYYHN-HFJWLAOPSA-N 499.681 2.885 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN(C)CC(F)(F)F)CC1 1359046871 JAZMGFPRLMAYCT-UHFFFAOYSA-N 476.547 2.523 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN(CC)CC)CC1 1359047928 YWPRZWVNKZKVAZ-FGZHOGPDSA-N 472.678 2.894 30 10 JFEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359056461 FTVMWISCPUJWNA-GBESFXJTSA-N 461.632 2.842 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359058840 RFMIQINQHQGTTE-YKSBVNFPSA-N 498.672 2.753 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359103453 OMCDJYPXNFYUKH-JQVVWYNYSA-N 488.633 2.827 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1359142875 PTDOSJHROISUDM-TZIWHRDSSA-N 489.020 2.682 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359210439 SXHDEKSDUFABSV-JPYJTQIMSA-N 475.615 2.546 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1359263724 JYBDNYZQTQCRSK-HXUWFJFHSA-N 488.639 2.503 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCS(=O)(=O)CC2)C1 1359315815 CCJQSBLIVQNCMK-LJQANCHMSA-N 476.599 2.568 30 10 JFEE C=CCSCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359346854 XXBJZFDHYVWNLQ-JTSKRJEESA-N 467.636 2.953 30 10 JFEE CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1359768749 FJBDUXNSBIYEKK-RPWUZVMVSA-N 492.672 2.789 30 10 JFEE C=C(C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 1435950620 HHNCZDXMFBKGRY-OAQYLSRUSA-N 451.495 2.977 30 10 JFEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)on1 1493153036 IFWIYHNNNFTQER-GOSISDBHSA-N 463.542 2.767 30 10 JFEE CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1)N1CCCC1 1497210111 ALZBTVVHQOGZNF-HXUWFJFHSA-N 456.616 2.963 30 10 JFEE CCN(CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F 1502200918 BQBANFNHVUWWAI-SFHVURJKSA-N 466.508 2.881 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1504748746 HPXBCJFQSZBMKV-LOYIFYEOSA-N 495.672 2.599 30 10 JFEE N#Cc1cccc(OC2CCN(c3nnc(-c4ccc[nH]4)n3CC(=O)NCC(F)F)CC2)c1 1505316993 HVUPHUKVAOVCJU-UHFFFAOYSA-N 455.469 2.574 30 10 JFEE N#Cc1ccccc1N1CCN(c2nnc(CN3CCCC3=O)n2CCSC(F)(F)F)CC1 1505319629 DSSIXPHHIUKEHX-UHFFFAOYSA-N 479.532 2.852 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(C)C)cc1 1507670129 XYASWFVDOGKRII-NRFANRHFSA-N 454.596 2.726 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)CC1CCOCC1 1507751404 NXFDGWCRLQSZGF-JOCHJYFZSA-N 488.679 2.980 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1507754911 QBPPZUDAOPENAE-CTNGQTDRSA-N 452.628 2.696 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1507847559 ACASAOCNEUPJRF-UNMCSNQZSA-N 487.576 2.696 30 10 JFEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCO)CCOCC(F)(F)F 1507864604 YPXPKFGUHGGJPK-UHFFFAOYSA-N 472.855 2.724 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507895569 AAQOIYNCFWJRJA-MJGOQNOKSA-N 496.678 2.938 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2cnc3ccccc32)CC1 1507897907 UGWGPTPYVUETLG-QGZVFWFLSA-N 457.604 2.731 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507910568 VTWOCHVCGLTHJU-UHFFFAOYSA-N 465.602 2.542 30 10 JFEE C=CCn1c(N(C)CC2CN(C(=O)OCc3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1508066505 SVGPQGUCJNTXED-XMMPIXPASA-N 455.559 2.821 30 10 JFEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1508070708 FGAGIFNMRSUGIA-IBGZPJMESA-N 459.547 2.782 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1508130387 HOQHPPAQPUBOCN-QGZVFWFLSA-N 480.491 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1508143276 KMNKIFZTGDZBQE-FQEVSTJZSA-N 472.590 2.874 30 10 JFEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1508163638 WBYHOQDNGQKDFY-IAGOWNOFSA-N 453.609 2.731 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1539220547 KVGYQQQNNWDCRH-PMACEKPBSA-N 458.584 2.512 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(O)c1 1539299695 LRROJIOUGQDRGQ-UHFFFAOYSA-N 462.579 2.763 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1539337075 CRRBHWVSUVHLOX-OYRHEFFESA-N 484.645 2.623 30 10 JFEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cccnc1N1CCOCC1 1539370362 AAMVNWQSCGQWSK-UHFFFAOYSA-N 452.509 2.887 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncnn1C(C)(C)C 1539400452 DZUSIMZDUGCLNV-UHFFFAOYSA-N 461.368 2.517 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1539430942 PEAPMSYVYCDWJY-XZOQPEGZSA-N 497.663 2.586 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1539484677 ZBBVXKFNWNCQHB-UHFFFAOYSA-N 490.530 2.775 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1539526464 PAOBHSOMFGSZOK-UHFFFAOYSA-N 490.655 2.693 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C 1539580160 HBWNTKUZJWFSEP-MRXNPFEDSA-N 492.403 2.727 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC)CC1 1539619712 HGPDTJMNMGMZOV-HKUYNNGSSA-N 456.503 2.723 30 10 JFEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1540027873 DTBJTVQDURJMOD-HXUWFJFHSA-N 493.616 2.645 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1)C1CC1 1540095466 QIUZKIBKNWSWKI-SFHVURJKSA-N 459.616 2.792 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1540121344 RMKBOMBRNPYDJM-GOSISDBHSA-N 471.558 2.964 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540866311 JJDXMFBHAGICPW-DZGCQCFKSA-N 454.358 2.794 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1540873478 YVFVPKYSJGBXFB-SFHVURJKSA-N 481.626 2.898 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2OC)C1 1540881660 PCVAHNORPCYFKV-OALUTQOASA-N 455.559 2.772 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1540917172 PFSFROVFSGPCDG-LEWJYISDSA-N 475.684 2.810 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CC)c2)C1 1546815982 HCNKNJGPMIVTDH-NRFANRHFSA-N 476.585 2.879 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2cc(C)n(C)n2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375738 WQASTMJPFYENMY-IBGZPJMESA-N 488.514 2.724 30 10 JFEE CCOCC(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)N(C)C)CC1 1548397432 RSBCOOUEHATZDM-VQTJNVASSA-N 480.531 2.993 30 10 JFEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)C1 1555793859 BZIMPSIWOIWHCZ-NRFANRHFSA-N 450.568 2.858 30 10 JFEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1555989581 BPBJIMZBPFXYOW-HNNXBMFYSA-N 469.489 2.709 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C#N)CO)c1 1556608018 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C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588059081 JAMSTRRAMUGJJM-OFVILXPXSA-N 488.629 2.966 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588074710 PUJPZCPEBTWOKD-RTBURBONSA-N 490.651 2.775 30 10 JFEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCN(CC)S(C)(=O)=O 1588297702 DQOIOFJFPMQRJO-UHFFFAOYSA-N 468.421 2.839 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1588481179 HDIYCHWJUQXFHS-OAQYLSRUSA-N 487.530 2.814 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@](C)(O)CC 1588594003 DUFWNTAIZZTGLK-FQEVSTJZSA-N 451.365 2.963 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1588848989 UGAJQIQGYQIZEO-UHFFFAOYSA-N 458.614 2.739 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588871828 RSYFHBDGCCQLEN-ZRZAMGCNSA-N 480.657 2.674 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1589089021 MRZXXEZCMNMGDV-UHFFFAOYSA-N 464.570 2.732 30 10 JFEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1593660438 NPJMLYPEBZVAPA-UHFFFAOYSA-N 478.641 2.970 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1594454098 BPIYWFXCEYRVRC-YLJYHZDGSA-N 472.615 2.940 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1595523018 MOBONCLFJPPNBH-UHFFFAOYSA-N 478.553 2.556 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCSC(CC)(CC)C1 1595561868 FJDTVDHQPJSYIT-UHFFFAOYSA-N 453.616 2.931 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](OC)C(F)(F)F)C1 1595672753 CYSQXFXRESXXDB-CABCVRRESA-N 454.453 2.674 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1595972306 LHWDXQVQPXXGCI-JTHBVZDNSA-N 451.548 2.588 30 10 JFEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1596297226 MGZKTTIRXISEMQ-UHFFFAOYSA-N 463.611 2.603 30 10 JFEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CCCCC1 1619652829 DIJKMGDHRFTKEW-LJQANCHMSA-N 466.586 2.993 30 10 JFEE CSC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1620186127 HRPUFBBWLLTBIQ-GOSISDBHSA-N 474.656 2.520 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C2)cc1 1622886899 XWGYANGXDLCEGU-UONOGXRCSA-N 463.478 2.698 30 10 JFEE C#CC[C@]1(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CCCN1C(=O)OC(C)(C)C 1635465703 XEFKROJLHWAPRL-HSZRJFAPSA-N 453.547 2.591 30 10 JFEE CCOC(=O)c1c(NC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c(C#N)cn1CCOC 1660530064 HOYBDEGUYXUBGH-UHFFFAOYSA-N 455.515 2.902 30 10 JFEE CN(C)S(=O)(=O)c1cccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 1668217493 FPHSWWKYRDERKW-UHFFFAOYSA-N 458.931 2.969 30 10 JFEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cc(Br)cnc3-n3cccn3)C2)nc1 1668671243 AUEBROOAYHXPAC-OAHLLOKOSA-N 454.288 2.982 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1cccc(F)c1 1689846465 KKGGCLZNXCKUOE-MRXNPFEDSA-N 456.547 2.914 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1689986926 ZUCZTQLBIGKZOO-PMACEKPBSA-N 473.618 2.975 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCCC)nc1 1690013105 BOFBDIDIVIDYKG-UHFFFAOYSA-N 477.594 2.543 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC1CC1 1690039567 KPJCQKKKNMXGEA-UHFFFAOYSA-N 458.335 2.836 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1690063442 DGSXTKXOEJRZFD-URXFXBBRSA-N 471.627 2.860 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(CC)CC)cc2)CC1 1690132531 SCCLIFAFAGEMHW-UHFFFAOYSA-N 460.630 2.789 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690183239 QRIIMPCQHDNLEZ-UHFFFAOYSA-N 486.667 2.617 30 10 JFEE C#CCSCCn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1690187071 ZTRMEOKPHKQEQQ-WZONZLPQSA-N 479.647 2.742 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCCn1cc(CO)nn1 1690198169 GALMAGWYKYEJFL-RUZDIDTESA-N 479.585 2.907 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CCOC 1690206121 IAEHUEOJUSIBRI-CJFMBICVSA-N 490.649 2.547 30 10 JFEE C=C(Br)Cn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690234435 DLGGYWUVDDRHGP-HXUWFJFHSA-N 486.411 2.896 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 1690239142 RYEUCSHZHRWNOG-WMLDXEAASA-N 479.379 2.905 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690246431 ULORPNZCBCBUIT-SXLOBPIMSA-N 451.637 2.683 30 10 JFEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690292701 MPSWVNGEAVFZGL-QFIPXVFZSA-N 466.630 2.999 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690321474 CDPGFKGHMUMZFY-FPOVZHCZSA-N 489.642 2.927 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690441703 FDCJBFYCCDZPMK-WOJBJXKFSA-N 488.677 2.972 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690475176 IDLPPJRCRFQLKU-SFHVURJKSA-N 492.609 2.692 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1690597104 JRIRBGANJHGBPB-SFHVURJKSA-N 474.606 2.811 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1690661275 YPUBTXQPQYWIMG-MHECFPHRSA-N 455.559 2.736 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)C1 1690795818 FOWCYGAAMQHFEU-IBGZPJMESA-N 465.583 2.733 30 10 JFEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1693157387 BAGXHOUOUCIKMD-ZWKOTPCHSA-N 462.645 2.899 30 10 JFEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1)OC 1695114585 CKHPGWJGODCEJX-FQEVSTJZSA-N 456.547 2.822 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1705490405 JZDJXRSDEFQRCC-SFTDATJTSA-N 491.640 2.880 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1705505408 NKWRFJJXEQJLKO-QHCPKHFHSA-N 489.624 2.697 30 10 JFEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705519677 SPDPNUYYLBJDEU-UHFFFAOYSA-N 453.591 2.871 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1705535882 BKWMLOZVUGKCHB-WOJBJXKFSA-N 483.686 2.674 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564743 CMAGULJLPYKMGA-KNQAVFIVSA-N 483.594 2.898 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(-n2cncn2)nc1 1705601434 JARFFEZKEFHGOF-UHFFFAOYSA-N 472.940 2.997 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1705648587 YUIVIBXPKXFLHZ-IBGZPJMESA-N 495.628 2.870 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705693413 GGXUBTCBTXRJLL-XPNTWCBSSA-N 488.677 2.726 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(Cc2ccccc2)CC1 1705707072 DPFPNPGEPLHVAD-UHFFFAOYSA-N 465.646 2.734 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705739690 NNAHIPFDOIORIA-UHFFFAOYSA-N 481.601 2.952 30 10 JFEE C=CC[C@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)c1ccccc1 1705798377 QTWKGOBGLYVHDQ-HXUWFJFHSA-N 464.614 2.863 30 10 JFEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1706189054 GFIXHGSOMFTQHE-UAIZEJDJSA-N 474.606 2.667 30 10 JFEE CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1708766462 AFYSWIGVAHVYIO-IBGZPJMESA-N 452.559 2.859 30 10 JFEE CCS(=O)(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1 1710899985 AVUJZTYMGNMDRZ-UHFFFAOYSA-N 469.571 2.669 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C(N)=O)CCOCC1 1722284748 LVLSRSYQECZLOX-GOSISDBHSA-N 463.538 2.857 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCN(c2ccccc2)CC1 1722305144 DMUSDPUIQBSZCV-GPXNEJASSA-N 466.630 2.672 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722360094 RXTWBXWEJRSMSU-ZBFHGGJFSA-N 470.567 2.925 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1722441501 RWYUITJRKKGWLN-OAQYLSRUSA-N 454.594 2.983 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccs2)CC1 1722443436 IUBINFFJGWLNBO-UHFFFAOYSA-N 474.388 2.506 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2cscn2)CC1 1722455260 QXKKXXXQHUTHDV-UHFFFAOYSA-N 469.596 2.998 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722465110 YWOWMROTROMGNV-OALUTQOASA-N 476.672 2.768 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1722537823 RJRMRKVXPRQJPU-NRFANRHFSA-N 471.577 2.795 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2Cc2ccccc2)CC1 1722559787 IKTLXXGFTWBJMC-CTNGQTDRSA-N 458.632 2.709 30 10 JFEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722602777 JETMKWISOHASNK-UHFFFAOYSA-N 464.549 2.991 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1722660504 XCCOHUKDSZAOFL-UGKGYDQZSA-N 469.609 2.587 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C 1722668118 ZMFOLQFYMUQMEL-VXKWHMMOSA-N 492.734 2.799 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1722686250 VALPTQLUHAWGFN-MOPGFXCFSA-N 457.579 2.681 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722686439 YJQSACVVMOWICL-OAQYLSRUSA-N 473.666 2.795 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1722687830 MQLZOQQOPIKOLD-UHFFFAOYSA-N 472.521 2.696 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(NC(C)=O)CC1 1722689528 UXEYCDMWUCXAJJ-UHFFFAOYSA-N 479.610 2.784 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722749117 DGONRIDRAJGFOF-LJQANCHMSA-N 483.594 2.937 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740614120 GPJCDBISCFTEOQ-UHFFFAOYSA-N 463.561 2.651 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@]2(O)CCO[C@H]2C)CC1 1740691310 YYCCEXVBPXYFKS-ZYLNGJIFSA-N 488.032 2.983 30 10 JFEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740714941 OYNPHVIWUHNTJJ-UHFFFAOYSA-N 454.629 2.837 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740720885 QIBNRIWJGYIDBX-HXUWFJFHSA-N 486.711 2.820 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1740751790 OPVLNDMVMFOHGH-JVSAHFFESA-N 483.613 2.967 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740807455 AWUNEMPNLJCAEG-UHFFFAOYSA-N 458.357 2.986 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(-n2cncn2)nc1 1740892897 PQSJAIJHKVTYIM-UHFFFAOYSA-N 454.336 2.692 30 10 JFEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1)C1CC1 1740906292 ILUFBKABEUYQRA-JOCHJYFZSA-N 452.603 2.953 30 10 JFEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC1 1740907346 UBSYHTDSXPTEQE-FQEVSTJZSA-N 452.559 2.737 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740950349 HJXQJEQTIHPHEF-IBGZPJMESA-N 499.616 2.893 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1740968332 HWUCIWWMJCIATL-IBGZPJMESA-N 488.658 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1740992147 BMPGMFKSKCGVJN-UHFFFAOYSA-N 466.970 2.632 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740993586 FLZCFGQOPQRITH-XZOQPEGZSA-N 464.632 2.858 30 10 JFEE CCCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1745790781 BSAULWMSULZWIK-IBGZPJMESA-N 465.327 2.684 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1748730510 MMIOAMOYHRFGSV-QHCPKHFHSA-N 455.584 2.576 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1748739170 YLEFJRDIOFXTAF-NRFANRHFSA-N 463.973 2.756 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1748763128 XNJIYHTXPAWTKU-QHCPKHFHSA-N 458.584 2.684 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCn1ccnc1C 1748772236 RGUGDHKBEXHEKQ-UHFFFAOYSA-N 454.604 2.601 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCCCO2 1748789463 KRFBODOEOJFKKS-IBGZPJMESA-N 483.569 2.866 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1748804689 JVXSHUNZHODKKG-MJGOQNOKSA-N 478.590 2.857 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748834085 CWTJJMCZLCFNNZ-SFHVURJKSA-N 451.880 2.934 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1748908253 WOFSGJJGAAPPJZ-ZEQKJWHPSA-N 467.614 2.679 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H]1OC 1748945607 VOYUTJKDDIVEQS-QKNQBKEWSA-N 460.575 2.774 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)CN2CCCC2)CC1 1748979052 UFXINEZELIFJIH-UHFFFAOYSA-N 474.451 2.913 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OCC)cc2)CC1 1748979163 VVJURKXVKXTNJC-RUZDIDTESA-N 453.587 2.521 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1749008638 FNDPVEBVXJJJSE-UHFFFAOYSA-N 469.899 2.575 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749023218 QHAQZDRVISUVDK-OXQOHEQNSA-N 478.018 2.779 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1749024005 BSAWXKNEPJPHNT-DLBZAZTESA-N 479.697 2.892 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749027666 RDFHHBJHUDXTPF-OAQYLSRUSA-N 450.612 2.732 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1749037832 GQTQJDLHFLOJCF-PKOBYXMFSA-N 481.043 2.778 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749092037 LXZZIXQPKQEUQM-KKSFZXQISA-N 498.429 2.714 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1749193743 OHCBDHYXPJLIQT-KRWDZBQOSA-N 473.521 2.842 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1749285383 HUUGUFDAVQSVTE-UHFFFAOYSA-N 452.603 2.830 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749369240 ZPOBLPRGOWPRHC-OAQYLSRUSA-N 492.734 2.777 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1749554487 UAFMZPSGDIQXKU-SFHVURJKSA-N 479.672 2.545 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)C1 1749712465 IWXWVLVJQFUOCI-UXHICEINSA-N 462.641 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749723991 FJNFNLPQFIIMQV-KRWDZBQOSA-N 466.007 2.504 30 10 JFEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1750202427 GIESMCOJQDPLAI-LEWJYISDSA-N 487.626 2.806 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760155169 RLZOZFMKBUXXGJ-RBUKOAKNSA-N 458.559 2.832 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cccc(N2CCOCC2)n1 1760162607 BODCHQNYFQDPCH-SFHVURJKSA-N 450.518 2.907 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)OC(C)(C)C 1760212239 RQIVABUFLFZRGB-DEOSSOPVSA-N 459.591 2.696 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1760228053 UAKWKVTXIQGSGO-NVQXNPDNSA-N 481.597 2.944 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1760251011 PUMNPKZZHAGIKZ-UHFFFAOYSA-N 489.624 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=C)C)CC1 1760270508 YRECKUIJHALINN-FQEVSTJZSA-N 470.618 2.935 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)C1 1760315782 IULIZSKJYDDMMN-PMXSJFBMSA-N 459.616 2.863 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760323717 FOFDEJKWCHSAIP-QTEQDKRBSA-N 452.603 2.938 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1760341554 JAGDIRYXUFWTJB-RHSMWYFYSA-N 484.420 2.805 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1760432353 IDDXOSCTSXNPTI-OAHLLOKOSA-N 499.012 2.609 30 10 JFEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760448968 WDWFRJYYYQVGAT-UHFFFAOYSA-N 486.642 2.890 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760485675 MTZFCIPEWBHDOK-QFIPXVFZSA-N 469.592 2.620 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)cc2OC)C1 1760534345 WKFICGXYIDXSJC-FQEVSTJZSA-N 455.559 2.555 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1760550212 UTJAJLXKEZUJJK-QHCPKHFHSA-N 468.646 2.973 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1761361205 CZPCSUWTNZKHMX-MBSDFSHPSA-N 458.607 2.954 30 10 JFEE CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1762390015 GRMNMRLQWVOCOD-HXUWFJFHSA-N 477.569 2.884 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)c3cccs3)CC2)c1C#N 1762402846 IDOCIOZXCKYBMZ-UHFFFAOYSA-N 495.657 2.598 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCSC(F)(F)F 1763043175 AINWCDBNOHEWHH-AWEZNQCLSA-N 475.504 2.970 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1763923312 DGZMHEGVJOFUIN-IQGLISFBSA-N 476.585 2.607 30 10 JFEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1765437089 FTHNVROXELYGSV-SANMLTNESA-N 479.629 2.502 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 1767699066 FIBWSJBXLFSVDW-LJQANCHMSA-N 472.640 2.540 30 10 JFEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1768243165 GGTLPIUZBNPFKD-IBGZPJMESA-N 488.614 2.697 30 10 JFEE COc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)N(C)C)cc1OC 1770080248 BMJSZLJBXRMQCU-SFHVURJKSA-N 476.585 2.506 30 10 JFEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Br)c3)CC2)cc1 1857956614 ABDBLWVXZKEBJN-FQEVSTJZSA-N 477.384 2.979 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 1862578909 QFZQSTMQUYMZFE-OAQYLSRUSA-N 487.505 2.954 30 10 JFEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1862957559 UHLCXXCDSLRSEM-UHFFFAOYSA-N 474.498 2.611 30 10 JFEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868355435 JCIKSBXFVJYRMC-UHFFFAOYSA-N 477.613 2.760 30 10 JFEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(C(=O)NCCN(CC)CC)cc1 1870944500 IIOGENIRJHCUOQ-UHFFFAOYSA-N 497.640 2.621 30 10 JFEE C=CCN([C@@H](C)C(=O)Nc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1872034574 JZGSGWOHDCRWMJ-AWEZNQCLSA-N 479.511 2.825 30 10 JFEE C=CCn1c(C(=O)Nc2cccc(NC(C)=O)c2)cc2c(N(CCOC)CCOC)ncnc21 1873675422 XDSZQFVXJYXGDI-UHFFFAOYSA-N 466.542 2.927 30 10 JFEE COc1ccc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SCC(N)=O)c(OC)c1 1874320320 LFCVVZGZIMGEBN-BHGWPJFGSA-N 455.540 2.951 30 10 JFEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H](C)c2ccccc2)cc(OC)c1OC 1874396484 JBHGAFNVAFWSKS-HZZGJGATSA-N 455.540 2.915 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc(Br)cc(OC)c1O 1874448599 HIBMZLITBVGWCK-KEGHGJGQSA-N 471.333 2.754 30 10 JFEE COCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874471528 NZBCQROEGKPPBP-FSJBWODESA-N 457.487 2.917 30 10 JFEE COc1cc(Br)cc(/C=N/n2c(C)nnc2SCC(=O)NCc2ccco2)c1O 1874531841 DXBUQMFMEOOUTL-ODCIPOBUSA-N 480.344 2.947 30 10 JFEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 1890533690 UIPCADPCHNEJRR-UHFFFAOYSA-N 474.454 2.804 30 10 JFEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3nnnn3-c3ccc(F)c(F)c3)n[nH]2)c1C 1890928076 NJRVYTSWOSLQNC-UHFFFAOYSA-N 453.457 2.650 30 10 JFEE 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C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1Cc2ccccc2C1 1286780186 QRUFPLCPXDDERC-UHFFFAOYSA-N 469.387 2.952 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1286793984 RIOUNBHACDMYGX-DLVCFXQMSA-N 493.967 2.675 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286816936 OEASASYTGNQXLK-ROUUACIJSA-N 481.981 2.586 30 10 JFEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286831029 ZPTJJHHRILQSEL-OAQYLSRUSA-N 454.644 2.916 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCCC2)C1 1287048976 HIVOFWYDYAMZPG-OSPHWJPCSA-N 489.596 2.880 30 10 JFEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCNC(=O)OC(C)(C)C 1288067127 GSUILUOFZJBLIE-UHFFFAOYSA-N 467.574 2.982 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1289501148 DIRAFGXEMUMTMS-XMSQKQJNSA-N 461.563 2.883 30 10 JFEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCN1CC(F)(F)F 1291306610 CFIZCBSEVOWDJM-ZWKOTPCHSA-N 477.535 2.610 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(F)c(F)cc2N2CCOCC2)s1 1297581014 QJESJJUWXPVIRX-UHFFFAOYSA-N 457.524 2.508 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300409857 KLKYBCICYPMRND-HXUWFJFHSA-N 485.633 2.846 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1300411289 RVQSDHQHEXNTNH-SFHVURJKSA-N 485.532 2.680 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(C(N)=O)CCOCC1 1300557784 XKTKLVPFBRDIMI-NRFANRHFSA-N 463.582 2.780 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300650572 VEMYGSJRZPMYHT-SFTDATJTSA-N 453.541 2.966 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1300673658 UBXJNGMAQGSLKF-QFIPXVFZSA-N 459.472 2.800 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1300703994 YBOGPNBEEYOZQD-IRLDBZIGSA-N 479.629 2.665 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nnc(CC)s2)CC1 1300712292 OCYWNLTZCRPKAC-INIZCTEOSA-N 497.600 2.985 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1300725591 BCAXWEHJCZYMFH-QFIPXVFZSA-N 478.572 2.870 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1300776774 NBHBHKDLKMKMOO-UHFFFAOYSA-N 477.569 2.956 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1300802462 QKGHAZMEURMTBQ-FDDCHVKYSA-N 479.647 2.819 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300829577 INACYVXAJJVHRY-MRXNPFEDSA-N 470.169 2.661 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1300863773 UPTPBBHABARXHT-AQNXPRMDSA-N 488.633 2.941 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1300972203 IMTKRXPFMZSCJP-GOSISDBHSA-N 462.595 2.552 30 10 JFEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(N)=O)C1 1301175899 LIXFIBPJXTYTAU-KRWDZBQOSA-N 459.620 2.605 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(CCC)C(=O)C1 1301489934 HJKDNSRGDBPMOT-UHFFFAOYSA-N 489.418 2.767 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1Br 1301505719 AIARDVYYUQSQHS-UHFFFAOYSA-N 455.360 2.965 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1301579437 RSZHBRQJOSQKGC-OAQYLSRUSA-N 468.627 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301593662 SFRISDLRVYLERT-NRFANRHFSA-N 495.609 2.577 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1nccs1 1301596722 XDZWEYVJZVDLOK-NVXWUHKLSA-N 453.634 2.890 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 1301623775 OFWKCFSZVRUSBO-GJZGRUSLSA-N 450.527 2.815 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CCCCC1 1301970579 HBNNVMIYORKPBA-IBGZPJMESA-N 485.658 2.901 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1303628269 APXPLFCTSQULAH-KGLIPLIRSA-N 499.410 2.867 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)CC1 1313919755 FXSBOUMBYFJYAA-OAQYLSRUSA-N 492.672 2.584 30 10 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2.744 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@](C)(O)c1ccco1 1358971630 CDJQHEROMBGTTN-XMMPIXPASA-N 450.495 2.544 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)C(C)(C)C 1358972718 QCMRRYOHGFXDAO-UHFFFAOYSA-N 463.401 2.994 30 10 JFEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1359001130 MJKZXNXMHRMPCK-FQEVSTJZSA-N 461.657 2.658 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2oc(CC)nc2C)CC1 1359032789 CQOFRNDEJDMKAD-UHFFFAOYSA-N 450.543 2.625 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359055158 UMTXUAZYBVPKNJ-UHFFFAOYSA-N 464.599 2.530 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccccc1CN1CC[C@H](O)C1 1359065260 MDJRECUONQTBSK-AMZDPNTKSA-N 467.614 2.609 30 10 JFEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359078579 IDXIYGXPDWIBKO-UHFFFAOYSA-N 491.434 2.853 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)n(C)c1=O 1359112144 AGEVKVZKLJNOAF-UHFFFAOYSA-N 462.602 2.910 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCOC1 1359131381 RWBVFLGZJHIHBG-GOSISDBHSA-N 462.620 2.694 30 10 JFEE C=C(C)COCCn1c(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1359136347 GUQRHBJXDDUQOB-LVXARBLLSA-N 489.661 2.998 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359150568 BFZXQDZZFAGYHP-HUUCEWRRSA-N 489.067 2.888 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1359151022 KXBUTRGAPNGKAW-AWEZNQCLSA-N 457.934 2.538 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCC2)CC1 1359174252 YYALRMXEPSBXQO-SFHVURJKSA-N 482.720 2.652 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1359240982 BSKHJDOBMQYKIU-QGZVFWFLSA-N 483.635 2.566 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1359244190 UGGOXVDNEOXLGP-UHFFFAOYSA-N 472.597 2.936 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1359257833 XHEHIFWKBJDOHD-XUZZJYLKSA-N 474.627 2.946 30 10 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C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1507641995 NSVZHBLPCTUKSK-LBNVMWSVSA-N 491.636 2.773 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1CCO[C@H](C)C1 1507704202 SOCMIMANHBFAMY-QUCCMNQESA-N 488.658 2.838 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1507724080 GCWIEIBCMLTYHY-HSZRJFAPSA-N 464.017 2.975 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C(C)(C)C)no2)CC1 1507726609 JJVITUXNIKNCPD-UHFFFAOYSA-N 459.554 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1507740652 OPTKDKGENKWDMG-HXUWFJFHSA-N 493.587 2.712 30 10 JFEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1 1507743951 GGKJWROPCNCXKQ-IBGZPJMESA-N 466.380 2.915 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507791587 NSECNLVPGHQWKY-NZSAHSFTSA-N 495.466 2.855 30 10 JFEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507870134 FGDVNBWECBQMOP-SFHVURJKSA-N 468.023 2.992 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507910065 DZCQHIPCHJLYQI-QGZVFWFLSA-N 464.611 2.749 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1508019590 LTNIQQSJPABNDC-GOSISDBHSA-N 458.588 2.500 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(=O)CC)C1 1508094591 PBOHLKFUGPNQKH-INIZCTEOSA-N 495.411 2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1508144192 RQMQZJYWAYWNBF-BZSNNMDCSA-N 477.656 2.885 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CCOC1 1516127664 CREGVBHIZIMCHF-RZPFDVGOSA-N 482.629 2.960 30 10 JFEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OCC2CC2)c1 1517346382 BIXXJPSDTZSLNZ-UHFFFAOYSA-N 466.567 2.530 30 10 JFEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1532325287 SMPANWHPWHBYCH-VQIMIIECSA-N 452.573 2.589 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@@H](C)C1 1539025230 GPWSFBVDSPKEQI-DNQXCXABSA-N 463.674 2.833 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNC(=O)c1cc[nH]n1 1539305041 NHDLQLXPHVKJSW-KRWDZBQOSA-N 461.595 2.747 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1539480578 CHJUBCAPHGOYLW-GOTSBHOMSA-N 482.604 2.928 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1539512835 IEQDSHPTHHETCV-UHFFFAOYSA-N 453.591 2.896 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1539513418 JMLUGXNCCGICFH-IBGZPJMESA-N 459.019 2.571 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccnc1 1539540427 OOFRCIPSCIALMZ-XMMPIXPASA-N 464.595 2.825 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539619207 CZADCYMRDHHFSI-GMLUQMLDSA-N 492.523 2.888 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)NC)CC1 1539644421 ZYTQHFGSEPFEKJ-CVDCTZTESA-N 469.586 2.809 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539751550 PGRQVMMBHJERFJ-FQEVSTJZSA-N 471.606 2.589 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1540154130 QBXBWPRRPARHES-NRFANRHFSA-N 462.392 2.961 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)C1 1540892559 NRLLZJGCNKNGGU-LQAIBEDLSA-N 461.651 2.918 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1540903591 DBYXPIARDIEWAE-SFHVURJKSA-N 453.568 2.652 30 10 JFEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCSC[C@H]1C#N 1546268584 FVWGOHJYKAAYFJ-MCFFVMPBSA-N 451.548 2.742 30 10 JFEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cc(C)n(C)n1)CC2 1548378130 VTKUAUVKARUMOY-LJQANCHMSA-N 488.514 2.724 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1587639850 NLAGIWHTTBEGOG-NLWGTHIKSA-N 458.607 2.529 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1587808715 WDFUYFBPAHYJPC-CVEARBPZSA-N 451.980 2.613 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1587904748 MWCRVTNZQBASQD-UHFFFAOYSA-N 472.977 2.798 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588035247 QFXFPHMKNYGAGG-SFTDATJTSA-N 472.611 2.930 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588093366 KKLLPLKXFGSSJV-UHFFFAOYSA-N 473.375 2.975 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1588265620 FTNPNMYBLZPPBX-SJLPKXTDSA-N 466.007 2.955 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588452923 XWZPHWCSXJWXCK-UHFFFAOYSA-N 459.522 2.749 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCn2ccnc21 1588581506 UPUZIQZEBPFIMK-HNNXBMFYSA-N 458.364 2.896 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC(C)(C)C(F)(F)F)n1 1588723747 PDPAQDCBWZAWHD-UHFFFAOYSA-N 464.496 2.750 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1588884730 LRPODBCRTZWGNW-UHFFFAOYSA-N 463.630 2.893 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1589070324 SLEIZLOERGNLLQ-LJQANCHMSA-N 455.632 2.779 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1589089533 SRPLPYAALVTGLK-SIKLNZKXSA-N 457.619 2.921 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccccc1 1594544450 KGCLMXCYVSZCFG-NMMYMHLASA-N 471.627 2.503 30 10 JFEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1)C1CC1 1595054348 HKXGMOJYRHJESD-SFHVURJKSA-N 488.633 2.830 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1595516304 DHOWPRGPXUMTAB-UHFFFAOYSA-N 498.584 2.812 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1595545287 USFQWNMNCSWPKM-MJGOQNOKSA-N 476.622 2.604 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC2)C1 1595688485 KJDRSCHYJGMJKK-HXUWFJFHSA-N 459.616 2.616 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595766517 RFOXMKLRZSZRBP-WIYYLYMNSA-N 494.061 2.746 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3([C@@H](C)CCO)CCC3)nnc12 1611094439 AUKTVIYBLMAAPE-INIZCTEOSA-N 455.584 2.627 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCCC1(C)C 1611676693 BGAKJKNBCPVDRI-BVZFJXPGSA-N 498.653 2.995 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC#N 1613425244 HWOWOTABZQJSLB-HZPDHXFCSA-N 474.635 2.590 30 10 JFEE CCCN1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1614854630 CYJJULHKYVIVCZ-NRFANRHFSA-N 481.645 2.760 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1614909865 FMIUACBCCYBSMZ-NHCUHLMSSA-N 484.626 2.527 30 10 JFEE CN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1617733933 ARQOYDIMDWBBIT-UHFFFAOYSA-N 488.614 2.697 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc3cccnc3cc2Br)cc1 1623448884 JZLFJPQWAQBLMY-UHFFFAOYSA-N 458.337 2.839 30 10 JFEE C#CCN1CCC[C@H](NC(=O)Nc2cc(C(=O)OCC)ccc2I)C1 1626964136 QTZQYLJWCCBPOC-AWEZNQCLSA-N 455.296 2.687 30 10 JFEE C#C[C@@H](NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1F 1640467147 MQDJVRBQIZSHEU-GOSISDBHSA-N 456.948 2.729 30 10 JFEE N#Cc1c(F)cccc1S(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 1659917409 DHYNNGDHNWXVSX-UHFFFAOYSA-N 452.305 2.607 30 10 JFEE C=C(Cl)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1666368938 HXEZXLDFXXYVGX-UHFFFAOYSA-N 456.996 2.962 30 10 JFEE C#CCOc1ccccc1CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1666685882 ZAOBHVMTESFRGB-HDICACEKSA-N 457.552 2.818 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(Oc3c(OC)cccc3OC)nc2)CC1 1676921399 NUXRAAZYNHPUJH-UHFFFAOYSA-N 452.511 2.562 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(CC)CC 1689851211 NOXATYJDIXYBHL-IBGZPJMESA-N 452.607 2.559 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(OCC(N)=O)CC1 1689916590 OFQKEFZDVUITPO-UHFFFAOYSA-N 476.375 2.600 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941303 LXLKZOLNYMLODR-HHHXNRCGSA-N 495.624 2.632 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1689994194 SVIBZEANMQNTDG-HXUWFJFHSA-N 456.612 2.963 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689994238 USZJDESVJHWJMM-HXUWFJFHSA-N 490.699 2.525 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)n1 1690109467 SGKXGRCXOHOYDE-UHFFFAOYSA-N 456.510 2.644 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](CC)OC)CC1 1690152503 NQPZSHAPBYTWEQ-IBGZPJMESA-N 459.978 2.901 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1690157991 USCKIQCKLZRKAX-HZPDHXFCSA-N 462.645 2.527 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690235041 VFMHHCBBOMOKOB-ROUUACIJSA-N 482.423 2.750 30 10 JFEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccccc1 1690441811 HJSRVLLQRYSFSW-YADHBBJMSA-N 450.587 2.979 30 10 JFEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690467401 VTLNMFLPFSOMGC-YKSBVNFPSA-N 482.677 2.875 30 10 JFEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1690525948 UPOAFVWHFIMHOF-SFHVURJKSA-N 476.622 2.510 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690677168 QAPSGTCCWKBBOC-UNMCSNQZSA-N 484.670 2.728 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc21 1690728920 BBVBWKXLDJXIKW-UHFFFAOYSA-N 457.581 2.565 30 10 JFEE Cc1noc([C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCNC(=O)C(C)C)C2)n1 1693534812 GYMXDSVEXJTLRT-IBGZPJMESA-N 478.557 2.576 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)(F)F)C[C@@H](C(F)(F)F)O1 1693838203 FIADBAREMWTLFV-RISCZKNCSA-N 499.387 2.831 30 10 JFEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(Cl)cc2F)C1 1698312348 FRCQQIITWYGBNV-LJQANCHMSA-N 496.996 2.582 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC(C)CC1 1705501307 XTAWIVKGCJBZTC-XMMPIXPASA-N 463.674 2.833 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(CC)C2)c1 1705506612 CLXRZRKFALQUPY-NHCUHLMSSA-N 450.587 2.570 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC(C)CC2)c1 1705507420 AVSQXCXTTDOIMP-DHLKQENFSA-N 494.640 2.790 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705563327 VHRIJPNZHUCLCU-KRWDZBQOSA-N 476.965 2.651 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705602530 YRQRIIBPTUONRO-SFTDATJTSA-N 453.562 2.958 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCSC1 1705624445 BNBYYJMDNLMZEN-LJQANCHMSA-N 451.390 2.662 30 10 JFEE C#CCN1CCN(c2nnc(COCC)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705643140 TWQNKKGRMFWDEE-HXUWFJFHSA-N 460.623 2.750 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1705646226 BXEWIIVUFCNBQY-JOCHJYFZSA-N 476.581 2.815 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705739684 NHKKJMJTKHXYPV-UHFFFAOYSA-N 482.585 2.587 30 10 JFEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705831693 ZZDYUVJZCUQQDX-UHFFFAOYSA-N 455.632 2.860 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705837289 WIMUFLJVTMGBGL-WMZHIEFXSA-N 475.615 2.546 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1705899537 WRSPKDCUGDDWEB-GOSISDBHSA-N 454.575 2.988 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705902829 KFPMMOLJAXFCFL-RBUKOAKNSA-N 476.622 2.558 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705917985 ALVAOCBLWPWENO-IRXDYDNUSA-N 466.007 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1705934056 ZSNZGAZFTXQDDI-FQEVSTJZSA-N 459.616 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705939418 WZZJOEXFPLHJNG-VQTJNVASSA-N 489.667 2.727 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(C)C)C[C@@H]2C)CC1 1706000961 OSUMHPIBLGBFCT-RDPSFJRHSA-N 479.629 2.621 30 10 JFEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CCOC1(C)C 1708272376 BZAIUJIMYBNJKJ-QGZVFWFLSA-N 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COc1cc(/C=N/Nc2nc(SCCC(=O)NCc3ccco3)n[nH]2)cc(OC)c1OC 20909877 FAOZBSRLLHVVGF-SSDVNMTOSA-N 460.516 2.668 30 10 JFEE C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 36313409 XJHKJEXWAYXENS-PMACEKPBSA-N 475.561 2.862 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)cc1Cl 103223383 ZBVQSOUORJJIFH-AGGMBTAESA-N 471.941 2.888 30 10 JFEE CCN(CC)c1ccc([C@@H]2N(C(=O)C/[N+]([O-])=N/OC)CCN2S(=O)(=O)c2ccccc2)cc1 103936662 HCRUUSWXCXEKRQ-SZWCJKGDSA-N 475.571 2.588 30 10 JFEE CC(=O)O[C@@H]1CC[C@]2(/C=N/O)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@]2(O)C1 253530284 XEZYOTFVCGERLI-SHQNJGGMSA-N 461.555 2.730 30 10 JFEE biogenic COc1ccc(N2C(=NC(=O)c3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254528503 PBUGAHLXHNJMHT-APWZRJJASA-N 462.549 2.628 30 10 JFEE Cc1cc(C)nc(SC2=C(N(C)C3CCN(C)CC3)C(=O)N(c3cccc(C#N)c3)C2=O)n1 526700326 BGHUOCMXRAFJES-UHFFFAOYSA-N 462.579 2.868 30 10 JFEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 609074491 COKBLIKCYKPBKI-UHFFFAOYSA-N 483.515 2.937 30 10 JFEE C=CCn1c(=C(C#N)C(=O)c2sccc2C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 614891894 FGSXOJMLMMRYJJ-UHFFFAOYSA-N 480.567 2.632 30 10 JFEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)C1 619105622 CIEKEMQRKSNPAS-KDURUIRLSA-N 467.595 2.582 30 10 JFEE CC(=O)OCC(=O)[C@@]1(OC(C)=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 642774944 RWKMFNKALGKSFN-JEKAUPOHSA-N 480.504 2.739 30 10 JFEE CC(C)Cn1c(=C(C#N)C(=O)N[C@H](C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729672119 YHBDVPIQJXEFBB-GOSISDBHSA-N 471.586 2.594 30 10 JFEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@](C)(O)C(=O)O 757300225 QGDASTRUEBNCOC-OFVILXPXSA-N 452.507 2.812 30 10 JFEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1COC[C@H]1C(=O)O 757304305 FKTIDFCEWIDMOT-FSSWDIPSSA-N 450.491 2.686 30 10 JFEE C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccc(Cl)cc1 853705951 FSNHZIYXDFXEHY-CABCVRRESA-N 477.970 2.968 30 10 JFEE CCOc1ccccc1NC(=O)CCSc1nnc(NN=Cc2ccc(C(=O)OC)cc2)n1N 1084549487 SZPNYBFXHDMCCD-UHFFFAOYSA-N 483.554 2.744 30 10 JFEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)N1CCc2ccccc2C1 1084608351 ZZBSHJPHTXBXBD-UHFFFAOYSA-N 473.562 2.974 30 10 JFEE CC(C)[C@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1(CO)CCCC1 1194930451 DVGNBXOEBDJKNF-NRFANRHFSA-N 455.559 2.622 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1286388881 WJPHDYDQRSJUFL-LJQANCHMSA-N 458.584 2.945 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286391981 KLIAMZXHKAGKGJ-ZEQRLZLVSA-N 483.682 2.955 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COc2ccccc21 1286466224 FJHXAKWYZZKYTM-CTNGQTDRSA-N 497.596 2.849 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCc3nccn3C2)n1 1286468933 AGEASPSMSBJTJP-IBGZPJMESA-N 450.591 2.517 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)c2nccs2)CC1 1286484883 ZQWPBOGBVSLVMQ-GOSISDBHSA-N 452.584 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1286489393 RAOGWTDCLRSKHF-RBUKOAKNSA-N 481.597 2.743 30 10 JFEE C=C(C)COCCn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1C(C)(C)C 1286614463 SWTOTFIUIINIJO-UHFFFAOYSA-N 460.667 2.985 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1286732795 ZDCIOGGWHUUHEN-MRXNPFEDSA-N 480.635 2.610 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1)C1CC1 1286738292 RYZZKJRNLOLCTA-SFHVURJKSA-N 467.542 2.752 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1286765954 LYPKBHSLYLRAJN-HXUWFJFHSA-N 455.584 2.917 30 10 JFEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286776618 MTTGACIMUSHGQS-GOSISDBHSA-N 472.977 2.910 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286781057 NUNXWAKNAUXZIF-QGZVFWFLSA-N 493.534 2.522 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286821305 GYXYCNPPPHPTMZ-UHFFFAOYSA-N 493.605 2.523 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@]1(OCC)CCOC1 1286825600 TWGRBOLOFIXNJK-QFIPXVFZSA-N 481.018 2.747 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1296307168 CGKLJAGIWCVXEK-PMACEKPBSA-N 464.618 2.789 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)c1 1296778896 JIDDBXOQLWYBHK-UHFFFAOYSA-N 454.533 2.932 30 10 JFEE COC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CCCCC1 1299794001 GWUDOJJKSWWMLS-UHFFFAOYSA-N 465.602 2.964 30 10 JFEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300362433 PBRULBHWOCTAKW-RBUKOAKNSA-N 472.590 2.837 30 10 JFEE COc1ccccc1[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)OC(C)C 1300454397 DWIQOHPCLLTLLB-WVBUVRCRSA-N 494.593 2.505 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(N(C)C)cc1 1300460364 UHNSJOGISBMWIS-UHFFFAOYSA-N 451.600 2.616 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300487537 KLVRNKHIJSWRFZ-IBGZPJMESA-N 457.987 2.806 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300488914 XDLOQFNCZXQGIY-LEWJYISDSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300504726 RCIMNDGGHNOARC-JBACZVJFSA-N 467.595 2.792 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300577753 ANWKXKVFLJYCFR-NRFANRHFSA-N 493.564 2.547 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300606965 YEJACSYZYHOLPW-ICSRJNTNSA-N 472.571 2.517 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1CC 1300665214 YQHBWZMLRKAYGX-UHFFFAOYSA-N 466.611 2.935 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)CC1 1300726441 LBVNWULFJLQLSQ-UHFFFAOYSA-N 481.551 2.708 30 10 JFEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300839432 HAEYWOHZMKWKIS-HDICACEKSA-N 459.348 2.889 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1300870096 PVVSZXZDCRFVQF-FHJLPGHOSA-N 454.531 2.797 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCCCS(C)(=O)=O)CC1 1301072740 PVDFQABUYOTXPW-UHFFFAOYSA-N 495.671 2.567 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN(C(C)=O)C1 1301417994 ZEKUDADBSGBMGN-KRWDZBQOSA-N 479.423 2.943 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccc(O)cc2C1 1301501571 ZEACMGARFWHKDL-IBGZPJMESA-N 496.612 2.963 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1301506074 GREPBMHNUSDSDO-QFIPXVFZSA-N 455.566 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301575938 NDTLRBPNJMDDSW-QFIPXVFZSA-N 480.034 2.500 30 10 JFEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)CC1 1307743933 FHVNUGUKTWZONH-HXUWFJFHSA-N 452.521 2.681 30 10 JFEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1314713295 DVCXLTKQJRAZGM-UHFFFAOYSA-N 495.672 2.722 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCS(=O)(=O)c2ccccc2)C1 1316530204 FAAMLEWYKJAYCY-JOCHJYFZSA-N 454.531 2.570 30 10 JFEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 1353908946 WUGVIZZLQOUGPC-UHFFFAOYSA-N 452.454 2.653 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1358885705 PEUUYJMNMJRINN-SFHVURJKSA-N 496.637 2.880 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358919738 JFRTYWAGPFEDGZ-ICSRJNTNSA-N 475.590 2.975 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCn2ccnc2C1 1358977030 ANQFLRDLBACFIM-RTWAWAEBSA-N 477.613 2.925 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1Cc1c(CC)nn(C)c1OC 1359015802 FWWGGTWBCTYCTC-UHFFFAOYSA-N 460.517 2.867 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCOCC)CC1 1359045793 UIPSMZZQBBEBHC-QFIPXVFZSA-N 467.570 2.573 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1359051094 LUAAQVXKOZCKPT-FXAWDEMLSA-N 459.641 2.941 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359062521 KQTMIRQHRKXXTE-UGKGYDQZSA-N 484.601 2.706 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)CN1CCOCC1 1359074122 RMNHAFDAUYXYKC-CJFMBICVSA-N 453.587 2.826 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359083075 BFGJOWIDDOVKEE-OALUTQOASA-N 495.466 2.951 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359094669 DJHCDZZUSMXDES-DENIHFKCSA-N 489.642 2.843 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359117107 FKAAOYIVBBWXPO-UHFFFAOYSA-N 470.940 2.693 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359158592 YUEZSNDNUWWCSQ-HKUYNNGSSA-N 450.971 2.682 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1359175121 ZWJVGJFWVWFASX-SANMLTNESA-N 483.613 2.848 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359188569 QDZHFMUGVATQOO-OALUTQOASA-N 473.647 2.678 30 10 JFEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccc(Br)cc2C1 1359222324 FRZQFDYNSIQPEQ-CQSZACIVSA-N 484.420 2.764 30 10 JFEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359248366 KZGRODHCJRDXNP-FQEVSTJZSA-N 481.416 2.720 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359293218 KIVJVYJUWIHDFT-REWPJTCUSA-N 466.630 2.812 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 1359300903 MJEFUCVQOCVVLF-NHCUHLMSSA-N 496.612 2.883 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)NCC)CC1 1359338621 BTNCNTWLKXZQAM-UHFFFAOYSA-N 467.014 2.915 30 10 JFEE N#Cc1ccc(F)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)c1 1444740122 ARUFOFXWVUBOGM-MRXNPFEDSA-N 451.907 2.738 30 10 JFEE C#CC[C@@H](COC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1454354957 OEYAPHQVLMTEPC-INIZCTEOSA-N 457.483 2.648 30 10 JFEE CCOC(=O)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(C)c1C 1467329829 GBOLEQHFMWLHBW-QVKFZJNVSA-N 457.552 2.541 30 10 JFEE CCCCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1500539270 ARJASNJOFRNTLY-NRFANRHFSA-N 470.643 2.952 30 10 JFEE CCCN1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1500982969 BUACEKITSINIBO-UQBPGWFLSA-N 468.602 2.579 30 10 JFEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507568457 VPDKJEIICRLHCA-QFIPXVFZSA-N 485.654 2.880 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507634021 IEDTXERMCFAUTQ-PMACEKPBSA-N 474.652 2.790 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)NCCC)c1 1507673277 SKMXKJBDCWBJDO-UHFFFAOYSA-N 457.582 2.791 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2ccccc2)CC1 1507690210 QTVDJSXUXQBPCK-QFIPXVFZSA-N 455.628 2.552 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[S@](=O)CC)CC1 1507735828 IAOKIIFGRKZVCT-XFSFLGPDSA-N 455.628 2.554 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1507752395 WJGWKFFCUAFRBF-DOMZBBRYSA-N 457.478 2.528 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCN(CC)CC1 1507764355 OAVNVMPCDIWGSK-AREMUKBSSA-N 498.697 2.758 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1507801257 SNRNRAAYRINJMI-LQWHRVPQSA-N 454.531 2.798 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507804717 MGNPQDMWYLGCIJ-WPYKKVEZSA-N 473.643 2.629 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1507942656 SCCXTUQAODITLR-QGZVFWFLSA-N 473.521 2.929 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1507983191 SORPLOLKSJJCCG-LJQANCHMSA-N 463.586 2.946 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ncn(C)n2)C1 1508116579 KCCRRYRDYUQBFB-OAHLLOKOSA-N 474.363 2.674 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1508143217 XNWFJFOCEMRBDK-QFIPXVFZSA-N 488.654 2.655 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 1508423171 FPKIWBFPNZXYKO-HIFRSBDPSA-N 457.478 2.723 30 10 JFEE 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30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1740953960 XNOJMDORVMYVHY-GOSISDBHSA-N 451.275 2.591 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1c[nH]c2ccccc12 1740986424 XEWCXGAGMASIGE-UHFFFAOYSA-N 470.599 2.623 30 10 JFEE CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1741625365 HFXBGHIMXJXQDN-VXKWHMMOSA-N 470.643 2.809 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1C 1742245225 AWTNGHYCDXNISH-GCJKJVERSA-N 494.644 2.686 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1748684429 JCGILPGFVVSBMW-FQEVSTJZSA-N 461.614 2.603 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1748717628 DYYGDQNGJZQACG-UNMCSNQZSA-N 455.628 2.694 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCCS1(=O)=O 1748799239 LDEJSAYQMVOCMD-KRWDZBQOSA-N 467.389 2.656 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1748823999 GYJRBZGTEGNZEI-KRWDZBQOSA-N 489.960 2.720 30 10 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464.368 2.839 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)c(C)c1 6302106 LMBSHOYXILCNED-MYXKAAJQSA-N 496.560 2.775 30 10 JFEE O=C1C(NS(=O)(=O)c2ccccc2)=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc21 12040612 BROCXCNDCJCHTF-HEHNFIMWSA-N 458.542 2.985 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 33660397 BWMJUBYJXAMVNK-HMAPJEAMSA-N 473.511 2.709 30 10 JFEE CCOCCC/N=C(/Nc1cccc(C(=O)O)c1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 46021952 AGANSWGCYDCYGL-UHFFFAOYSA-N 485.560 2.975 30 10 JFEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c(C)c1 59888130 DZVCYXFBPGDUTI-WSDLNYQXSA-N 456.576 2.794 30 10 JFEE COc1ccc([C@@H]2c3c(nc(N4[C@@H](C)CCC[C@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1OC 72443940 LOVZZRCEEQDVFZ-CXUGXGMPSA-N 467.526 2.787 30 10 JFEE C#Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 108553343 OXVXACYTCQMYGW-UHFFFAOYSA-N 473.554 2.783 30 10 JFEE C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cccc(OC)c21 254873998 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2.805 30 10 JFEE C#CCNC(=O)CN1CCN(C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)CC1 1194647806 CMUMAPBMJJAYIH-QFIPXVFZSA-N 456.384 2.517 30 10 JFEE C#Cc1ccc(NC(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1220348578 HHKXCJMSMCYGJY-UHFFFAOYSA-N 457.552 2.908 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(CCC)CC1 1286278810 GNNRIMJMKYLPPB-LJQANCHMSA-N 472.659 2.775 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286303325 IOOPRJOZLXTZKH-IEIRFRATSA-N 485.654 2.734 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1286340083 UBPMWGCVQUHWEP-QHCPKHFHSA-N 457.600 2.616 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286357469 VMSIJTPJFRWHFQ-UHFFFAOYSA-N 478.553 2.974 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286393202 KUUCOIQQRPSYAP-NHCUHLMSSA-N 475.634 2.935 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1conc1COC 1286442795 NBEQNLGZRAHHOI-UHFFFAOYSA-N 461.526 2.707 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(CCC)CC2)CC1 1286485208 XLDKEODOSYDLCG-UHFFFAOYSA-N 461.614 2.606 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C(C)(C)C)cs2)CC1 1286490785 RTRABOMQQZSAGA-UHFFFAOYSA-N 478.626 2.698 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C(C)C)CC1 1286546903 BNTHFSHISIKBII-IRXDYDNUSA-N 470.412 2.605 30 10 JFEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1286632655 LCDWAAMPGUKYCU-UHFFFAOYSA-N 475.947 2.983 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(CC)CC)N1CCOCC1 1286722055 BFAXWGKPZDVGMF-JOCHJYFZSA-N 479.629 2.951 30 10 JFEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1286759363 ASWNUSMQGKEZCA-UHFFFAOYSA-N 474.613 2.667 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1nnc2n1CCC2 1286766001 LUSLBNSVEZAVPI-UHFFFAOYSA-N 464.393 2.994 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](OC)C1 1286815666 YBJFNNPZYKZQGA-QGZVFWFLSA-N 469.405 2.924 30 10 JFEE 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30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705777259 BTKPLGXBCHWBRF-LJQANCHMSA-N 475.615 2.789 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1705830622 UGWCLRVRHNSIBL-KOSHJBKYSA-N 476.622 2.687 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCCN1CCC(O)CC1 1705862945 ZKMMPTYLXRSFTM-UHFFFAOYSA-N 451.550 2.914 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1705867371 MVUCFSCUKICCDO-HXUWFJFHSA-N 466.590 2.513 30 10 JFEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705888486 AKLUMUBKGRVJJA-UHFFFAOYSA-N 457.332 2.559 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705935739 CEAYJZYAZJHDKY-SJORKVTESA-N 465.645 2.786 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705939419 WZZJOEXFPLHJNG-WOJBJXKFSA-N 489.667 2.727 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1709992879 AHBLJJKWFYQLHK-UHFFFAOYSA-N 475.601 2.973 30 10 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C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(Cl)c2)CC1 1594241211 JGHAOBSTIPFZMJ-FQEVSTJZSA-N 496.033 2.724 30 10 JFEE C=CCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1594774768 MUPCQGSYBYSQRJ-SYVJQLTCSA-N 488.677 2.664 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1595244019 OSAKVZIHOBOUIK-UHFFFAOYSA-N 466.567 2.680 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(c2cnccn2)CC1 1595442477 NOLWRTIFEIKPDD-UHFFFAOYSA-N 456.348 2.922 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCC[C@H]2C)C1 1595730650 XVEGXZUHMBNWSX-UAFMIMERSA-N 477.606 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H](C)C#N 1595765772 GOCKBWRYGWVTRL-AWEZNQCLSA-N 482.404 2.913 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1595777879 SISXTXXMIBEQGS-PBHICJAKSA-N 474.505 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595804890 HNRYKGRNKONBOM-WOJBJXKFSA-N 476.599 2.643 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1595859840 BEUCZQPIANAUND-UHFFFAOYSA-N 493.655 2.544 30 10 JFEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1614342984 HNGDURPEQFFQBT-SANMLTNESA-N 482.629 2.828 30 10 JFEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(-n3nc(C)cc3C)nc2)CCOC1 1616139626 ABAHIASEAVCJMD-OSPHWJPCSA-N 464.574 2.772 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 1617743977 DBDQJSNGHQRKHV-HNNXBMFYSA-N 456.296 2.944 30 10 JFEE COc1cc(OC)c2ncc(C#N)c(NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 1655007689 HKBGUIWVYJFRGH-UHFFFAOYSA-N 455.515 2.615 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1655553984 BHMJCWXSSOKZNO-AEFFLSMTSA-N 451.589 2.774 30 10 JFEE C#CCN1CCN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)CC1 1656089328 JHFBEFMIJWMCCH-UHFFFAOYSA-N 452.971 2.852 30 10 JFEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br)C1CCOCC1 1656100096 WKDXHUQSIBGPAY-AWEZNQCLSA-N 450.738 2.596 30 10 JFEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1661100450 GYVICFIGDXVCTR-LJQANCHMSA-N 456.568 2.502 30 10 JFEE CN1CCN(c2ncccc2CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 1669625781 CQQUKILCIHXALF-UHFFFAOYSA-N 450.934 2.866 30 10 JFEE C=CCCn1cc(CNS(=O)(=O)c2scc(Br)c2Br)nn1 1670840566 DEVYWEINOGQGCO-UHFFFAOYSA-N 456.185 2.919 30 10 JFEE C=CCC[C@@H](CO)NC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1680551082 MALPFPSVKGUKOC-ZWKOTPCHSA-N 457.356 2.882 30 10 JFEE C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 1684851529 HBZMCHCWAVTPKV-DVECYGJZSA-N 451.546 2.818 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689979384 ADSRTQMCLOCAEH-OTWHNJEPSA-N 481.663 2.921 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689983421 BIVRVWCPHQYLDZ-GHTZIAJQSA-N 476.046 2.957 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1690046064 WUCKLZLJFOECFX-RPWUZVMVSA-N 460.626 2.846 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1690061422 XSZGNHFMJDBYGS-RUZDIDTESA-N 459.635 2.813 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690188585 LGOJVNPMJQNBCV-KNBMTAEXSA-N 476.565 2.898 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@](C)(CC)C1 1690302778 LNDKMDQDPRCEED-QHCPKHFHSA-N 477.631 2.793 30 10 JFEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690419761 AUSVPGYACPODRS-MRXNPFEDSA-N 473.647 2.816 30 10 JFEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690473895 KPUHVRNZTPYULC-HNNXBMFYSA-N 488.394 2.544 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1690672699 ACPXLPRSDYZBKX-KRWDZBQOSA-N 458.975 2.859 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1690683650 QLBLAGMUJKOFNX-SIKLNZKXSA-N 489.642 2.851 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1690700831 YKZCCWVOBUPFFF-FGZHOGPDSA-N 453.587 2.898 30 10 JFEE C[C@H]1CCCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1693646273 AMEISFLPCWRXFC-IBGZPJMESA-N 465.602 2.552 30 10 JFEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1ccsc1)N(C)C 1693745341 GLKDADOQIMFEBI-LAUBAEHRSA-N 479.610 2.760 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1694207971 FVQDEZYFZXPMBF-IBGZPJMESA-N 488.596 2.852 30 10 JFEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1695290578 FTRFJWMIIRAPMB-IRLDBZIGSA-N 451.619 2.706 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)C1 1695976918 CCSWGTGZJCCWLF-PWRODBHTSA-N 468.558 2.583 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2Cc2cccnc2OCC(F)F)cc1 1698488465 DFEMSLDDMPMJTB-UHFFFAOYSA-N 497.506 2.518 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@](=O)C(C)(C)C 1705500141 HIBHYICLTUJCQE-VTLMBFNKSA-N 470.687 2.648 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2occc2C)c1 1705503748 DBMLRVOPZFIXLX-RUZDIDTESA-N 463.538 2.936 30 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30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2Br)CC1 1705642255 NCCCRWQRUQYSNE-UHFFFAOYSA-N 468.403 2.706 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cc(COC(C)(C)C)on2)CC1 1705643266 YRBPVPJFAHZQQF-UHFFFAOYSA-N 494.596 2.972 30 10 JFEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1705688376 QTLWLYWBWJPLIM-LBPRGKRZSA-N 456.282 2.713 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705694249 PUZPVJRJHHFBLT-QIJUGHKUSA-N 486.661 2.713 30 10 JFEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(Br)ccc1F 1705724699 IHEJWAQXTVZDDM-MRXNPFEDSA-N 452.328 2.706 30 10 JFEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705766893 SHLCJCHDDVMXLV-UHFFFAOYSA-N 462.963 2.863 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1705843467 GAQVRRSSWLERGL-QGZVFWFLSA-N 457.531 2.986 30 10 JFEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1705852979 LTVAURQTCHAJKJ-UHFFFAOYSA-N 470.599 2.560 30 10 JFEE 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COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCNCC3)[C@H]2c2ccc(Cl)cc2)cc1 102437283 UWAAQNDFUDLDBV-AGGMBTAESA-N 455.942 2.676 30 10 JFEE CCOc1cccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 110908756 OLWOJMKZZIIHML-MYXKAAJQSA-N 494.544 2.610 30 10 JFEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccc(O)cc1 170136219 YMULCHKESLOAMM-QFIPXVFZSA-N 451.523 2.751 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1ccc2c(c1)OCCO2 170325627 KKBYHSRIDLTNSF-NRFANRHFSA-N 455.463 2.700 30 10 JFEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1cccs1 254747011 OTRIPQFZGQTFOK-OAQYLSRUSA-N 480.567 2.951 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4c(C)nc5cc(C)ccn45)CC3)cc2C1=O 490859421 OJSATZDSCFNGSJ-UHFFFAOYSA-N 457.534 2.691 30 10 JFEE COC(=O)c1ccccc1NC(=O)C[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 586276408 UDHLYUWWURCAGF-RZQXLCLMSA-N 473.576 2.857 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3cccc(C(C)=O)c3)cc21 586346655 JDUNFVSGQRBUJN-MIKNWGHHSA-N 468.531 2.759 30 10 JFEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)Nc2nnc(SCC(C)C)s2)n[nH]1 1084076219 HGOXSIQXQNRQHN-UHFFFAOYSA-N 480.649 2.931 30 10 JFEE Nn1c(NN=C/C=C/c2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084223314 AMUJFPIYGSLQKP-NAHLFRAQSA-N 451.512 2.605 30 10 JFEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCc2nnc(-c3ccc(F)cc3)o2)n[nH]1 1084610521 NRWLEAUUOZMXBV-UHFFFAOYSA-N 457.495 2.538 30 10 JFEE O=C(N1CCCC[C@@H]1CNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(F)(F)F 1212291179 HDQIMXNKOPQZAO-SECBINFHSA-N 452.348 2.946 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2ccccc2C(=O)NCc2ccccn2)c1 1213161795 IZWNUHGOOPWZFF-UHFFFAOYSA-N 451.504 2.695 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286291123 VWNDGYNHBGNTCY-HZPDHXFCSA-N 456.547 2.863 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1286305672 OBXBQHDRNJJNLW-KURKYZTESA-N 465.620 2.633 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C2OCCO2)c1 1286450606 WERPFAPLWIOLBL-UHFFFAOYSA-N 451.552 2.823 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1286483940 FEDGZCWPRRAAOS-GOSISDBHSA-N 472.565 2.665 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(F)F)c2)CC1 1286485366 JEIDCZIMHBNJSO-UHFFFAOYSA-N 484.551 2.640 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286554009 SFJUWPFDGNLGIZ-MBDNFAEBSA-N 453.587 2.752 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@]2(CCOC2)C1 1286612086 SNCHPGNZCVTQTC-RUZDIDTESA-N 491.633 2.981 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1286726648 HBBPJUBDZKVYTM-MSOLQXFVSA-N 457.579 2.983 30 10 JFEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1286769128 RHYAJLBNMHFYSU-VXGBXAGGSA-N 464.539 2.934 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2F)CC1 1286784369 FXPPHHGZJJSLTM-UHFFFAOYSA-N 455.925 2.761 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286817647 XALFIFLOTWQLIX-FQEVSTJZSA-N 471.627 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CC[C@@H]21 1286819968 AZJKHVDVHYZDFU-CEXWTWQISA-N 495.646 2.566 30 10 JFEE Cc1ccc(O[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cc1 1289761704 AQYNODXJPVIYKA-HKUYNNGSSA-N 466.567 2.774 30 10 JFEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1291071920 HNHAJNURKNOKDZ-DYESRHJHSA-N 483.598 2.939 30 10 JFEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1294505997 DQCYBTJTLKCPAT-UHFFFAOYSA-N 464.618 2.933 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1300334578 QTUQBUSFOKKYLQ-SIBVEZHUSA-N 458.566 2.871 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300384235 NXLRJBDWGFHHEM-JTAQYXEDSA-N 482.604 2.959 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300393467 FBEJNMJLTJEBQV-UHFFFAOYSA-N 463.586 2.822 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCNc1nccc(C(F)(F)F)n1 1300476238 ZNLZFJYOHMLYGF-UHFFFAOYSA-N 461.448 2.856 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1300484089 RBHDHOLHKJSRHT-MAUKXSAKSA-N 451.017 2.978 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1300498766 MXCBICBZEDROMP-AUSIDOKSSA-N 474.652 2.790 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1300499536 UGXGFWAFCVNLKX-NRFANRHFSA-N 473.618 2.509 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCCO[C@@H](C)C1 1300536385 WQHMKSGXSCOXRU-GOTSBHOMSA-N 498.672 2.966 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1300665604 LQAPJCJDQHITCI-XMMPIXPASA-N 467.614 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1300720038 ZTBLJXNRFXJUAI-LJQANCHMSA-N 474.565 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1300724628 AHFLPRSCOSWHJD-FPOVZHCZSA-N 451.571 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@](C)(O)C(C)C)CC1 1300729183 PLZCOENXHCTDJV-SANMLTNESA-N 462.598 2.723 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301159864 IEOXXMOKQVJEIV-DEOSSOPVSA-N 468.606 2.557 30 10 JFEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1301220541 CKENSRPQANYSIC-QGZVFWFLSA-N 453.609 2.594 30 10 JFEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1301436083 MJSPQPAEZUPYKC-SFHVURJKSA-N 459.572 2.754 30 10 JFEE CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)c1cccnc1 1302527221 AVVFMNFVGUMYJM-RBUKOAKNSA-N 465.583 2.833 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCn1cc(CO)nn1 1358898191 NTJXUPKCWUZRBB-SFHVURJKSA-N 451.575 2.787 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1358919453 CFSMTEDZEGQSJS-UHFFFAOYSA-N 491.983 2.632 30 10 JFEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1358942194 MLXZJLMUBATNHG-BQHWHHKNSA-N 450.568 2.727 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCn2ccnc2C1 1358977029 ANQFLRDLBACFIM-NHCUHLMSSA-N 477.613 2.925 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359025852 ATJDKQVEULXJSR-OFVILXPXSA-N 454.571 2.692 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 1359027239 BBPOZRWXGRFGFC-FQEVSTJZSA-N 471.606 2.716 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCc2ccccc2)C1 1359056339 CUCMPZQQKDLRIG-LEWJYISDSA-N 474.652 2.590 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1359098678 DRJDYTWKMVKHAY-ZOBUZTSGSA-N 471.421 2.650 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1359121902 NLKOFEFEKRGCQY-QFIPXVFZSA-N 468.650 2.965 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359129761 MAAQYLCEMWHWEA-GOSISDBHSA-N 455.559 2.756 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)OCCc3sccc32)CC1 1359173407 FQETUPDGSFLIJY-QVKFZJNVSA-N 465.645 2.840 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)OC)CC1 1359201552 RPQWNQJIHZCLDW-UHFFFAOYSA-N 460.604 2.984 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359264911 SINUZPYBZYRMOX-HSZRJFAPSA-N 488.635 2.969 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359293618 VLQFNPHIQMETEO-NBGIEHNGSA-N 453.587 2.897 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(=O)OC)CC2)cc1 1359309408 QRISEBWZHBDZAC-FPOVZHCZSA-N 471.558 2.504 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC[C@H](C)C2)C1 1359324941 VDMDAFRRQPQYKK-OALUTQOASA-N 458.632 2.783 30 10 JFEE C#CCN(C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1)[C@@H]1CCOc2ccc(Br)cc21 1360311090 OYVLVTWDDWPOKP-QUCCMNQESA-N 457.328 2.970 30 10 JFEE C#CCN(C(=O)[C@@H]1CC12CCS(=O)(=O)CC2)[C@@H]1CCOc2ccc(Br)cc21 1360556951 ITFFYPMAKSHTRL-DLBZAZTESA-N 452.370 2.949 30 10 JFEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C(=O)OCC 1463731905 UETDAYNITOCMDM-LBPRGKRZSA-N 452.298 2.551 30 10 JFEE C=CCOc1ccccc1CNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1477912724 JTVDRSXWHJGGCD-NRFANRHFSA-N 455.530 2.907 30 10 JFEE N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(F)(F)F)CCO1 1505321793 FFUURRAQDDLJJL-MRXNPFEDSA-N 450.469 2.523 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507574699 PBDIIVFQSCXPGH-WMZOPIPTSA-N 466.521 2.503 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1507622987 NPDGORTWYYQMHK-LPHOPBHVSA-N 479.597 2.783 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507626015 BZPQKLLHKGVGNW-RYQLBKOJSA-N 480.631 2.743 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507627550 DPPRLAJFLBQWIZ-NZQKXSOJSA-N 480.638 2.564 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507630408 YHPJRHYUZPYXRQ-KRWDZBQOSA-N 493.511 2.857 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCSCC2)cc1 1507712058 PGOVDXYXXJWFPP-UHFFFAOYSA-N 462.623 2.951 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC[C@@H]2C)CC1 1507732455 HDCYOEVEIHDSSM-HBMCJLEFSA-N 472.634 2.778 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1507753061 ICLPSZMNMMNUOD-OAQYLSRUSA-N 466.655 2.868 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1507753678 PYXSSTFXDRFPNX-UHFFFAOYSA-N 491.665 2.706 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCOCCOC 1507765889 WXHUSGICICUPAS-RUZDIDTESA-N 464.570 2.720 30 10 JFEE C=C(Br)Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507793641 RHKRWSPEUQRJDT-HXUWFJFHSA-N 470.412 2.676 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1507838582 FHYIFYVQVGJLBQ-UHFFFAOYSA-N 489.642 2.825 30 10 JFEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1507945683 JRXYOMNEUXZNNI-OAHLLOKOSA-N 472.571 2.817 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccn1 1508088399 GIUCZCODCYKUEJ-GOSISDBHSA-N 469.590 2.726 30 10 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VNNJSFYQHOXCDU-UHFFFAOYSA-N 465.535 2.579 30 10 JFEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 33481458 SOCXANUEIPODQH-FOSCPCJNSA-N 497.360 2.925 30 10 JFEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3c(F)cccc3F)n[nH]2)c([N+](=O)[O-])cc1O 59040055 MAZBZNXPISWHEL-QPSGOUHRSA-N 479.425 2.882 30 10 JFEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1 59887716 ZSVSNKWNEQFPNE-NUGSKGIGSA-N 498.491 2.686 30 10 JFEE CCc1ccc(/N=C2/SC[C@H](CC)N2C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 105032939 FVAVSNMVRFMITQ-YDXVVIRGSA-N 476.624 2.756 30 10 JFEE COc1cc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1O 137844549 CJHOADQBRIJXRV-JZFJIDBXSA-N 467.474 2.773 30 10 JFEE COc1ccc(C=NNc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCN(C)CC3)n2)cc1OC 253678061 PZLLAMPRUVUEJT-UHFFFAOYSA-N 493.528 2.738 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 512706345 YSIDNKSHJBFUAN-UHFFFAOYSA-N 486.498 2.742 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@H](N4CCCC4)C3)nnc12 552860492 WLTXHQHALZOPFD-SFHVURJKSA-N 466.611 2.799 30 10 JFEE CC1(C)OB(c2cnc(CNC(=O)c3ccc(I)c(O)c3)s2)OC1(C)C 714633718 BAYDWIISRFDZPN-UHFFFAOYSA-N 486.140 2.683 30 10 JFEE CC#CC[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC)C(=O)O 757209624 LRFBNDBHBNFYPU-XARZLDAJSA-N 464.518 2.911 30 10 JFEE C#CC[C@@H](NC(=O)c1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cnn1C)C(=O)O 757482163 QBKCZEPMRZOBFR-JOCHJYFZSA-N 472.501 2.665 30 10 JFEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1noc(-c2ccccc2)n1 794325120 CHJJVVVJFZRLLR-KRWDZBQOSA-N 454.508 2.933 30 10 JFEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnn(Cc2ccccc2)c1 915651719 DFFKFHFBJKNRFF-UHFFFAOYSA-N 465.579 2.847 30 10 JFEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=C/C=C/c3ccccc3)n2N)c1 1084653938 ZJSBAPLHYONJPT-DPHBVSPUSA-N 453.528 2.851 30 10 JFEE C#CC[C@]1(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1126396195 TUDUQZNZHXPRHE-KBMIEXCESA-N 455.555 2.576 30 10 JFEE N#CCOc1ccccc1C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1126903120 BOLXLNIZFVKYJK-UHFFFAOYSA-N 457.328 2.748 30 10 JFEE Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)COc2cccc(Br)c2C#N)c1 1127489959 BFRCOQKKVVFMBT-UHFFFAOYSA-N 454.284 2.931 30 10 JFEE COc1ccc(OC)c(C2=NO[C@H](C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2)c1 1128161191 HMXRVWNGAGAOCJ-XWTGJVNOSA-N 450.495 2.970 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCO)c2ccccc2Br)cc1 1138163378 JHIJDIMVGDQOFJ-GOSISDBHSA-N 453.358 2.767 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)cc1 1142170255 SLAAZMUZQIPQBD-GOSISDBHSA-N 453.358 2.719 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc2c(n1)CCCC2 1286279184 JXAKRRRCMGERGO-SFHVURJKSA-N 478.622 2.975 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2c(C)coc2C)c1 1286309405 RSCYCGJHCUDSEB-UHFFFAOYSA-N 460.538 2.828 30 10 JFEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286338735 DQACWYWRLPHICJ-FQEVSTJZSA-N 472.540 2.703 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286356044 JLJHMPYIKGDDIX-KRWDZBQOSA-N 481.578 2.754 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)NCC(F)(F)F 1286380058 BHBQNMVMTSTZEF-UHFFFAOYSA-N 450.248 2.912 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286388246 MIHCDBGVNUEBDB-QKNQBKEWSA-N 460.600 2.924 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286390207 YOKMFEAYLJTDAG-HYBUGGRVSA-N 471.627 2.607 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286395810 OKAYZTPQHSRFRA-LRSLUSHPSA-N 486.638 2.996 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1286395856 SPVDIRQGPMMTKR-IEBWSBKVSA-N 479.002 2.509 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286399016 WNHJADVKPONWSK-MDNUFGMLSA-N 485.654 2.667 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNc1nccc(C(F)(F)F)n1 1286409752 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C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCC(C)CC2)CC1 1690132584 TTYNUKFLYMJUKY-UHFFFAOYSA-N 450.631 2.961 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(N(C)C)CCCC2)CC1 1690150267 AYOXVPXXBCQINT-UHFFFAOYSA-N 478.641 2.740 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC(C)C)N(C)C)CC1 1690150324 CVSNAQMURVKEAQ-NRFANRHFSA-N 471.675 2.576 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690188105 DSGTWQMPMURHED-GOTSBHOMSA-N 480.638 2.562 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690230528 HUDTTWNLYDHKBY-UHFFFAOYSA-N 474.450 2.699 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690238823 NXAUTSRDJBARHH-UFGBVDADSA-N 490.626 2.570 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690302374 CHMAZEKYAMNXDG-UXHICEINSA-N 460.600 2.804 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cc(OC)ccc2OC)CC1 1690375180 CHVOHJMQEPLKFM-IBGZPJMESA-N 460.600 2.987 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1690596844 BRUWQAVMZUGFHK-NRFANRHFSA-N 471.627 2.911 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1690611503 OPPVYXFXJFTUJM-LJQANCHMSA-N 484.626 2.865 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690683690 RQCDDHQDNVQEAX-RBBKRZOGSA-N 466.586 2.993 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C)C1 1690717767 QAMVYSIDVOVXOC-AWEZNQCLSA-N 455.378 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)[C@H](OC)C1 1690719995 XJFQXGXROMFTEC-CALCHBBNSA-N 475.398 2.703 30 10 JFEE C[C@@H](CN1CCCCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1692734083 DBZAWLBIFRHMBT-JTSKRJEESA-N 459.595 2.834 30 10 JFEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OCC(F)(F)F)c1 1693551452 GDIBWPHYHLHMCA-OAHLLOKOSA-N 485.470 2.868 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCSC(F)(F)F)cc1 1698488336 GSIACINQOCGFSR-CQSZACIVSA-N 468.461 2.623 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccccc1OCCN(C)C 1705497780 ICNYHCHSHMTCSB-FQEVSTJZSA-N 457.582 2.963 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705524209 HOMGZCOYNSLTOI-GOSISDBHSA-N 480.569 2.751 30 10 JFEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705536335 NMLZRHPICMTMRX-UHFFFAOYSA-N 462.529 2.544 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN(C)C(=O)OC(C)(C)C 1705546247 GDQDLYAPHIKLHE-UHFFFAOYSA-N 489.646 2.873 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705571340 YFXDFKMBERGLFC-IBGZPJMESA-N 485.997 2.601 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](c1ccsc1)N(C)C 1705574653 JOGBZRLUPREETQ-FQEVSTJZSA-N 495.678 2.984 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1705580017 BCHGJAGKGZIEKX-GOSISDBHSA-N 468.558 2.628 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccc(C(=O)NC)c1 1705587756 HTUMJILJDFKHBP-SZPZYZBQSA-N 490.608 2.724 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCO[C@H](C)C1 1705597287 AMHLXHVCUQGIAT-ZJSXRUAMSA-N 463.582 2.754 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)OC(C)(C)C 1705630122 HMOVVJKNZBJCSP-UHFFFAOYSA-N 452.559 2.961 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705685692 HEKLJGQZBZPHQB-DLBZAZTESA-N 451.369 2.839 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1705707461 LPEMVQRCPYKCAG-CNNODRBYSA-N 487.567 2.986 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 1705708188 ZFCONUSJYGTCNW-UHFFFAOYSA-N 466.630 2.922 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705822466 GBRDPDVGDQWKOM-UHFFFAOYSA-N 472.644 2.976 30 10 JFEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(I)cc1 1705846667 OEVAMGSRJCASLR-UHFFFAOYSA-N 451.312 2.676 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1705866054 GEHFLZVREKOMGM-UHFFFAOYSA-N 498.634 2.974 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705906214 XARBSFLLMBFNQZ-KRWDZBQOSA-N 471.562 2.518 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908211 KZHICXWOGZJHQR-BGYRXZFFSA-N 479.585 2.859 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1705916410 KIYPEVJKVQTFAH-HYBUGGRVSA-N 490.626 2.552 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCN(C(C)=O)CC2)C1 1705917581 WBKGWFHOBXVYCL-NRFANRHFSA-N 458.994 2.544 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C1 1705917948 ZRBFFJCIJUBOEN-SFHVURJKSA-N 454.531 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C2CCOCC2)C1 1705931441 PREFUYHLGTXKKH-IBGZPJMESA-N 475.571 2.707 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705941790 WLVULACXASBUDL-QGZVFWFLSA-N 464.613 2.997 30 10 JFEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1706824465 BEGYYEDFRBJPIA-IAGOWNOFSA-N 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CRXYJZZPDKRGIP-UHFFFAOYSA-N 450.314 2.985 30 10 JFEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1634169225 BCTFYOYTFWAFBP-QGZVFWFLSA-N 451.552 2.929 30 10 JFEE C#CCN1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)CC1 1652172464 CSJYNPPVKIOODI-UHFFFAOYSA-N 453.402 2.749 30 10 JFEE Cc1nsc(N2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2)c1C#N 1671874024 ABOSLSJQXFMFSZ-UHFFFAOYSA-N 451.556 2.812 30 10 JFEE COc1cccc([C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N2CCCC2)c1 1677130282 CQLRQQGQSGSJIJ-JBACZVJFSA-N 457.575 2.890 30 10 JFEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3C[C@H](O)c3cccs3)C2=O)cc1 1686081938 FSONYRAOEVTXSG-AABGKKOBSA-N 454.552 2.649 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1N1CCOCC1 1689902293 YZICDNNCQVWUOE-UHFFFAOYSA-N 450.587 2.677 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1689934227 NLIFGRWRZHHOMK-LJQANCHMSA-N 469.659 2.570 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1690043603 HDJPASKUCUOVPR-UHFFFAOYSA-N 485.592 2.540 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccco1)N(C)C 1690047335 OGVQFMQQRNOZON-JOCHJYFZSA-N 472.597 2.811 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690059841 ZCMBUTFXBVNBMG-DLBZAZTESA-N 466.007 2.813 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2CCOCC2)CC1 1690154520 QLHAXMXUQSZULL-FGZHOGPDSA-N 471.646 2.979 30 10 JFEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690173200 YDNHVYJGAZXGDM-SFHVURJKSA-N 459.641 2.871 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690179108 MVZTUKOIPGDPRG-GOSISDBHSA-N 453.572 2.715 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690232240 DRORSFUJTRWSEF-HNNXBMFYSA-N 475.347 2.914 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690234785 NMIZNVJQRKMIRM-PMPSAXMXSA-N 495.422 2.974 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690420201 KEZNANPTCOJYRN-QGZVFWFLSA-N 494.637 2.965 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1690507007 AKORRFKOHOBYKO-FQEVSTJZSA-N 453.543 2.627 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690660676 MLLKZMKLTGCGNQ-UUOWRZLLSA-N 489.020 2.675 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H]1CC 1690675238 TWJWFZMSTQKMQE-FCHUYYIVSA-N 465.646 2.570 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl 1690714711 SAGKMFZOXTWKMN-UHFFFAOYSA-N 492.964 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1690723421 QXMCMDNJYHGOKC-UHFFFAOYSA-N 489.642 2.880 30 10 JFEE CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1692017594 AQCOCZGIBCUHCZ-PZJWPPBQSA-N 457.600 2.891 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1694207986 FVQDEZYFZXPMBF-LJQANCHMSA-N 488.596 2.852 30 10 JFEE CCC[C@@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1695044239 BCPICUMLAQSUDH-FXAWDEMLSA-N 464.364 2.899 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C1CCCCC1)N(C)C 1696328896 GRAZFLGAONDCSW-JOCHJYFZSA-N 483.665 2.565 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCN2CCOC(C)(C)C2)c1 1705506641 DGPMIXGJFRAJRE-QFIPXVFZSA-N 480.613 2.687 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1705562428 BVRDTFVBAAGAHW-SFHVURJKSA-N 485.997 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705590527 NRPVDYXGOLNXAL-RUZDIDTESA-N 459.554 2.535 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1705599364 XPJJDUOFGIHDJY-AWEZNQCLSA-N 467.414 2.515 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1Cc1cccc(N2CCOCC2)n1 1705599818 ZLEDNWUKZYQCLY-UHFFFAOYSA-N 458.541 2.751 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2CN(C)C(C)C)CC1 1705643619 MQUQAJZUJNGTHO-DQEYMECFSA-N 480.657 2.646 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2cc(C)nn2C)CC1 1705650380 PUUSBLCYPCGTTQ-UHFFFAOYSA-N 459.598 2.509 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2cccs2)N2CCCC2)CC1 1705652685 IXAGEOGZWFUFSM-FQEVSTJZSA-N 470.643 2.679 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705662608 DZFCULOKAKBYOQ-UHFFFAOYSA-N 451.600 2.557 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1705666765 JCPIUIGOJJZVHV-OPJGWUQDSA-N 484.670 2.717 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705720201 DHDSXKOPDSCPLD-KRWDZBQOSA-N 457.922 2.707 30 10 JFEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705735007 HAYACODHIMWFHS-UHFFFAOYSA-N 459.616 2.958 30 10 JFEE C=CCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705823370 JRKLFJQXYREIHP-IXDOHACOSA-N 453.609 2.638 30 10 JFEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705831708 AFAATIXKVDTZIN-FQEVSTJZSA-N 454.575 2.623 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1705907429 MMKSAGVWDQENPS-UHFFFAOYSA-N 478.500 2.626 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)C)CC1 1705908405 BIOVCMRTKVJBPV-IBGZPJMESA-N 475.638 2.573 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1705911780 QGACPFXDKHBFKG-PMACEKPBSA-N 460.600 2.799 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCN(C(C)=O)CC2)C1 1705921739 YFPNYWHYWTXTJD-FQEVSTJZSA-N 489.020 2.553 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705935240 KYSGRVSXHYVLOO-HOTGVXAUSA-N 454.543 2.752 30 10 JFEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1705942629 YUWTVPXFTQFAGV-UHFFFAOYSA-N 472.615 2.876 30 10 JFEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1705946877 UHLFQGVWMNXBJY-LJQANCHMSA-N 464.613 2.723 30 10 JFEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC(=O)N1CCOCC1 1708507959 AYNJUROZMYVEQG-FQEVSTJZSA-N 465.602 2.629 30 10 JFEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1709829105 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C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1722573759 OXIRTMMMMSPDLA-UHFFFAOYSA-N 457.600 2.509 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722584850 YMVXZAWHXSHNHM-ZHRRBRCNSA-N 465.595 2.728 30 10 JFEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722590157 AHZWXCLHMDBZKX-UHFFFAOYSA-N 499.660 2.989 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCN(CC)C(=O)C1 1722688318 BGZZYQRHFGOBMM-UHFFFAOYSA-N 479.610 2.738 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722689728 YAJPIKCUDHWDBE-IAGOWNOFSA-N 488.564 2.963 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722696617 QLKJIYFFDJBEHV-UHFFFAOYSA-N 457.460 2.927 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCOCC2)C1 1722699340 UNWIMSXCXUNHHH-UHFFFAOYSA-N 488.633 2.702 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cc(Cl)cn2)C1 1722721892 XUUHUHMQGLMLTN-MRXNPFEDSA-N 461.979 2.601 30 10 JFEE 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468.565 2.904 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1722405659 OYZOVTJWZBPJDN-XMMPIXPASA-N 452.534 2.957 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722425052 KELRFLLXSDWPQA-HSZRJFAPSA-N 474.565 2.900 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1722435566 KUAGHTHBNCDOFJ-UXHICEINSA-N 453.587 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[C@H]2OC)CC1 1722450512 KVLISIGFSNMPHO-PZJWPPBQSA-N 469.561 2.777 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1722466913 IJMDJBMLKHIEPW-YCRPNKLZSA-N 466.007 2.785 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(CC)S(C)(=O)=O 1722470986 ZNNPUQWAORHOOD-OAQYLSRUSA-N 460.560 2.517 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722501318 OHEYRGNJHAUUBC-UEDWAMCQSA-N 488.633 2.732 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722505443 KGJRZIBAZSJVRG-DENIHFKCSA-N 488.658 2.880 30 10 JFEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1722518439 ITEQTMJFDSBSDZ-VWLOTQADSA-N 452.603 2.864 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Cc2cccs2)CC1 1722566647 WGKRPECJOJBUSN-HKUYNNGSSA-N 465.645 2.708 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722614287 ISWKPVSQSFFPMZ-MRXNPFEDSA-N 458.588 2.510 30 10 JFEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1722621317 YNSLKTVVZILDRI-SFHVURJKSA-N 482.651 2.788 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722688857 MZWQCOVCPKCYEX-JTDSTZFVSA-N 463.966 2.614 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1722694993 ORWXKMXECSMEGO-GHTZIAJQSA-N 463.586 2.640 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1722702458 OKABBCHRSLWEIW-UHFFFAOYSA-N 467.492 2.670 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(O)CCN(C)C2)C1 1722718139 PJMYXUYJPKODRX-VGSWGCGISA-N 492.418 2.564 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CCCC)C1 1722719163 REXRLKNUQIWASO-QHAWAJNXSA-N 465.664 2.616 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cl)=C(Cl)C1 1722730441 ROJBZXFOOHFMEH-UHFFFAOYSA-N 459.403 2.640 30 10 JFEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(C(N)=O)CCCC1 1722907577 FITHMMLLNAVFNF-UHFFFAOYSA-N 453.566 2.959 30 10 JFEE Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)N2CCOCC2)o1 1724262243 GZGWAOFCSDFNJQ-FQEVSTJZSA-N 469.590 2.521 30 10 JFEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1728379738 BMKQNWCXSDYCOK-VWLOTQADSA-N 458.570 2.808 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCS(=O)(=O)C2)C1 1731179800 GFUSEXASCASXGV-BDJLRTHQSA-N 474.381 2.646 30 10 JFEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1731188169 BYNNJLLIHTWJKL-CVEARBPZSA-N 452.437 2.633 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740622053 SVLLXHDLJUYKBG-AZUAARDMSA-N 497.621 2.796 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740623681 ZGRJVAPJHYGKEW-PUHATCMVSA-N 485.654 2.667 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(N(C)C)CCOCC2)CC1 1740691141 VPJMLEUGGCUJON-JOCHJYFZSA-N 496.656 2.683 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCC2(C)C)CC1 1740708571 UMQIHXZNJIQPLR-OAQYLSRUSA-N 451.619 2.932 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCCOC 1740730990 MQUDUCNOSMUMBR-SQJMNOBHSA-N 486.638 2.944 30 10 JFEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740742045 AFSKCTCNOIJTEP-DNVCBOLYSA-N 476.423 2.561 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740761893 AUXUZEKASDHMBR-NZQKXSOJSA-N 489.642 2.618 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740870017 HDAUCDFIQASVIU-IBGZPJMESA-N 457.600 2.906 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740876325 HCVQTQPCRRGKJJ-MOPGFXCFSA-N 474.606 2.754 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(C)(=O)=O 1740927408 GKXZXDIJDMEIQV-UHFFFAOYSA-N 454.394 2.744 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)C(C)C 1740927794 XLJKPEOEWMZBBA-JOCHJYFZSA-N 499.704 2.545 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1740950781 HNHOTZIURPGXJG-KRWDZBQOSA-N 478.601 2.759 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(F)F)CC1 1740954436 MKZNIHNXAFYWGU-UHFFFAOYSA-N 464.586 2.965 30 10 JFEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 1742298558 GRPXPIFBOVGXCL-IRLDBZIGSA-N 470.643 2.964 30 10 JFEE CCOC1CC(Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1746920882 BPDCQUBWEQHDAN-BHWOZTKKSA-N 456.566 2.950 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)(F)C(F)F 1748665955 YBFJTBGOXVMKHT-CYBMUJFWSA-N 476.500 2.613 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccnc1OCC(F)F 1748784302 IWFXAYJWZUMYPI-UHFFFAOYSA-N 479.491 2.832 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nnc2n1CCCCC2 1748836545 ZNRQUWGAHICTQX-UHFFFAOYSA-N 459.554 2.791 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(Br)c1 1748875226 OAMVMHZGYKFUGO-UHFFFAOYSA-N 458.360 2.699 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1748941152 YWJOUFWGBDAHBA-MRXNPFEDSA-N 490.630 2.983 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCCN1CCOC1=O 1748957079 UEORXTKXCAUVLG-UHFFFAOYSA-N 480.338 2.775 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749023220 QHAQZDRVISUVDK-UZLBHIALSA-N 478.018 2.779 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1749024596 VXJIWPQWIRNRGQ-KRWDZBQOSA-N 480.562 2.540 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749029492 RUUCKBDZKCJRPW-UHFFFAOYSA-N 451.600 2.813 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1749086279 ISKWUJXFBNPQJQ-HIFRSBDPSA-N 498.403 2.867 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749367501 WWAPTCJMOFLMMD-MOPGFXCFSA-N 451.637 2.779 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749445860 ZSQSJWGLXHGWLJ-QGZVFWFLSA-N 477.407 2.840 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749449305 KWZCYXLNULNIIR-KRWDZBQOSA-N 459.547 2.832 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1749458250 XKIJHDIAMLNQIN-OAHLLOKOSA-N 458.506 2.827 30 10 JFEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1749629950 LMOMMSFNASWFQM-SJLPKXTDSA-N 480.660 2.761 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749655717 QCHRNIAQXHUCEA-QGZVFWFLSA-N 487.406 2.993 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C)C1 1749669199 IHJXDVBBKPRGAN-INIZCTEOSA-N 464.636 2.637 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749754955 UKKJFQZYWCWEIM-CABCVRRESA-N 476.628 2.771 30 10 JFEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC1(O)CCOCC1 1750473930 AZXPGFOVXGNAJX-UHFFFAOYSA-N 466.630 2.992 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)cc1OC 1760110534 QHBPACVURORGGN-MRXNPFEDSA-N 468.583 2.762 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ncnn2C(C)(C)C)c1 1760127579 DYCNEEJXZBDGAH-UHFFFAOYSA-N 483.580 2.715 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCCC(=O)N(C)C)c1 1760127910 QKAAWSRLUNBDBR-UHFFFAOYSA-N 450.587 2.935 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCS1 1760245019 OQOQFVRODXEXDD-LJQANCHMSA-N 477.656 2.567 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1CN(C(=O)OC(C)(C)C)C1 1760251371 YPZDMBUWXMJDMH-UHFFFAOYSA-N 460.604 2.587 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(Br)cc2)CC1 1760259860 QSUPRUPJBDKBNL-IBGZPJMESA-N 458.404 2.933 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1760271954 SSCPCQJGCLEVRJ-XMMPIXPASA-N 489.599 2.672 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1760432352 IDDXOSCTSXNPTI-HNNXBMFYSA-N 499.012 2.609 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1760481399 VMGDNXIJPVGGJK-NNWRFLSQSA-N 489.642 2.619 30 10 JFEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1760503464 JEZNTSNHUUMUDJ-MRXNPFEDSA-N 476.578 2.900 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760517028 ACJHVASGZPVIGR-QGZVFWFLSA-N 470.574 2.607 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2[nH]c3ccccc3c2CC1 1760548499 HYNIIOHJUVWJPF-UHFFFAOYSA-N 498.653 2.884 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760552571 SKHMPZFYKHKGCI-QGZVFWFLSA-N 463.579 2.570 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1760554064 QGZJSLKQGPJZTE-KRWDZBQOSA-N 484.626 2.665 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1760557772 WCQPJTKGMFRSRZ-ROUUACIJSA-N 477.656 2.887 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1764664532 DGSOLASMGQSVDA-UHFFFAOYSA-N 460.586 2.828 30 10 JFEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1 1767586005 COMIICUUCIXHAP-FXAWDEMLSA-N 489.598 2.513 30 10 JFEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1767984610 BWBVRSAOPSBZLA-XFAGBWLFSA-N 455.559 2.926 30 10 JFEE COCCN1C[C@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1771128955 BXLPXWKKYVFVJT-WZONZLPQSA-N 472.590 2.816 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1Cc1cnn(C)c1 1772516218 BAGWBSHCBUCATA-UHFFFAOYSA-N 453.344 2.864 30 10 JFEE C=CCOC(=O)c1sc(NS(=O)(=O)c2cc(N3CCCC3=O)ccc2OC)nc1C 1859476259 CSROMEMWKUBJQC-UHFFFAOYSA-N 451.526 2.731 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862697054 ZVVXXGDVJONIBG-NRFANRHFSA-N 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480.794 2.925 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccc(F)cc2)CC1 1286469186 BIYHWMOXTJFSFV-UHFFFAOYSA-N 461.545 2.798 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCOCC(F)(F)C(F)F)CC1 1286473085 HXKCOXURVOEOGY-UHFFFAOYSA-N 455.456 2.626 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CC=CCO2)CC1 1286494345 MCVWVLSFUWHPOV-HXUWFJFHSA-N 481.622 2.890 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1286505433 ZSIXGEVBUOTJEB-GOSISDBHSA-N 461.538 2.922 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](C(F)F)N1CCOCC1 1286527915 MKDXRVXNZGDYBL-GAJHUEQPSA-N 492.596 2.618 30 10 JFEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286601667 SBRNSBKKFFXDJS-YKSBVNFPSA-N 477.613 2.684 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1286701119 VMAJKUWWZYGCMC-LJQANCHMSA-N 469.558 2.882 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCn1cc(Br)cn1 1286729715 YPHNDHBVPNTBDM-UHFFFAOYSA-N 464.393 2.941 30 10 JFEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286769579 BMWVQJFECZFWMD-PMACEKPBSA-N 452.603 2.766 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286789169 PXOZNGJXXFAETB-SFHVURJKSA-N 451.600 2.511 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CNC(C)=O)CC2)cc1 1286795440 YYRMNLXSCSIEDG-UHFFFAOYSA-N 489.580 2.891 30 10 JFEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1291306522 ASCAPJCZCYDSIP-HXUWFJFHSA-N 479.629 2.621 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 1295737527 AHHMBELZTDQKEX-JKSUJKDBSA-N 452.349 2.741 30 10 JFEE CO[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1299574305 GNALRRVBYGOJCM-IRXDYDNUSA-N 482.976 2.922 30 10 JFEE COc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)cc(OC)c1OC 1299888699 BIZMGZCNINTRCQ-UHFFFAOYSA-N 468.558 2.605 30 10 JFEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1300404619 ZBOMXHKZHKJPMH-UHFFFAOYSA-N 452.950 2.996 30 10 JFEE 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JFEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507615184 PMKPSMBGACSOJC-KRWDZBQOSA-N 452.509 2.885 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1507626577 GFNSYWCGXXJTSQ-CMKODMSKSA-N 478.018 2.681 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1507640606 UJHLRPSMEUXOLP-QYZOEREBSA-N 489.667 2.723 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(-n2cncn2)nc1 1507677525 AIWKXQTVIWSVNC-UHFFFAOYSA-N 455.526 2.631 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507701803 BCUODJFXICOTPU-IRLDBZIGSA-N 489.617 2.798 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cnn(C)c2C)CC1 1507740863 GNHUXPVMOLZVJN-UHFFFAOYSA-N 477.638 2.935 30 10 JFEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507748728 MLGUNBKNKUTYIH-UHFFFAOYSA-N 451.552 2.881 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@H]1OC 1507760832 CFHUWSVHLOOCPE-DRMXPCRNSA-N 471.989 2.905 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507780166 XBCIOEXRQIHRDQ-ROUUACIJSA-N 483.411 2.629 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1507789501 YQVLFGVODKQRLS-ACJLOTCBSA-N 454.394 2.927 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1507809905 YATRGAYWJHGAJP-UHFFFAOYSA-N 462.558 2.608 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1507821087 UAYONKYASFKVPN-RBUKOAKNSA-N 465.595 2.794 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507830851 HUAWJBQNWYHHNA-NRFANRHFSA-N 461.632 2.630 30 10 JFEE C=C(C)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836664 VHSWZCMDHMEOPY-CEXWTWQISA-N 457.579 2.727 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507849215 UWXILEPUULILDW-UUOWRZLLSA-N 474.606 2.659 30 10 JFEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507869891 AHANLTDVAJMWON-MRXNPFEDSA-N 478.022 2.604 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1508007372 AROCKMMIFYPMJP-FQEVSTJZSA-N 454.550 2.964 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C)(COC)CC1 1508138952 BABICPGNMHAHRI-UHFFFAOYSA-N 484.626 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1508147570 LAPWRDVMTBZZCO-MOPGFXCFSA-N 498.552 2.910 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508150074 ZILYYNQTLXCSNR-HXUWFJFHSA-N 486.667 2.656 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1516005057 FEBPKGZNJGHKJW-RUZDIDTESA-N 477.569 2.786 30 10 JFEE COCC[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 1532478365 HQDXFMYHLISXAC-INIZCTEOSA-N 456.351 2.926 30 10 JFEE COCC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 1532478412 HQDXFMYHLISXAC-MRXNPFEDSA-N 456.351 2.926 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nc(C)c(C)s2)c1 1539038085 LJXPERQDEBGFCV-UHFFFAOYSA-N 465.583 2.594 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCSC(C)C)c1 1539046181 OHWZESBINVHPNG-UHFFFAOYSA-N 454.600 2.598 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCN1CCC 1539307941 YZLDSVJRAYRVEV-HSZRJFAPSA-N 457.586 2.648 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539377327 HTVRIQNETGJXRJ-FQEVSTJZSA-N 471.569 2.689 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](CC)NC(=O)OC(C)(C)C 1539412691 CFQSXOXDOVDBLA-KRWDZBQOSA-N 495.584 2.983 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)CCC)CC1 1539489767 NBNYGCFPZHHSAX-XMMPIXPASA-N 457.550 2.513 30 10 JFEE C=C(C)Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1539733996 YBVIVVZIUWIBPW-DEOSSOPVSA-N 457.550 2.998 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1539744686 SYSSCKBESLHYPJ-UHFFFAOYSA-N 479.585 2.530 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1540013596 SQYMUSTZDLZHPE-UHFFFAOYSA-N 465.606 2.930 30 10 JFEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540020395 JBROEYYJSBPLDC-FQEVSTJZSA-N 475.615 2.551 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1540182760 YLCLWMBBNDLOER-GBXCKJPGSA-N 457.575 2.973 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1 1540902993 VNTWMSNBLQNWKA-MRXNPFEDSA-N 481.416 2.708 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1540907488 YHZIKXMAEYMPSW-OAQYLSRUSA-N 462.616 2.936 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 1541131395 FGYQBNQLZKNEAC-MBOZVWFJSA-N 461.588 2.556 30 10 JFEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)n1 1542849125 ABIIMFIRHZONAY-HNNXBMFYSA-N 451.556 2.576 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnccc2OC)CC1 1547296427 DXMBFBYUNBFTND-UHFFFAOYSA-N 495.609 2.567 30 10 JFEE COC1CCN(C(C)(C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)CC1 1555155574 AWXAKCGULHXCLX-GOSISDBHSA-N 488.658 2.976 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3c(Br)cccc3C2)c1 1556454864 SSUMXOZRMMGLGB-UHFFFAOYSA-N 451.342 2.948 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc1 1566466986 MGMDYQCIWOCWHX-CYBMUJFWSA-N 453.333 2.861 30 10 JFEE N#Cc1ccc(-c2cccc(CNC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)c2)s1 1586560473 HWUUQHHUEUKQDQ-UHFFFAOYSA-N 453.545 2.912 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@](=O)C(C)(C)C 1587555691 IZNYOOXXVJQFLM-FOGNVHKLSA-N 450.008 2.867 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCN(CC)CC1 1587575495 WQVJILYMDLWKAO-IRXDYDNUSA-N 462.440 2.767 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN(C)C1CCCC1 1587663328 XDDNNITYEUPHSH-HSZRJFAPSA-N 463.674 2.975 30 10 JFEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587711791 FXIOUMNPDWBERL-RDPSFJRHSA-N 464.614 2.746 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1587803765 MORZQSCDJHGFMH-UHFFFAOYSA-N 458.501 2.676 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1588049178 BHQISYDVVKBSCM-KRWDZBQOSA-N 456.597 2.595 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCOC[C@H]1OC 1588094214 UZFJKPBODUOCRE-HNAYVOBHSA-N 461.335 2.971 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCSC2)n1 1588722801 FOUITXZETVONFE-LJQANCHMSA-N 451.600 2.884 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 1588891004 KRGSRCWUSSCQEV-GOSISDBHSA-N 498.603 2.685 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588899505 QMDSBZCJHUXARO-DHIUTWEWSA-N 465.598 2.525 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1589215427 ABUMFLHNVOFMHF-NTKDMRAZSA-N 459.591 2.800 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1589577655 DGNOGANTUWEKMD-FUHIMQAGSA-N 474.524 2.805 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1589731479 LNEPROQTZSPGOL-UHFFFAOYSA-N 486.374 2.879 30 10 JFEE C=C(C)COCCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1593769699 PQILSOBREZOPJV-XMMPIXPASA-N 456.591 2.547 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1593776445 LPEZQHQASYEMND-IFMALSPDSA-N 497.644 2.610 30 10 JFEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1594820115 UMIUJSKHOGLRER-VWLOTQADSA-N 466.586 2.585 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595594251 MGQNACNTNZHDHO-HZPDHXFCSA-N 463.947 2.640 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@@](=O)C(C)(C)C)C1 1595738218 NABMEPBBHLJXEJ-PSTIOWGYSA-N 456.616 2.845 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1595812524 XGWUJGKETSXWFY-UHFFFAOYSA-N 495.649 2.747 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1611319511 IALIGTMAVGNOLU-MRXNPFEDSA-N 491.390 2.607 30 10 JFEE COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(Cl)cc1NC(C)=O 1611577224 AGTAQOQCGLVFAH-CQSZACIVSA-N 454.870 2.948 30 10 JFEE COC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1618910728 CVZGFSYQYGXQEB-INIZCTEOSA-N 450.522 2.886 30 10 JFEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619563150 ANJNCWAAXCSXHF-GOSISDBHSA-N 471.569 2.866 30 10 JFEE C=CCN(C(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)[C@@H]1CCS(=O)(=O)C1 1626455939 ARRHAYHVYRGJGR-CXIVCQEWSA-N 458.646 2.757 30 10 JFEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O 1635344452 VSGXEZYLPUDUGZ-RKUWFUAISA-N 453.467 2.967 30 10 JFEE C#CCN(C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 1638330717 BKFVFYRVIXUCKY-MOPGFXCFSA-N 459.568 2.552 30 10 JFEE COc1ccc(C2=NO[C@@H](CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)cc1 1639336508 BOHNLDJRIFAJCO-QFBILLFUSA-N 452.898 2.883 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(N)=O)c1 1649540475 XEWKUSGTNSQULV-UHFFFAOYSA-N 467.599 2.788 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2cn(CCC#N)nc2-c2ccccc2)CC1 1656159338 HXGMIKPNALCUDT-UHFFFAOYSA-N 452.559 2.633 30 10 JFEE C#CCN(C(=O)NCCNC(=O)c1cccnc1)[C@H]1CCOc2ccc(Br)cc21 1665738095 TVVHWOPNZFDBSQ-SFHVURJKSA-N 457.328 2.743 30 10 JFEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)[C@H]1CCCO1 1671889448 GTPHCIZHXFPEBE-XZOQPEGZSA-N 459.612 2.931 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1681285122 AHYCDAUDAJQHGO-MSOLQXFVSA-N 460.579 2.651 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1689986880 YTOGPDWLUOKOAP-IBGZPJMESA-N 467.620 2.931 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCCc1cnn(C)n1 1690092634 PFHLWVFANMOXRT-UHFFFAOYSA-N 461.549 2.680 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccnc2)CC1 1690154255 LUKGQBAECOINNW-FGZHOGPDSA-N 464.614 2.800 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CCCO)CC1 1690173012 UBRJFAOJPZIWJS-UHFFFAOYSA-N 469.659 2.807 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1OC 1690175208 ROZHESGRMHIGED-MJGOQNOKSA-N 460.625 2.897 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1690196753 WXHJKHXAOFXDSC-UZUQRXQVSA-N 458.584 2.779 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1690228450 XKAJHJDXXSKDFS-ARFHVFGLSA-N 495.422 2.877 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1690511908 FXFHMBVEZZPPMF-MSOLQXFVSA-N 476.578 2.584 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1690574337 WYRKVRUUHQRCNW-UHFFFAOYSA-N 498.638 2.626 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690636039 BWDVKPOTWMCFCS-UGKGYDQZSA-N 482.629 2.917 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690658911 DDXVFCLAKWXSED-UHFFFAOYSA-N 495.628 2.533 30 10 JFEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690736224 XCQMXHVYRPYWBL-UHFFFAOYSA-N 468.583 2.538 30 10 JFEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)C[C@H]1C 1695803716 FPPYPEWPRSPBGX-WOJBJXKFSA-N 451.619 2.846 30 10 JFEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1698459210 HJBNPOXEKSWEDY-SIKLNZKXSA-N 479.629 2.763 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCCC[C@H]2CC)c1 1705507432 BCXLKYTYLNIVHD-HSZRJFAPSA-N 491.640 2.721 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(O)CCN(C(C)C)CC2)c1 1705508386 UNKSMTNMSPIMJN-UHFFFAOYSA-N 464.614 2.522 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705532821 RHFWNCQBEMXOOC-OAQYLSRUSA-N 486.661 2.965 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1705538324 KFQJCJSFVWVVPC-HXUWFJFHSA-N 465.579 2.967 30 10 JFEE C#CCCCn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705539721 ZNUFVSURFFTQQS-HSZRJFAPSA-N 460.648 2.736 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705567050 SSRQOSUJGFBGEG-FGZHOGPDSA-N 486.638 2.966 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC1 1705648651 VOAUEMKKTVBKMQ-UHFFFAOYSA-N 483.020 2.771 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C(C)(C)C)no2)CC1 1705649638 BTJACVNQEQIDPP-UHFFFAOYSA-N 481.626 2.933 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OC)c2)CC1 1705650602 UZUVWWUEDSTGQS-UHFFFAOYSA-N 464.595 2.657 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1705652189 RWXDWBUXYAVQLU-KRWDZBQOSA-N 476.597 2.944 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705664443 PEXBNUPLFXWWFZ-HSZRJFAPSA-N 474.652 2.855 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COc2ccccc2)C1 1705680791 HMOZLDPQQKMKME-HOTGVXAUSA-N 484.420 2.702 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1705687689 IFANPBCMRRHHQW-GVDBMIGSSA-N 473.437 2.732 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1705693017 AMRZVWSDSHBOLO-ONTIZHBOSA-N 472.634 2.628 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705722985 TWNKBDOKDDDURA-SFHVURJKSA-N 457.575 2.706 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCS(=O)CC1 1705730235 FFIJDABUMPHGCV-UHFFFAOYSA-N 469.405 2.878 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1705859190 KSYZJGPXIPHVIZ-FUHWJXTLSA-N 467.686 2.930 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 1705869008 IVDCEXZOKOTSEI-UHFFFAOYSA-N 464.614 2.698 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1705894688 HNILTROIFVWEII-HXUWFJFHSA-N 475.553 2.968 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)C(C)(C)C)C1 1705924986 IVOFUZDJNHSCKF-PXNSSMCTSA-N 455.559 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](COCC)C1 1705932297 AZHOBYXHHQIIPC-KRWDZBQOSA-N 462.572 2.528 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1Cc2ccccc2O[C@H](C)C1 1705935387 PNDKFKWYPDLISE-GOSISDBHSA-N 453.568 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705935737 CEAYJZYAZJHDKY-IAGOWNOFSA-N 465.645 2.786 30 10 JFEE Cc1cc(C)n(-c2ccc(Cn3c(C(=O)Nc4ccccn4)nnc3N(C)C[C@H](C)C#N)cn2)n1 1707807650 ICGFVAQZNKFFHG-MRXNPFEDSA-N 470.541 2.767 30 10 JFEE CCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709452297 FMYYZNSKQNSGCO-RXFWQSSRSA-N 474.613 2.991 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722358778 GCRCDJGEWAFDTO-DVECYGJZSA-N 482.610 2.513 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNc1nccc(C(F)(F)F)n1 1722380170 HAZYXODMVUJNOW-UHFFFAOYSA-N 493.453 2.588 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(N(C)C)CCC1 1722381761 BHCKREJAPZVEEF-UHFFFAOYSA-N 454.619 2.950 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCCCC1 1722394139 OFSGORMRTHFSEJ-UHFFFAOYSA-N 481.670 2.966 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)Br 1722420275 GSESMPQOWCGYTN-CQSZACIVSA-N 456.266 2.996 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cc(Br)cn2)CC1 1722433834 HRRRTIDDDDHQSR-UHFFFAOYSA-N 499.373 2.658 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)COC)CC1 1722493985 LAZYTWIKRWQEFT-NQIIRXRSSA-N 491.539 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722494151 BMWOWGICGPDZQA-ZVDOUQERSA-N 459.616 2.705 30 10 JFEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1722518592 YZCXUQSJIDJCAM-UHFFFAOYSA-N 458.994 2.945 30 10 JFEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1722564972 VCRKQIAEMSOSKC-NRFANRHFSA-N 468.602 2.507 30 10 JFEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722683931 FHNSTBSELXZIKY-UHFFFAOYSA-N 473.419 2.946 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722706616 VJKCABMZTQOFFE-LJQANCHMSA-N 484.601 2.880 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1722728241 SZWZWBVQKIXJNJ-CQSZACIVSA-N 462.526 2.681 30 10 JFEE C#CCCCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740578653 KUWIVPJCIGPUGI-DNQXCXABSA-N 456.591 2.608 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1740620791 XZVYEBJHENEMHY-RTBURBONSA-N 475.596 2.766 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1740624030 CVVRWEMOBJVBJZ-QFIPXVFZSA-N 479.606 2.532 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCSC1 1740640403 MQFJZANBLROGRI-MOPGFXCFSA-N 459.616 2.803 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740678304 IUMKAGHQJRDNOJ-XZOQPEGZSA-N 482.604 2.851 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1740708339 LYFDEZDESDISCF-SFTDATJTSA-N 465.598 2.681 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(Cl)cccc2C1 1740717138 KTHBMTMUUGLNCU-MRXNPFEDSA-N 451.017 2.763 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740736195 GPFKZICMAVEDIE-SFHVURJKSA-N 494.438 2.824 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC2CC2)CC1 1740826408 JKWLJBRQIMQMGC-LJQANCHMSA-N 495.646 2.568 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCOC)cc2)CC1 1740839331 INMRMNMCAIYPJN-FQEVSTJZSA-N 460.600 2.656 30 10 JFEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1740944700 WNMBGDPDFMLXOS-MOPGFXCFSA-N 486.686 2.981 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740955077 WLHHTTJFBSJLCP-DLBZAZTESA-N 460.376 2.873 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)C1 1740980314 OSNQIODXIYQTMO-IRXDYDNUSA-N 465.476 3.000 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1740984047 VFEOTBCPGLRQHY-SFTDATJTSA-N 460.648 2.772 30 10 JFEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1742934743 BIENNVUWFRIEJJ-OYRHEFFESA-N 499.685 2.656 30 10 JFEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1745681140 CQLJLAMHAXOSSI-LJQANCHMSA-N 456.616 2.562 30 10 JFEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1748735101 OIABBNGCAIMQFZ-UHFFFAOYSA-N 482.386 2.875 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1748735252 NTJKHBKJIFFPRN-NRFANRHFSA-N 467.599 2.684 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)OCCc2sccc21 1748776340 FXFVDUYKACDCNY-QFIPXVFZSA-N 456.593 2.968 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1748822156 ZACXGGCGWVWEKS-FQEVSTJZSA-N 483.594 2.640 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1OCC=C 1748840711 HMFFSVNJIMCCRP-UHFFFAOYSA-N 474.590 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N2CCOCC2)CCSC1 1748882566 XGHRFGZCTWDENY-XMMPIXPASA-N 480.594 2.524 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nnc(CC)s2)CC1 1748977968 GPJTZDKRFLYQEB-UHFFFAOYSA-N 472.416 2.925 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cccc(F)c2)CC1 1748990168 UYZPCKGAQZOKHL-JOCHJYFZSA-N 498.603 2.724 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)c2ncc(C)s2)CC1 1749016735 MHNNHXOMHVTXFA-QGZVFWFLSA-N 463.611 2.798 30 10 JFEE C=C(Br)Cn1c(C2CCCC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749101747 FZBNBCMAOLOCHD-MRXNPFEDSA-N 461.426 2.874 30 10 JFEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1749110088 GCSUEDUKTMIQTD-FQEVSTJZSA-N 465.348 2.770 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1749187576 VBUFFPRGFLWVBU-OAHLLOKOSA-N 461.492 2.841 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1749235048 NAOBIRAZSYPKBS-UHFFFAOYSA-N 454.575 2.744 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749414842 JTUKWGZTEOSUIS-QGZVFWFLSA-N 462.576 2.927 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749454957 NNWSAGQCEMKLHY-UHFFFAOYSA-N 479.585 2.881 30 10 JFEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749637998 RHNOILDNLITGJL-UHFFFAOYSA-N 464.536 2.722 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749661132 ZILYBQNXMLANOS-MOPGFXCFSA-N 469.586 2.908 30 10 JFEE Cc1cc(C)n(CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)n1 1751859868 ADJZWHBQWXDFEU-QFIPXVFZSA-N 476.585 2.770 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1760180227 ANKKGUCVDUPOMZ-QGZVFWFLSA-N 455.927 2.738 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760181433 VNWBXSHBPZJQLW-RTBURBONSA-N 490.601 2.879 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1760190287 VFDFSVODNGTTGX-SFHVURJKSA-N 453.568 2.646 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760192202 SBGANAZFPDVCTP-VQTJNVASSA-N 478.565 2.504 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)COCCO1 1760239954 BVUFCVFEBPKPGS-LOSJGSFVSA-N 472.561 2.903 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)CN1CCOCC1 1760244849 JDADHYHSSFANGP-KRWDZBQOSA-N 494.409 2.901 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC[C@@H]1CC 1760247613 IKKJUOCUQNPMFA-FQEVSTJZSA-N 477.613 2.543 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CC1 1760270844 BZWDXKUSCJYOCH-UHFFFAOYSA-N 489.605 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1760312585 ANXSEBYUTQEUAZ-BVSLBCMMSA-N 475.634 2.952 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1760324475 KRIWMEWKKILTPW-JTSKRJEESA-N 478.590 2.991 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1760440449 KHGZKTFVZCFTGT-IBGZPJMESA-N 476.622 2.857 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1760532348 SOHVHWFCPZTICO-KRWDZBQOSA-N 458.588 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1760551035 RITKEZSGMMKJNX-HOTGVXAUSA-N 464.588 2.664 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1760556481 FHOLCPMRELKOPV-IRLDBZIGSA-N 462.579 2.608 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760560906 JGOBEIPEQIDVSP-NRFANRHFSA-N 471.631 2.989 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC(C)CC2)CC1 1768201028 BCWFPFUNOGICMC-UHFFFAOYSA-N 470.643 2.952 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1772566693 AWJNYNYOGGSPHG-FCHUYYIVSA-N 452.603 2.780 30 10 JFEE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772750550 WOSIBLBYRMGZCF-UHFFFAOYSA-N 455.584 2.677 30 10 JFEE COC(=O)[C@H](CCSC)NC(=O)[C@@H]1CC[C@@H](NC[C@@H](N)CS)C[C@@H]1C1CCCCC1 1848357789 TUANERSYVPPPKH-WAPOTWQKSA-N 459.722 2.609 30 10 JFEE Cc1cc([N+](=O)[O-])ccc1-n1cc(/C=N\NC(N)=S)c(-c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)n1 1857808129 PZXCJVJSLJLGGT-TYSVLMOXSA-N 479.522 2.667 30 10 JFEE CCOC(=O)N1CCC(NC(=O)c2nc(C(=O)Nc3cccc(C#N)c3)n3ccccc23)CC1 1858241987 MZHVRDKWIXKRKC-UHFFFAOYSA-N 460.494 2.809 30 10 JFEE N#Cc1cccc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2)c1 1858447309 DDBDCTXXNUFQOU-UHFFFAOYSA-N 465.510 2.856 30 10 JFEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 1861590175 WYGVGVCNFMXLCZ-XANCMCCPSA-N 477.561 2.551 30 10 JFEE CCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCN1C(=O)c2ccccc2C1=O 1861783091 JGGVMICJZYHOOR-WIYYLYMNSA-N 457.571 2.501 30 10 JFEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862405668 SDZHDGQKOQBGNC-NRFANRHFSA-N 466.490 2.505 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2C)cc1OC 1862575988 JZRGJIGYCRHUGQ-HSZRJFAPSA-N 466.534 2.923 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1862737539 ILSSAHXCMHMLJS-OAQYLSRUSA-N 496.476 2.804 30 10 JFEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 1862757356 HITIERREKXXEKI-QFIPXVFZSA-N 476.489 2.987 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864892309 GBHIWODEIRHGTR-SFHVURJKSA-N 469.498 2.532 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCOC)CCOC)=C(N)Oc2c1c(C)nn2CC 1865223985 JLKUROYSSMIZLX-OAQYLSRUSA-N 470.570 2.592 30 10 JFEE O=C([C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCN(c2ccccc2)CC1 1869929625 JXDCPKYVBRHKBC-QHCPKHFHSA-N 474.586 2.685 30 10 JFEE CCc1sc([C@@H](C#N)C(=O)CN2CCN(C(C)=O)CC2)nc1-c1ccc(OC)c(OC)c1 1872799819 LTNTWMLRNUOZKD-KRWDZBQOSA-N 456.568 2.730 30 10 JFEE C=CCn1c(C(=O)NCCc2ccc(OC)cc2)cc2c(N(CCOC)CCOC)ncnc21 1873593494 CWYGBACAXNSRFU-UHFFFAOYSA-N 467.570 2.698 30 10 JFEE CC(C)(C)N1C[C@H](C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2C[C@H]2CCCO2)CC1=O 1873711113 GSMOIORNDRXMJP-HZPDHXFCSA-N 482.606 2.792 30 10 JFEE O=C(NCC#CCN1CCCCCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1890832271 MAHQXZLZFJXQGU-OAQYLSRUSA-N 496.471 2.988 30 10 JFEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(F)c3)CC2)c1 1891931241 KAVYQPQCKVQQAT-OAQYLSRUSA-N 472.542 2.563 30 10 JFEE CC(C)NC(=O)C1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1892084068 ZMGCJHDCORTQMV-FCHUYYIVSA-N 456.612 2.715 30 10 JFEE N#Cc1ncccc1OCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)C1 1892258598 OVQKOEMVFDXYTL-UHFFFAOYSA-N 474.542 2.856 30 10 JFEE Cc1cc(CNS(=O)(=O)N2CC(OCc3ccccc3)C2)sc1B1OC(C)(C)C(C)(C)O1 2137604127 RVRUMSIAVMAWNV-UHFFFAOYSA-N 478.445 2.591 30 10 JFEE N#C[C@H]1CN(C(=O)N2CC[C@@](COCc3ccccc3)(C(=O)O)C2)CCN1Cc1ccccc1 2159934845 NMXIAKFCKOTKEC-JYFHCDHNSA-N 462.550 2.810 30 10 JFEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255836826 FPAXTOIVHYIJJY-NJDVURJYSA-N 455.361 2.568 30 10 JFEE COC[C@@H](CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2256676123 MKCUBSLWMHITFL-OAHLLOKOSA-N 454.398 2.593 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267001452 LFYGJYSEWNYIKA-HNNXBMFYSA-N 466.409 2.803 30 10 JFEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267177378 NAWHIYVTQSHPIR-UHFFFAOYSA-N 470.807 2.750 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCN(C)C(=O)OC(C)(C)C 2267354170 AIGRLTDHXDQDAS-UHFFFAOYSA-N 468.425 2.830 30 10 JFEE Cc1ccc(S(=O)(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267362094 MSBVRMCHXNBAKP-INIZCTEOSA-N 468.425 2.876 30 10 JFEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267373899 JNWKANIGMOUZRA-ZBFHGGJFSA-N 486.465 2.971 30 10 JFEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2267537382 ICMPPZOPYJLESV-PEBXRYMYSA-N 463.409 2.819 30 10 JFEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CC1 2267576124 JMLDTJSEQXLSSH-UHFFFAOYSA-N 452.401 2.985 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)N(OCc3ccccc3)C3CNC3)c(Cl)c2)OC1(C)C 2267702686 KIXPQCSJYGVCOI-UHFFFAOYSA-N 478.807 2.734 30 10 JFEE CN(CCCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267710407 VAMYQEVNGNSOQQ-UHFFFAOYSA-N 468.425 2.662 30 10 JFEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281770984 AYPYMUXBDGXQAB-DOMZBBRYSA-N 458.261 2.797 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281778956 ANMXFTSZDYTHBT-IAGOWNOFSA-N 464.343 2.537 30 10 JFEE Cc1c(C(=O)NC[C@H](CC(C)C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281797337 UATXCCNFJKZOGN-INIZCTEOSA-N 464.416 2.697 30 10 JFEE CC[C@H](CN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC)NC(=O)OC(C)(C)C 2281970242 DTYZCMBMFWFNJQ-MRXNPFEDSA-N 464.416 2.968 30 10 JFEE C[C@H]1C[C@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2281970769 FIULQPCBTUZXOP-HOTGVXAUSA-N 462.400 2.579 30 10 JFEE CC(C)[C@H](C)[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2281979390 DAJJLIYKULYIBE-RDJZCZTQSA-N 464.416 2.635 30 10 JFEE CCc1nn(C)c(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281985227 KIPJQVJBCMIWRL-GOSISDBHSA-N 452.408 2.628 30 10 JFEE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282007769 FBAGVPLYFJJZGI-INIZCTEOSA-N 479.452 2.637 30 10 JFEE CCn1cc(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282033225 QLSZXXRJLCNTHM-CVEARBPZSA-N 462.400 2.768 30 10 JFEE CCn1cc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282037039 QMRIRLKBLIUEEM-CVEARBPZSA-N 462.400 2.578 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(C(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282189427 JZVHLVPFRUDBGV-GOSISDBHSA-N 457.380 2.900 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2282190571 QXXNWZFTTPFKAQ-VOIUYBSRSA-N 457.380 2.900 30 10 JFEE C[C@H]1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282341954 AAEGJOKSKPQTCC-FUHWJXTLSA-N 480.436 2.910 30 10 JFEE CN(CCOCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)OC(C)(C)C 2282397917 UMQMSKGYEQRSKI-UHFFFAOYSA-N 466.359 2.738 30 10 JFEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CCC1 2282508505 XDQDEHMOHKXNSK-UHFFFAOYSA-N 480.436 2.853 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)F 2282512683 JXFAKOIITDJWQG-HOCLYGCPSA-N 467.322 2.611 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2282561861 VEFSVBZXPLNYPA-HOTGVXAUSA-N 464.368 2.689 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1 2282586873 FHIDIBPPMJCMOM-HZPDHXFCSA-N 462.400 2.578 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@](C)(CC)CNC(=O)OC(C)(C)C 2282594722 KDXSYPPBWNKKTR-HSZRJFAPSA-N 464.416 2.968 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282679221 XDOZKTYVXAHUCF-FUHWJXTLSA-N 457.380 2.852 30 10 JFEE Cc1ccc(S(=O)(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)c1 2282824871 FHRKYYCMGQAKOS-WOJBJXKFSA-N 468.428 2.703 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282843882 UHDHHPUTEPKBGK-OPAMFIHVSA-N 498.476 2.866 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282861536 PFGVFGJIBFWFKB-MWTRTKDXSA-N 478.420 2.664 30 10 JFEE 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C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1508058870 IUBPFKRLGYVXMJ-HRBLRVMOSA-N 465.620 2.733 30 10 JFEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1508071312 YEQJRMBBIMSUCQ-KRWDZBQOSA-N 471.537 2.985 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1508085096 FJKCQFVVESAZCD-QZTJIDSGSA-N 463.586 2.992 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OC)C1 1508137283 ZKNITTSTLZUVAG-CQSZACIVSA-N 473.368 2.673 30 10 JFEE Cc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)c2ccccc2n1 1510617309 FENJMWWELGDYCN-JOCHJYFZSA-N 471.562 2.572 30 10 JFEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCN1CCOC 1514375632 COYWEQLYSABGGA-RCZVLFRGSA-N 452.603 2.915 30 10 JFEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1515184998 GORUPWRKBBEUDL-UHFFFAOYSA-N 461.570 2.817 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1517449249 AEPGLMBHFSDVHL-AWEZNQCLSA-N 452.588 2.832 30 10 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C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 1622029297 RRMQNNIPBFNTSY-HSZRJFAPSA-N 456.564 2.947 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)ccc1F 1626474244 DGFYDYWGWDSFTH-UHFFFAOYSA-N 450.507 2.639 30 10 JFEE C[C@H](CC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)/N=C1/NS(=O)(=O)c2ccccc21 1628672233 DSGHPVBERTZUJI-BZNIZROVSA-N 456.351 2.660 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 1631744530 GTRNBNBQCQAGSU-LBPRGKRZSA-N 453.856 2.955 30 10 JFEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 1631920786 HCSAXQKPERGVIG-HHHXNRCGSA-N 452.378 2.605 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC 1632484241 DJKQYPDCXJMHIA-UHFFFAOYSA-N 455.536 2.887 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)(C)C3CCOCC3)nnc12 1639092029 ILKPXUPVEHKLAE-UHFFFAOYSA-N 455.584 2.891 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1 1659389688 HYBWFBCSTFFFME-UHFFFAOYSA-N 453.973 2.865 30 10 JFEE 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C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2C)CC1 1690411931 YFGNZSTYXQJWEC-DENIHFKCSA-N 489.642 2.789 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1690567363 ASZDGWSVTIJOIG-UHFFFAOYSA-N 459.616 2.806 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(C)(C)C)C1 1690717292 AURJEMHNGYLYSQ-INIZCTEOSA-N 486.436 2.888 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CC)C1 1690728913 APSNIMFTCPIRHJ-KRWDZBQOSA-N 454.980 2.727 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1690752702 OOKFXVOJRDHEAB-OALUTQOASA-N 478.663 2.790 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1692346399 DDDPVDRYNUUQJX-IBGZPJMESA-N 469.615 2.996 30 10 JFEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1696582336 FKZYDLXCTFKJTP-NRFANRHFSA-N 466.586 2.850 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1697926053 GELWPSBRNKOQRW-PGRDOPGGSA-N 454.556 2.639 30 10 JFEE C[C@H]1CN(C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1698458152 BYRWYXZGFKGKJQ-IBGZPJMESA-N 479.629 2.669 30 10 JFEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705511279 ONJZLIOAWXIUHI-QGZVFWFLSA-N 484.511 2.882 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705565241 HKRJVFXALJKARF-MOPGFXCFSA-N 463.003 2.695 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705568983 XRBCZFQSTFSFBC-GOSISDBHSA-N 458.584 2.683 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNc1ccccn1 1705595915 LAAPNZGEPILYKM-UHFFFAOYSA-N 466.549 2.552 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCCC1 1705621121 RZLLONXHTKUTCO-FQEVSTJZSA-N 452.578 2.911 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(=O)N(C)C)c1 1705623904 IQCLVQWBYJYIJC-UHFFFAOYSA-N 452.946 2.830 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C(C)C)N1CCOCC1 1705624536 FDCLMPIXXQNVQD-DEOSSOPVSA-N 462.598 2.936 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)ccc2OC(F)F)CC1 1705642308 OZGOSBGYRZZQGL-UHFFFAOYSA-N 469.540 2.853 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1705644165 ZTVAEBULSHVUME-HXUWFJFHSA-N 494.086 2.946 30 10 JFEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705656054 PRRTXCVTZJBOJM-SFHVURJKSA-N 471.583 2.748 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1705692117 ABBMHRYSRQHZHJ-QGZVFWFLSA-N 484.420 2.761 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705694172 PBLWKRAFFYDWPE-CTNGQTDRSA-N 497.600 2.821 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705896762 XHAOIMZJUFIODM-UHFFFAOYSA-N 495.584 2.821 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccccc2Cl)C1 1705916099 YXCXIHVJBHRODE-HXOBKFHXSA-N 459.978 2.857 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2cc(F)ccc2C1 1705937864 GWUNLFGIGNUAOK-UHFFFAOYSA-N 489.598 2.572 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705946813 RMLBZGSJRJDQOE-LJQANCHMSA-N 494.658 2.813 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1706100052 CGBRFCZMVTTYGD-NQIIRXRSSA-N 487.626 2.708 30 10 JFEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C(=O)OC(C)(C)C 1706798415 CYESPGVOOZEVIF-QUCCMNQESA-N 496.616 2.631 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CC1(C)C 1708751153 AHWAGIZHTVGLQH-GOSISDBHSA-N 450.591 2.836 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722353209 UHBULRKIQQQICB-WOJBJXKFSA-N 474.650 2.961 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722363152 DIFQIWOTAQCLPB-YPIGPJMWSA-N 470.639 2.998 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1722373752 MCKFHNDHOPCJCS-MHZLTWQESA-N 475.593 2.562 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1722446772 BEEZGGTZJSRKNC-UHFFFAOYSA-N 474.613 2.688 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1722475468 DCBTWSLREWQXQJ-XMMPIXPASA-N 466.611 2.725 30 10 JFEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722596984 DAZWYXNZYFASLE-GOSISDBHSA-N 470.574 2.883 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722626901 JNIMNNSRGDBTAA-FGZHOGPDSA-N 489.661 2.865 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722683116 GHVYLOHSGMSABD-UHFFFAOYSA-N 454.478 2.923 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722695610 JPTZYOMSAMLZAA-OAQYLSRUSA-N 450.587 2.552 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1722727337 HURJFADQRQJROE-OALUTQOASA-N 481.663 2.913 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722732445 ZDAXWUCXNVCTQG-UZLBHIALSA-N 464.563 2.601 30 10 JFEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)NC(C)C)cc1 1724424093 DIHIAUVOYQXQNP-UHFFFAOYSA-N 460.604 2.623 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1728358869 GRNHPZHNYZCVBH-UHFFFAOYSA-N 473.585 2.742 30 10 JFEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C(C)=O)CC1 1730337742 ANZSZJIIDKYNNW-IBGZPJMESA-N 470.599 2.566 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740569459 DCIJXZKQJCDLNY-OAQYLSRUSA-N 494.640 2.899 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1740593637 LIUODCFZJPAGFL-FQEVSTJZSA-N 476.672 2.878 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1740618287 GBBCEQCVBMZZTR-OAHLLOKOSA-N 485.379 2.510 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740624169 DCRNWNMQAYKUKB-FCHUYYIVSA-N 481.622 2.700 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1740625178 DPGZALPPFRUIFS-IFMALSPDSA-N 472.611 2.788 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740626405 AUNPCTYSWZFKAK-UYAOXDASSA-N 460.625 2.688 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740626973 ZJURFHDOQTZRFT-CEMLEFRQSA-N 456.612 2.505 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCCCC1 1740639986 HOMVRFXBCBCGHE-NRFANRHFSA-N 484.645 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)(F)F 1740655824 JYMVMVWGFRJPKH-UHFFFAOYSA-N 496.534 2.534 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2sccc2Br)CC1 1740697854 IAHHSCDDUOWEAD-UHFFFAOYSA-N 457.401 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cc(C)on2)CC1 1740702708 WDVPRQITQMSWCG-KRWDZBQOSA-N 466.517 2.868 30 10 JFEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740715768 NJXUKHDXLPHHPK-GOSISDBHSA-N 486.667 2.569 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1740763163 ZCBYFHNQUPUPGV-AABGKKOBSA-N 477.606 2.794 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)s2)CC1 1740825982 VUZPYLAWVGXEPS-MRXNPFEDSA-N 472.036 2.725 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740853124 XRWKVSJTVCFSMK-CLOONOSVSA-N 488.633 2.688 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1740876648 WEDIQVILUHIJBJ-FQEVSTJZSA-N 467.636 2.505 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740882126 BDGFBUSQRKFVNG-HSZRJFAPSA-N 476.599 2.570 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1740930096 GORCCVSLXBZASW-LJQANCHMSA-N 462.602 2.798 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740930637 WLKMATRRZHIUQW-IBGZPJMESA-N 467.599 2.591 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cc1 1740965410 IYFACIOCYZRTLF-SFHVURJKSA-N 491.552 2.815 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccoc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965758 SEYMFKIBGLHSOH-HDICACEKSA-N 458.563 2.889 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1740988206 WVYBCGAOTPRJQR-QFIPXVFZSA-N 464.588 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740988972 VNACBPUGNUBNLX-GOSISDBHSA-N 479.050 2.907 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 1741002253 GTXYCIFYJDWXDX-IBGZPJMESA-N 483.635 2.614 30 10 JFEE CC(=O)Nc1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)cc1 1741065541 CBHGUCPZHCHLDZ-SFHVURJKSA-N 484.358 2.966 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CC(F)(F)F 1741674523 FHZPUNSSKYQBCK-UHFFFAOYSA-N 472.475 2.725 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1 1748121435 FWZJQPXAFMNZDQ-MWTRTKDXSA-N 468.583 2.516 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1748718485 QRAUNAKHNWQLDM-HXUWFJFHSA-N 478.018 2.631 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1748815573 RIVUAQZSSITODD-VXKWHMMOSA-N 484.670 2.930 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCc2nccn2C1 1748956946 PAHBCIYNTLECER-SFHVURJKSA-N 450.543 2.507 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1noc(CC)n1 1748963083 XZAKZIWIYAHXTQ-UHFFFAOYSA-N 487.605 2.667 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1749015115 SFNOXIPXUONJPY-IBGZPJMESA-N 491.514 2.889 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1749016987 RTZDCRAPESFNHS-BVZFJXPGSA-N 453.562 2.525 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749020420 SEEZIPPVZFVORS-UHFFFAOYSA-N 495.634 2.624 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1749022956 OEQYAJIMPONIQP-IAGOWNOFSA-N 487.655 2.515 30 10 JFEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749029729 VOMOPUUXHNFCEU-UHFFFAOYSA-N 473.046 2.709 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1749159830 ZQZKIFYNSKJQKD-QZTJIDSGSA-N 453.584 2.650 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749176069 XZXPIDDCUJMWAU-OAQYLSRUSA-N 472.659 2.529 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)CC1 1749302897 AOPINGGSSFISFN-KRWDZBQOSA-N 453.609 2.594 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749370977 VWHXSGWPKMIDSF-UHFFFAOYSA-N 485.658 2.979 30 10 JFEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1749449638 QZDPCGDXWRBCSH-UHFFFAOYSA-N 450.587 2.958 30 10 JFEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1)C1CC1 1749525654 QWJKSCKRESOLLN-UHFFFAOYSA-N 476.375 2.633 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1749552981 MRXVBALHUHQSQE-SJLPKXTDSA-N 451.618 2.808 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCS(C)(=O)=O)C1CC1 1749627719 WUAKMFVETYNCQL-UHFFFAOYSA-N 453.609 2.592 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCc1ccccc1 1749669333 JBNVNSCWOJNMLS-OAQYLSRUSA-N 498.628 2.958 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749678015 SGKZTSNTYLFVKK-CTNGQTDRSA-N 480.613 2.554 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C2CC2)C1 1749721870 VXDBJCMQOIVVMO-LJQANCHMSA-N 457.600 2.984 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1749731253 AAOLKXLSNJCJRV-GOSISDBHSA-N 478.640 2.934 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1750075314 CYHRKTIJSMNZGR-FUHWJXTLSA-N 458.588 2.541 30 10 JFEE CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1750770086 DQAOWGOQPSKIDW-FQEVSTJZSA-N 466.586 2.883 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1760181200 QYJCDYVSUFYKGH-PMACEKPBSA-N 482.610 2.777 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1760196456 OEYPZYNCFAPAHG-VWLOTQADSA-N 459.554 2.533 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cnccc2OC)CC1 1760256613 PYNABDDTVLXVAU-UHFFFAOYSA-N 497.397 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JSNFZOYBGOWOFP-IBGZPJMESA-N 481.578 2.778 30 10 JFEE CC(C)c1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 2328071915 QVAPHTHESOFYBD-REWPJTCUSA-N 459.546 2.925 30 10 JFEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2cccc(C)c2C)cc1O 2330726851 QUAGDVJDYFSTIA-UHFFFAOYSA-N 482.566 2.858 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2334263483 LZPHQWHXJIHUIA-YXWQFLTLSA-N 463.409 2.864 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2343099886 VFWVMLBDOPPGOX-ZWKOTPCHSA-N 450.360 2.585 30 10 JFEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345740404 CVZRKMLIUBXQID-JOCHJYFZSA-N 452.332 2.925 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CO[C@H]1C2 2359280774 RKGPUVIPUDHUIB-NXMSCROESA-N 458.364 2.540 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H](NC(=O)OC(C)(C)C)C[C@@]23CCOC3)n1 2362160202 PDHRNOTVGSZUHR-HOYKHHGWSA-N 459.396 2.952 30 10 JFEE COC[C@]1(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OC(C)(C)C)C1 2362562925 VNAUEOVENPVSSY-QFIPXVFZSA-N 481.424 2.588 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)(F)F 2362578912 RLXWKFREYPMRJN-STQMWFEESA-N 491.341 2.970 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)CC[C@H]1C2 2363697697 PYFGJBJFWNQBRW-UUOWRZLLSA-N 457.380 2.900 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2366876111 MLYARSWDYLJASG-DOTOQJQBSA-N 468.306 2.885 30 10 JFEE Cc1cc(CNC(=O)[C@H]2OCC[C@@H]2NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677093 HRVHFSSUBYNNOP-OALUTQOASA-N 460.380 2.593 30 10 JFEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2371994166 VYYKRIVTMCEASR-CVEARBPZSA-N 465.375 2.886 30 10 JFEE CN1CCC(COc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(NC(=O)OC(C)(C)C)CC1 2380330835 GWSKAZJOHHGURW-UHFFFAOYSA-N 465.375 2.888 30 10 JFEE Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccncc4)n(CCCOC(C)C)c3nc12 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C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1-c1ccccc1C 514835888 VKRPWSJVJNWVBE-UHFFFAOYSA-N 480.387 2.775 30 10 JFEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 729672710 DCENBYSGHYWTPP-UHFFFAOYSA-N 483.940 2.981 30 10 JFEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@H](CC(=O)O)C1 757266477 FUEMQGOAEWCWFR-UZUQRXQVSA-N 462.502 2.619 30 10 JFEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@H]1C(=O)O 757452888 REWNBKXNEUKMAO-YTFSRNRJSA-N 477.517 2.946 30 10 JFEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 925881009 FGGXWQAAIHUOLH-BNGSBABLSA-N 461.584 2.875 30 10 JFEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CC1(OC)CCOCC1 1186997773 SLBJKELJDBBRLL-QGZVFWFLSA-N 458.374 2.733 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Cl)cc1 1286324456 PYEWJGNPIZHESE-HXUWFJFHSA-N 480.034 2.747 30 10 JFEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1286351415 QTDMBIXZENMBOD-UHFFFAOYSA-N 450.493 2.918 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OCCN(C)C)cc1 1286362889 KLWVEPMNEOKUPE-UHFFFAOYSA-N 495.653 2.605 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1286389187 GWOMDOFXLZSSFN-QGZVFWFLSA-N 470.624 2.903 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286393892 LIYQWUDWOUYBGV-RXVVDRJESA-N 478.062 2.879 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286394470 OSWRVGNLJMECDN-IRXDYDNUSA-N 466.554 2.589 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC(F)(F)F)nc1 1286465477 OFXOMTKXLBYZHX-QGZVFWFLSA-N 453.465 2.643 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccc(Br)n2)CC1 1286475849 IEZHWYZHGZEFEM-UHFFFAOYSA-N 467.371 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2c(F)cccc2F)CC1 1286492007 CGZCJNQCZRNDEU-SFHVURJKSA-N 457.525 2.659 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1286568899 YLMSIVPQKACHIN-SFHVURJKSA-N 461.636 2.724 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1286585672 LMIHVZYECPHXSW-YOEHRIQHSA-N 471.530 2.644 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286610890 CWCUJOIYXMUCBN-HXUWFJFHSA-N 473.647 2.809 30 10 JFEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286633532 XSTQINPMCSJZCJ-UHFFFAOYSA-N 478.066 2.911 30 10 JFEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1286644554 BZSHMAMTOYOMHU-UHFFFAOYSA-N 499.641 2.551 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1286672843 QQJDFVXBNCWNQN-RTBURBONSA-N 451.637 2.982 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286676084 VVWJGRQYRTVVMG-UHFFFAOYSA-N 463.652 2.508 30 10 JFEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286711964 VGNQXMLHNULQFM-UHFFFAOYSA-N 454.560 2.639 30 10 JFEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1286731995 HTRIMBPECXHXSY-MRXNPFEDSA-N 464.563 2.652 30 10 JFEE 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2.627 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1540179848 BMKSZGFAIGCSKF-FQEVSTJZSA-N 495.596 2.891 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C[C@H](C(F)(F)F)O1 1545057707 ANFGONGZFKTYTO-KBXCAEBGSA-N 461.448 2.667 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCOC 1545918017 CAYWVTJDSCHSAD-UHFFFAOYSA-N 459.982 2.695 30 10 JFEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 1547179193 DKRRSFPQGYFTPW-GOTSBHOMSA-N 479.629 2.813 30 10 JFEE CCN(CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1547480190 AHEAGWDHMVPHFA-GHTZIAJQSA-N 458.632 2.809 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccc(C)c1 1548369262 RZDYRXYPFUONMS-IBGZPJMESA-N 466.485 2.511 30 10 JFEE CCn1ccc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]3C(N)=O)n1 1548377613 RPCKTLKVVCSDID-SFHVURJKSA-N 474.487 2.638 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)s1 1556354454 KMNIFXBIDFTFSZ-HNNXBMFYSA-N 459.634 2.811 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1587567868 LCQJDQKDVZEJBD-KOSHJBKYSA-N 452.534 2.956 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1587884528 YATRUHBQDKXZKW-HXUWFJFHSA-N 459.616 2.653 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588059588 QOHKNVVQHMLMGC-RBUKOAKNSA-N 491.608 2.648 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccc(Oc2ccccc2)nc1)[C@H]1CCS(=O)(=O)C1 1588074981 VHHCMLTXHPPPTI-FQEVSTJZSA-N 481.578 2.677 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC1CCOCC1 1588281163 ZJBZDLUHPYOKRV-UHFFFAOYSA-N 459.616 2.862 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC(F)(F)Br)n1 1588723945 RFPMVEHYXHNBAY-UHFFFAOYSA-N 480.317 2.811 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cnn(CCOC)c2)CC1 1588907271 AGSVFRXTVXAATA-UHFFFAOYSA-N 499.978 2.595 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1589382117 JIPAQROEDAIAQF-UHFFFAOYSA-N 471.363 2.682 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1589492576 CITHVISHCPTSMT-UWVAXJGDSA-N 464.563 2.773 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1593741787 XLPCLLXBLMMWMR-KOENEWCDSA-N 488.677 2.582 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1594497460 HMAQQWHTYRREGN-MSOLQXFVSA-N 460.579 2.918 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1595170361 BBAWKYARCZYVPF-SFHVURJKSA-N 456.978 2.955 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cnccn2)CC1 1595398482 FSJHEVFCYDHSDD-SFHVURJKSA-N 454.579 2.695 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1595894912 BWCVNCPOPWDVIQ-UHFFFAOYSA-N 468.627 2.719 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1596096608 TVHIOQMQSICFEG-QGZVFWFLSA-N 467.574 2.789 30 10 JFEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(CCCN4CCOCC4)CC3)CC2=O)cc1Cl 1597363170 CJGGPMAQMUKNTI-FQEVSTJZSA-N 458.990 2.916 30 10 JFEE Cn1cc(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 1611461928 DPJCEUDOPCSIJC-UHFFFAOYSA-N 457.943 2.597 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1615905158 HTTRRRWWLQHVRL-UHFFFAOYSA-N 464.492 2.873 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ncc(CC)s2)C1 1615972295 AHELRFTXMJXNIC-LJQANCHMSA-N 485.639 2.596 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1616002723 GTDOIWSXQZYHAD-NRFANRHFSA-N 467.574 2.646 30 10 JFEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCCCC2)C1 1618842039 GNKISMQKELNTAM-UHFFFAOYSA-N 460.629 2.622 30 10 JFEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1619589644 HHNDNCYSABPBGK-GOSISDBHSA-N 465.558 2.630 30 10 JFEE COCCN(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1628005056 BGGKLGIBUJBZJI-UHFFFAOYSA-N 458.378 2.626 30 10 JFEE C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)CN1C(=O)OC(C)(C)C 1634918270 CPTIQWWWVNZLPQ-UWVAXJGDSA-N 455.559 2.698 30 10 JFEE C=CCOc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)cc1 1658991503 DZKNMVJGQDBQCZ-UHFFFAOYSA-N 458.584 2.899 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689842920 LFUDEIYKYYYLGU-NSHGMRRFSA-N 457.600 2.616 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CCN1CCOCC1 1689938202 DPVVESXMWSISSF-UHFFFAOYSA-N 462.392 2.801 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1689987744 BPTCHQUBGCPOGH-SFHVURJKSA-N 487.532 2.925 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1689996000 BTTDYGQFZWPNHO-AZUAARDMSA-N 492.692 2.641 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689997328 ZZSGTBNMTGLNHT-SFTDATJTSA-N 487.695 2.990 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCSC1 1690003335 KSAWPZVLQLKKBO-GOSISDBHSA-N 456.641 2.763 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690115075 QMNAIBVYCHYBMY-JXFKEZNVSA-N 492.393 2.653 30 10 JFEE C=C(Br)Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690234324 AEVOMXKONWPHMM-GEEKYZPCSA-N 486.411 2.807 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690241750 WSHMYRGCHZFDJE-OIBXWCBGSA-N 499.612 2.675 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1690265322 MNXJRRFBUOELOJ-GOSISDBHSA-N 484.667 2.686 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690345911 GXQQQKFLDGSKRJ-HOIFWPIMSA-N 483.997 2.723 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1690609209 HSNGLRXTEJIMBO-MSOLQXFVSA-N 493.630 2.922 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1690613877 WWFOFXAVBKHDSS-UHFFFAOYSA-N 492.418 2.937 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690636140 IRMUFANXZJJLSW-SFHVURJKSA-N 468.602 2.718 30 10 JFEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690683044 ACFXFRPPFQCEBL-UHFFFAOYSA-N 494.640 2.751 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2c(F)ccc(F)c2C1 1690726551 DFDHJROSVXPTDG-UHFFFAOYSA-N 459.522 2.706 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCCS2(=O)=O)cc1C 1693107186 AYYVAHACFZBDJG-KXBFYZLASA-N 458.588 2.710 30 10 JFEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1695491441 GJXADXMAXBAJCP-YZGWKJHDSA-N 458.588 2.608 30 10 JFEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)C[C@H]1C 1695803714 FPPYPEWPRSPBGX-UXHICEINSA-N 451.619 2.846 30 10 JFEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1697859416 HFKQTAZJMMCJJS-QFIPXVFZSA-N 481.645 2.618 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCN1CCC(O)CC1 1705556190 MSQUGOJJAISUSF-UHFFFAOYSA-N 462.392 2.536 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1705563552 ZNRPQCKBXHSETG-YADHBBJMSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1705563809 GACGMAKMTJMUMU-FQEVSTJZSA-N 473.618 2.833 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705571219 WXJQCKOSSVWXRS-RDPSFJRHSA-N 458.628 2.791 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1705574780 NCBWUBTXYOHYSJ-RXFWQSSRSA-N 483.613 2.793 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1sccc1Br 1705623848 GQINLUOEZJBLBC-UHFFFAOYSA-N 499.398 2.879 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705655495 DLBFSFPJGFWKBH-OAHLLOKOSA-N 486.038 2.870 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705656863 LPUYJVIMJOBHLE-GOSISDBHSA-N 469.611 2.920 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705732916 KEUAAAABFDTECU-JOCHJYFZSA-N 463.586 2.992 30 10 JFEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCS(C)(=O)=O)CC1 1705768483 SNDLKIJSDCODCD-UHFFFAOYSA-N 467.636 2.984 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1)c1ccccc1 1705795141 DDJZGZFGRJGSPB-NRFANRHFSA-N 490.612 2.901 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1CC1CCS(=O)(=O)CC1 1705879890 OJVNLNNODPXEFI-UHFFFAOYSA-N 455.584 2.917 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2Cl)CC1 1705905386 TVQDEPSSPYXKEL-UHFFFAOYSA-N 451.962 2.546 30 10 JFEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705907369 KGRKBOSHWMKWDD-UHFFFAOYSA-N 477.613 2.667 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)CC[C@H]1C 1705936585 UOJOQJBCLLQCIF-RBUKOAKNSA-N 473.647 2.678 30 10 JFEE C[C@@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCO1 1707987572 FAASNDWLVLDBMX-MISYRCLQSA-N 452.559 2.636 30 10 JFEE CCCOc1ncccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1709869847 IETHNHKCTVIHNE-MRXNPFEDSA-N 472.347 2.997 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722307264 SQNMYOANKYJFNO-QHCPKHFHSA-N 491.640 2.694 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1722354073 ZCYWEOYKZHOWCW-HXUWFJFHSA-N 477.613 2.635 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCn1cc(Br)cn1 1722412810 FFNYKWCTGQNSOZ-GOSISDBHSA-N 457.332 2.909 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=C)Br 1722419437 ANFZSZWYQNVYBV-MRXNPFEDSA-N 467.364 2.868 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)C)n1 1722430099 WVVOZPVDSHEOAZ-UHFFFAOYSA-N 460.542 2.733 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)n2)CC1 1722444017 SJAGYWQWAGANQU-MHZLTWQESA-N 494.640 2.621 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1722449790 ZOHRKLYWMGUKJR-NRFANRHFSA-N 477.657 2.740 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722453593 YTPJTDXLPAXEEU-HXUWFJFHSA-N 454.600 2.619 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722495620 XXLYKXCMAZYCIG-DENIHFKCSA-N 498.603 2.889 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722527707 RITBFTQSDKYGRK-XMMPIXPASA-N 452.559 2.599 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 1722533629 WJAISTMPJIPHEA-YADARESESA-N 477.606 2.796 30 10 JFEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722556864 GRUAODHHUZHPCP-UHFFFAOYSA-N 477.034 2.732 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1722580730 NENDUGXNCVVRLU-LEWJYISDSA-N 487.693 2.836 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1722658216 GVCBXPIKIOMQSX-IBGZPJMESA-N 459.616 2.678 30 10 JFEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722688209 USDMOAYCQGDLBC-QHCPKHFHSA-N 468.646 2.891 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(F)(F)F)C1 1722719565 VZVKYDZTNXXPRM-HUUCEWRRSA-N 461.485 2.930 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722726268 AGNGPTYXXAGHFE-UHFFFAOYSA-N 450.992 2.898 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)C1 1722764950 GAIHMBDTUHBXBC-GDBMZVCRSA-N 462.396 2.900 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)C(C)C 1740682517 YHJNXPHXXPSCMR-UHFFFAOYSA-N 454.394 2.627 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740694213 CIBPRVZEOGWZDE-VQTJNVASSA-N 460.623 2.824 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)C2CCCCC2)CC1 1740700214 KBZGGAZLBAPWPR-AREMUKBSSA-N 467.614 2.952 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1740702047 UYBAKWHEOHHIJV-UHFFFAOYSA-N 481.004 2.959 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1740704654 QTMQKLOQEUMTMV-FNZWTVRRSA-N 463.630 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNS(C)(=O)=O 1740754812 VXWZMWQIWMWMDM-PXNSSMCTSA-N 459.572 2.658 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740761796 PGTYQUACDFFTFV-FQOCKNPQSA-N 474.650 2.538 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740782388 QPDFXUSPQHLDJH-IBGZPJMESA-N 478.575 2.510 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1 1740853677 HLOLALCASFILNF-ICSRJNTNSA-N 459.616 2.743 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740893278 DMBICLJIGIQMNW-LAUBAEHRSA-N 475.615 2.789 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1740918853 VPTSEOCBEVNOCE-ACRUOGEOSA-N 477.606 2.942 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740944299 YHHYFHSPKYFEQX-UHFFFAOYSA-N 474.363 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740985538 IHPSGXBXCUFIMY-KSSFIOAISA-N 452.543 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C(C)C)C1 1740987592 JBNWQEBVKBQBHB-LJQANCHMSA-N 498.696 2.527 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740988031 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AUHAEKGBXNAPRJ-LJQANCHMSA-N 482.635 2.831 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1748819772 TWMGSYUMYZDSQD-QUCCMNQESA-N 469.636 2.831 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748820681 GXJAPHPSCRORMO-HXUWFJFHSA-N 472.611 2.703 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OCC(F)F 1748882402 QRJJREUYZBSURZ-UHFFFAOYSA-N 499.543 2.899 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(C)CC1 1748920326 JGYFEWTVPQZSNU-UHFFFAOYSA-N 457.648 2.820 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(OCC)CCCC1 1748960371 JDXVSDHIPQIEHZ-UHFFFAOYSA-N 464.570 2.627 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1snnc1C 1748962378 GGZWKSDWWWZXPI-UHFFFAOYSA-N 475.619 2.687 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749118443 GJNOAJKXCDGLQT-HBMCJLEFSA-N 496.674 2.921 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749222208 CPGFIZSFKMFZJS-GBXCKJPGSA-N 481.645 2.620 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CCN1CCCS1(=O)=O 1749528069 BUWBGNBBWXERFE-UHFFFAOYSA-N 456.572 2.510 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1749586911 AEKJVFVVUUKBIK-LJQANCHMSA-N 479.507 2.770 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1749664164 GZBMKBYONIZCIC-ROUUACIJSA-N 469.590 2.772 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)N2CCN(CC)CC2)C1 1749714772 MJNVQKHOYSOMIT-ISKFKSNPSA-N 452.647 2.985 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)C(C)=O)CC1 1749756138 SWULPWRDDLABQH-UHFFFAOYSA-N 484.674 2.818 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)c1C 1751324209 CNDTXLLDPQICHQ-MOPGFXCFSA-N 473.599 2.731 30 10 JFEE Cc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCN(C)CC(F)(F)F)o1 1751494892 GVADRUDZPHNHHW-UHFFFAOYSA-N 491.522 2.581 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)N(C)C 1760117951 VZWOMULFAVWEHQ-IPMKNSEASA-N 472.590 2.940 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760188690 LQGPMDUMBYVZGE-RBBKRZOGSA-N 496.637 2.951 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760207796 XJZFILPTHJPZPV-HXUWFJFHSA-N 461.488 2.501 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CCCO1 1760219477 FSXQDRPUXWJLME-YADARESESA-N 457.575 2.619 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1760234004 IGSJEWORFVBKFZ-GOSISDBHSA-N 456.595 2.613 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1760264399 LYYSKRBJVUQIEM-VWLOTQADSA-N 475.641 2.994 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2c(CC)nn(C)c2CC)CC1 1760271662 FXLMESZJEKCUIE-UHFFFAOYSA-N 479.654 2.803 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1760313181 KJHGQPLMNAANGT-HOJAQTOUSA-N 470.961 2.571 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760313589 PCGITXSSICFGHS-RXVVDRJESA-N 454.575 2.781 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(F)cccc2Cl)CC1 1760389159 DXIXWXRKRQVUNF-GOSISDBHSA-N 469.970 2.608 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1760518097 IVCNMFIGXWANIS-UHFFFAOYSA-N 463.464 2.645 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760519836 RFRJVLNLDZDJOL-FQEVSTJZSA-N 475.597 2.928 30 10 JFEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1c(F)cccc1F 1760521495 UQPQJGZIBQXZGN-UHFFFAOYSA-N 458.469 2.613 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760533035 ALIFGYAMIGVNNK-SANMLTNESA-N 483.613 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)F)CC1 1760551945 XPULETGIIZHJMQ-UHFFFAOYSA-N 465.526 2.679 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1760556276 YOORDPYWDSJELH-HNNXBMFYSA-N 458.506 2.827 30 10 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JFEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3CCN(Cc4ccncc4)CC3)CC2=O)cc1Cl 1165623140 FYBXBYQLEFMNRE-FQEVSTJZSA-N 451.958 2.988 30 10 JFEE C#CCCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286334649 JUTAQQKWTRQRTI-YRXWBPOGSA-N 472.590 2.787 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286394196 HOSGKUWMSNMHCF-RBBKRZOGSA-N 472.611 2.526 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCc2ccccn2)cc1 1286431216 NGBQVNBNQQDZRI-QFIPXVFZSA-N 489.601 2.665 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1286432568 OVDPXOACSHWFJK-SANMLTNESA-N 485.636 2.985 30 10 JFEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286495897 HUTNLVYKWJWCSF-QGZVFWFLSA-N 465.620 2.808 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286622857 LILJOEBQALWRNR-UKRRQHHQSA-N 455.740 2.820 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1286742512 QLCVUITVUVOLJW-PSTIOWGYSA-N 452.584 2.595 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)OC(C)(C)C 1286754687 DAZSOBIUQIJRMC-UHFFFAOYSA-N 475.619 2.941 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286766724 WFJYYRCYGDIYEB-HYBUGGRVSA-N 490.626 2.716 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1286813261 YUCYLRDHWWEYAH-JAXLGGSGSA-N 454.619 2.933 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 1286886267 BQTUIPTXBYUNNP-CVDCTZTESA-N 479.629 2.621 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1287085029 BKWQFGDLJUZZPU-DHUJRADRSA-N 498.653 2.867 30 10 JFEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)N(C)C(=O)OC(C)(C)C 1288614295 CVWFXEYQDHGSDR-IRXDYDNUSA-N 490.630 2.941 30 10 JFEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1293808760 GTMRALNNYHCFBW-XMMPIXPASA-N 451.575 2.752 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300410422 ZUQMDHDQWAWWSB-OTWHNJEPSA-N 472.590 2.741 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1300479408 OAOVJSXEVDBGTN-HKUYNNGSSA-N 475.640 2.525 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300483255 JZMVKDAQPMFQLQ-GHTZIAJQSA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300483856 OLDRVRZBWXOBES-GDBMZVCRSA-N 480.432 2.719 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1300499061 OYCLOYBDSGUZGD-IBGZPJMESA-N 485.635 2.626 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1Cc1ccc(-n2cncn2)nc1 1300591567 STWQDFCMXSVQBN-UHFFFAOYSA-N 452.522 2.652 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1nc(C)cc1C 1300619398 XELOUNZKAULJFH-UHFFFAOYSA-N 454.604 2.601 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1scnc1C 1300672095 VTJHCXZYQYNXOU-SFHVURJKSA-N 490.630 2.680 30 10 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2.988 30 10 JFEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1316537642 DZLRJPKAPIHNLJ-HXUWFJFHSA-N 484.409 2.932 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)cc1 1354105414 XMDYPQKFKBCKEQ-UHFFFAOYSA-N 450.582 2.856 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1358880378 KXUASKGEVYZDRK-HNNXBMFYSA-N 487.515 2.539 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCO2 1358890572 RLSVPIZAIZTHQF-SJLPKXTDSA-N 469.542 2.821 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1358903786 JTJIJFOJTNSPSH-GOSISDBHSA-N 456.595 2.609 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1358928466 CDUXSBDQTCOQOH-KZNAEPCWSA-N 459.547 2.920 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(=O)NCC#C)CC1 1358928591 FOGBWSFUZCEVGN-OAQYLSRUSA-N 482.629 2.772 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1358929258 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1359208724 RZEKXWPMFZECFV-HXUWFJFHSA-N 469.977 2.930 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1359255369 VWUMZHAZLYWRTB-OAQYLSRUSA-N 487.626 2.569 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCCO1 1359281243 SZSYWXLDXIORHA-GOSISDBHSA-N 452.559 2.883 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1359292967 CEHOWMBHZYVBSS-HXUWFJFHSA-N 477.613 2.651 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359294704 BREVPCUEFWDEPU-QFIPXVFZSA-N 464.570 2.673 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1359294937 JTHDVGIEHXJWOY-UHFFFAOYSA-N 462.602 2.605 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359304628 DMZYNPNHAZRVMM-UHFFFAOYSA-N 493.612 2.703 30 10 JFEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359311153 RUXSDXJMPSBMCV-UHFFFAOYSA-N 496.612 2.928 30 10 JFEE C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C(=O)OC 1448483752 XPCKKHFWWLCHNZ-SFHVURJKSA-N 452.916 2.615 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC(=O)NOCC)c1 1469796080 HGVUFVQEHDYNBO-UHFFFAOYSA-N 451.932 2.519 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)c1 1473691261 RJRNQAAAOCXXNR-UHFFFAOYSA-N 458.440 2.679 30 10 JFEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1475289165 CCNJUMVXXGZBPA-IBGZPJMESA-N 456.609 2.808 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1494910731 DOMMYENPXQJQDF-YYTKYJTOSA-N 468.606 2.694 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1496224902 BJYDZFUINJEILV-PBHICJAKSA-N 450.465 2.889 30 10 JFEE CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1497211664 FCQWINKFWOHUOB-AVRDEDQJSA-N 460.579 2.665 30 10 JFEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1CCS(=O)(=O)CC1 1507603251 OBJZYSTVFXWLJM-UHFFFAOYSA-N 455.353 2.741 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(C)(C)O)cc1 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FLJFIUJPZRZTGA-QZTJIDSGSA-N 475.519 2.793 30 10 JFEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC(F)(F)F)cc2)CCO1 1620356617 DNSZKPDIVGHUJV-MRXNPFEDSA-N 492.483 2.945 30 10 JFEE COc1ccc(Br)cc1C[C@@H](CO)CNS(=O)(=O)c1ccc(C#N)cc1C 1622138767 GNVUKZKXMIIENO-OAHLLOKOSA-N 453.358 2.767 30 10 JFEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(c4snc(C)c4C#N)CC3)cc21 1622197983 VULDETGLTRHBTG-AWEZNQCLSA-N 459.597 2.694 30 10 JFEE C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1642071645 COVBIWXEBYIIMF-GOSISDBHSA-N 457.552 2.561 30 10 JFEE C#CCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788221 OCTVWQPFGRPSTA-UHFFFAOYSA-N 458.950 2.855 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1649543314 QMGGUEKUSCVOGJ-QGZVFWFLSA-N 451.575 2.899 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 1654380382 QSOSVHKQDIQDFC-UHFFFAOYSA-N 453.474 2.746 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)NCC2(C#N)CCOCC2)c1 1665101659 DEBHHMNJYDXMRF-UHFFFAOYSA-N 452.577 2.946 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F 1680908722 BEYMRJKNIJAZOH-UHFFFAOYSA-N 459.284 2.747 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C2OCCO2)c1 1689966455 SBOCDUSXODGNEQ-HXUWFJFHSA-N 483.569 2.750 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1689983553 CVXMOBBQFIDKDD-QGZVFWFLSA-N 459.597 2.789 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689996555 JUNPOOJPCUJEBI-FQEVSTJZSA-N 472.611 2.751 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1690031458 KXXPBWGQLOWIRF-PXDATVDWSA-N 481.984 2.663 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1690036095 VCZHTCZBKXDYSH-XMSQKQJNSA-N 472.387 2.847 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1690091414 SIPRJYLBBYNIAU-WMZOPIPTSA-N 488.507 2.927 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1690111461 CCALPDUWEXIILX-VXKWHMMOSA-N 484.620 2.669 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2csc(CC)n2)CC1 1690141714 AOEHJEBXJFRUMM-UHFFFAOYSA-N 451.600 2.511 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690180989 OBEFTPYVFPGELM-YADARESESA-N 456.612 2.823 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690212355 JESKULOGMSZIIN-YIXXDRMTSA-N 489.624 2.664 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690221940 DLIJCSSQGLEGHC-KRWDZBQOSA-N 477.407 2.888 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1690306202 PUZGUTRRPTWYPT-UHFFFAOYSA-N 452.563 2.907 30 10 JFEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690457564 ZLDYKEZDCCSCDB-UHFFFAOYSA-N 454.550 2.712 30 10 JFEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1690554039 QWEUSYIGRIOUEB-QXAKKESOSA-N 451.637 2.633 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1690672707 AHKQZHMDTZUHFS-UHFFFAOYSA-N 459.598 2.667 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1690715444 LOYNBLUMIXRPMU-SJORKVTESA-N 494.687 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1690719162 HHQFJNPNDUPFFJ-KRWDZBQOSA-N 478.615 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSCC1 1690719504 NQDMLNQAUWRVAT-UHFFFAOYSA-N 487.445 2.870 30 10 JFEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690743561 CTFAFZHWIYKQEG-UHFFFAOYSA-N 474.675 2.795 30 10 JFEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1695159642 FMVLBBXRKOVFSC-NHCUHLMSSA-N 473.599 2.701 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(NC(=O)N(C)C)cc2)CCOC1 1696025815 BEGTZOHIGLJNLF-UZUQRXQVSA-N 455.563 2.810 30 10 JFEE COC(=O)N1CCC(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1697072410 AWTLNRPKDROWDW-OAQYLSRUSA-N 468.558 2.681 30 10 JFEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@@H](C)O1 1697893119 DQKGOPNZXOWGGW-VQIMIIECSA-N 466.508 2.941 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc([C@@H](C)OC)n1 1705481876 OCKFIEAKIIWAEJ-JKSUJKDBSA-N 488.639 2.866 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1705494790 FZMWVGVRGYIXEC-CEXWTWQISA-N 479.647 2.818 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705563571 ACMCMJBBKKIZJU-MBSDFSHPSA-N 485.997 2.528 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705563806 FZAOTHLVQBKSJW-LJQANCHMSA-N 484.601 2.576 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1705564063 KNGXAUGRAJUZMS-MSOLQXFVSA-N 462.019 2.567 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705568518 OVXGMONASHRGPM-XZOQPEGZSA-N 499.681 2.833 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1705597172 XYOHGDSPQWYVEX-BJKOFHAPSA-N 458.610 2.994 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1705603841 XUUCSZFBEPCVQA-UXHICEINSA-N 457.575 2.619 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1705612377 FWFJFYLBFLAOKJ-YADHBBJMSA-N 455.628 2.550 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(SC)CCN(C)CC2)CC1 1705637063 HZPXOMFLGTZTGA-UHFFFAOYSA-N 454.644 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(F)(F)c2ccccc2)CC1 1705648766 YJLOZEANOCNNRQ-LJQANCHMSA-N 457.525 2.930 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1705674798 REAMYQUSOQAKGO-FDDCHVKYSA-N 455.563 2.544 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1705717138 DCGZYBMUSFLXKF-FCHUYYIVSA-N 490.674 2.625 30 10 JFEE C=C(C)Cn1c(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1705728343 HCYKSXGBOILDDH-RUZDIDTESA-N 471.577 2.927 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1705735683 VNGQCNPAYGYIOI-KRWDZBQOSA-N 480.400 2.850 30 10 JFEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1705741376 OCZODNTZODAJEE-NRFANRHFSA-N 493.612 2.677 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](COC(C)C)C1 1705896602 RTVOUKZIBUMZFN-AWEZNQCLSA-N 484.420 2.702 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1705938975 OFLHZMVCZQOZHN-UZUQRXQVSA-N 478.590 2.794 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1706189053 GFIXHGSOMFTQHE-JSRFKQPZSA-N 474.606 2.667 30 10 JFEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1711350649 AGRKEIFTODOVST-OALUTQOASA-N 479.629 2.667 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1722285536 XLTRSSXIGVHHGR-WOJBJXKFSA-N 466.630 2.923 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1722316811 MVRBMJIITZJWRS-IBGZPJMESA-N 483.997 2.843 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1722326817 KOZGFYOPSSTMCN-UHFFFAOYSA-N 477.573 2.828 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722394627 YWQIWYOSFTWLON-ACDBMABISA-N 468.627 2.905 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCOC[C@@H]1C 1722419737 BVBOXCYSOFSVRL-SFHVURJKSA-N 476.419 2.823 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCCCC1=O 1722419851 CXZFXNPGTQKSID-OAQYLSRUSA-N 466.561 2.801 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(C)COCCO2)CC1 1722444133 FXJJETKJFIKDLZ-KDYSTLNUSA-N 495.624 2.806 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1722450992 VBRYMSXVHMBZTJ-FQRUVTKNSA-N 465.598 2.682 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722466070 YTBMXBZWEYTPBE-QAPCUYQASA-N 461.975 2.812 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722480036 NXHDUJPREJXNIA-MRXNPFEDSA-N 470.169 2.803 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722483570 BPULLBLEABCFBQ-UHFFFAOYSA-N 484.420 2.723 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 1722495528 HQFJYVICEIBGGT-PGRDOPGGSA-N 473.021 2.838 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722496681 YYRMKZINMRYGLD-YUXAGFNASA-N 473.643 2.959 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1722505839 PHYKBDGGRHSUAG-UHFFFAOYSA-N 451.369 2.720 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1722532280 HLWTVPFCJKAOBZ-IBGZPJMESA-N 454.575 2.822 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722547121 BBGSLZIZRYQFAW-UHFFFAOYSA-N 469.995 2.577 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1722698316 YKKMUMSGZIMUPG-UHFFFAOYSA-N 479.976 2.575 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722701584 WAOHBESLZUZHAE-UPVQGACJSA-N 479.673 2.960 30 10 JFEE C=CCNC(=O)Cn1c(N(C)CC2CC(F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722704816 XAHZMNOPSNNTHH-MMBWHQMPSA-N 450.559 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722725223 MIVYDFYIMJHCFP-FQEVSTJZSA-N 489.642 2.999 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1723101292 FEVQKMWZXXPCLS-VWLOTQADSA-N 462.602 2.670 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1729623568 GZZNCXAKQQFVDK-DLBZAZTESA-N 469.590 2.890 30 10 JFEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)N1CCOCC1 1729998187 HWXYWDSFMMUSQT-QFIPXVFZSA-N 458.950 2.596 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1740536540 ITFJGSUOAGFHJZ-ROUUACIJSA-N 450.543 2.821 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740545178 KVNXXZXPWATFOH-CGBFIWBNSA-N 452.559 2.822 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@]2(CCOC2)C1 1740589826 FXDMJZAAOQEINC-YADARESESA-N 459.591 2.802 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 1740610987 QHBTXDCMGVHJNQ-HXUWFJFHSA-N 472.565 2.909 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1CCN(CCN(C)C)CC1 1740613427 HSZUYDOBBPJGTC-UHFFFAOYSA-N 489.462 2.963 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1740621064 STJDXDFLFLWHFD-IBGZPJMESA-N 470.551 2.620 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(N(C)C)CCSC1 1740633157 XRFIEHWOXDUQFI-HXUWFJFHSA-N 461.433 2.556 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1740706546 VYBPDLJFPZLCLU-CVDCTZTESA-N 481.597 2.962 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740724833 DRCUKRGPUMBVBF-OUYJLQGDSA-N 459.635 2.810 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1740724868 JCYLUNKBBZWYPT-OXJNMPFZSA-N 490.596 2.545 30 10 JFEE C=C(C)COCCn1c(C2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740792002 DUMRRJMYSUEMPZ-NFBKMPQASA-N 458.651 2.907 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1740808976 FKHKLYBZXKQIPW-UHFFFAOYSA-N 479.006 2.859 30 10 JFEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1)c1ccccc1 1740854399 OLZZTDDFGFOBJN-XQFWAAQXSA-N 459.616 2.865 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1740879518 NWEOBYNLACDFTC-UHFFFAOYSA-N 456.566 2.837 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1740953491 HXNMIIYFDSLSTJ-CABCVRRESA-N 461.588 2.603 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740953867 UFBITGQRQTWSGN-UHFFFAOYSA-N 473.459 2.627 30 10 JFEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(Br)cs1 1740958954 HVAIIIPXNNMITI-UHFFFAOYSA-N 493.387 2.768 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(SC)cc2)C1 1740978976 AOTVJLOUVMMSMM-MOPGFXCFSA-N 462.641 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1740986881 KBPWALGRNIYUNQ-MRXNPFEDSA-N 480.562 2.547 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1741804685 HROVHLGILRBCDG-SFHVURJKSA-N 489.642 2.833 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1743489764 BVBIJNOOWBIZIQ-UUOWRZLLSA-N 488.658 2.864 30 10 JFEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 1748222489 HOCQJVFOOYAAJU-QUCCMNQESA-N 488.539 2.896 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1748677774 KSNNRXCQGQYEKI-LPHOPBHVSA-N 451.493 2.599 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1748785385 UYHCDOADJDAJAO-UHFFFAOYSA-N 459.558 2.529 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748820625 GFXGUOOBUVQBAG-NHCUHLMSSA-N 465.579 2.712 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(c2ccncc2)CC1 1748869082 SQYREHJFGMLKGC-SANMLTNESA-N 462.598 2.705 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1748886836 MYJUBUWNILHVOY-UHFFFAOYSA-N 484.564 2.887 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)CN1CCOCC1 1748926075 QBIILLSEQVQBRE-HXUWFJFHSA-N 474.650 2.820 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1([S@](C)=O)CCC1 1748950462 KSBVYIGOMARNEV-YTTGMZPUSA-N 452.584 2.722 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN(C(C)=O)C1 1748950513 MMRVAZIVOMZAMP-SFHVURJKSA-N 461.513 2.891 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1748961179 WSHPTMNKSJZFRH-BCHFMIIMSA-N 478.597 2.702 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCO[C@H](C)C2)CC1 1749000340 SKULLQLYDBSMHY-HKBOAZHASA-N 472.634 2.920 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749024493 SEPPOZYUUDWORJ-WIYYLYMNSA-N 488.610 2.722 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1749047194 PRQBRZGNFOKGTG-UHFFFAOYSA-N 455.563 2.871 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749071481 FZKZZNQFBJCBJX-BKMJKUGQSA-N 466.605 2.943 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749107127 QLBZSWOZDKRBKR-QGZVFWFLSA-N 479.448 2.582 30 10 JFEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749198649 PPUGAFBDMNWZHQ-DYESRHJHSA-N 457.648 2.589 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(=O)(=O)N(C)C)CC1 1749330658 KPEXJMKSBVEIQC-UHFFFAOYSA-N 455.588 2.629 30 10 JFEE C=CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749498933 NNRKYAISXJFTDQ-PZJWPPBQSA-N 459.616 2.726 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1749609447 OWDUGSGDNGDLOD-UHFFFAOYSA-N 485.595 2.728 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1749658382 ORYLKTACCQDPSN-CQSZACIVSA-N 486.926 2.982 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C)C(C)(C)C2)C1 1749695546 DQCSHMMUBUHUOR-OAQYLSRUSA-N 469.590 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749735817 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489.667 2.517 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCCc1ccccc1 1760295760 WEPLIECZWLQDKL-XUZZJYLKSA-N 456.612 2.822 30 10 JFEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760309643 DKFBQBKDLVYAIF-GOSISDBHSA-N 458.364 2.967 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1760360100 QMHCXDGQPZQYIJ-UHFFFAOYSA-N 486.642 2.762 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1760495905 ZNJMXKKCHFYSNI-IBGZPJMESA-N 465.689 2.720 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](OC)C1 1760548701 NGPAYMQPDHEVRV-APWZRJJASA-N 452.552 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1760556599 JNIHILZHXNOOAC-FQEVSTJZSA-N 467.595 2.867 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)CC(F)(F)F 1760690158 AQSFGTPGIOBKMS-HNNXBMFYSA-N 476.507 2.672 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 1761132470 AUMAIXLCJWGXRW-URXFXBBRSA-N 493.656 2.867 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C1 1765679768 HDLTZUZFCPWKMI-KRWDZBQOSA-N 486.520 2.589 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)N2CCOCC2)cc1Br 1770043127 ICJNCMHGJBCPIL-VFNWGFHPSA-N 493.381 2.879 30 10 JFEE COC[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770741796 BVUZTNAIZKFRHX-WOJBJXKFSA-N 490.612 2.731 30 10 JFEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N2CCC[C@@H](C(=O)O)C2)sc2c1CCC2 1858814094 NZABKHVINZCPGO-CYBMUJFWSA-N 469.523 2.849 30 10 JFEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCCCO)cc1 1862610341 IFQCVSYDWSTPTQ-QFIPXVFZSA-N 481.501 2.985 30 10 JFEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)c1 1862736177 GZISTVKYJHXYTF-OAQYLSRUSA-N 451.479 2.814 30 10 JFEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862756583 BGOPKAPNOUZXEX-HSZRJFAPSA-N 494.548 2.961 30 10 JFEE CC[C@@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(C#N)cc1 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1887594344 GLNUVPAIJVQGQW-UHFFFAOYSA-N 471.491 2.919 30 10 JFEE C=C(Br)CS(=O)(=O)N1C[C@H](CNC(=O)OC(C)(C)C)CC12CCOCC2 2118095187 RKXJIKUCFHMDOI-AWEZNQCLSA-N 453.399 2.621 30 10 JFEE CC(C)(C)OC(=O)N[C@](C)(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)F 2124539989 BMZIPVGZARIPJD-HXUWFJFHSA-N 456.299 2.653 30 10 JFEE Cc1nc(NS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)ncc1B1OC(C)(C)C(C)(C)O1 2133325881 XIQOUAUNRQDBIO-IYARVYRRSA-N 459.377 2.574 30 10 JFEE COC(=O)[C@@H]1C[C@@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OCc1ccccc1 2232305481 GIDDEGXCIXOJKE-QUCCMNQESA-N 482.342 2.712 30 10 JFEE CN(CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2247953978 WTGGCOCACVUZRX-UHFFFAOYSA-N 480.845 2.846 30 10 JFEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2255633973 KFMKCUDRNPNJRV-UHFFFAOYSA-N 451.398 2.962 30 10 JFEE C[C@H](C[S@@](C)(=O)=NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255644216 GWXLARGQDFJCMK-MDQXEJNYSA-N 473.426 2.594 30 10 JFEE 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30 10 JFEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2267489007 WDUQCJOSUYGQLI-FPTDNZKUSA-N 463.409 2.819 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267713143 LNHSFAWCHDGRLH-INIZCTEOSA-N 466.409 2.616 30 10 JFEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268631006 RQQKHWFTDZXDHT-HOCLYGCPSA-N 466.409 2.545 30 10 JFEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268644547 QHBBGHYBCKQRPD-CQSZACIVSA-N 483.465 2.801 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268655004 GUHUJAXCGSUFLY-IRXDYDNUSA-N 450.316 2.746 30 10 JFEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 2268712319 SLHNJHOCEQDTLI-QHCPKHFHSA-N 450.385 2.929 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC23CCOCC3)C1 2281270458 MHIHGHYATFMXGK-JXHCQPQMSA-N 477.602 2.968 30 10 JFEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 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493.549 2.895 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1286350208 XEHCQARMCUKWFG-IEBWSBKVSA-N 480.537 2.773 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286386699 GDXLUGHRNGPIHB-IAGOWNOFSA-N 493.427 2.761 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286387973 JHQWJGGQWRGHST-IRLDBZIGSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1286388230 MFEIJUDTHVINCG-FXAWDEMLSA-N 454.552 2.575 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCS(=O)(=O)C1 1286400654 DGWPTFBNLOWMHZ-CQSZACIVSA-N 481.803 2.869 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)N(C)C 1286409163 INTPYFXZKUMGIA-WOJBJXKFSA-N 482.585 2.555 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@@H]1C 1286418497 CIWCBDOTPLGUPM-IBGZPJMESA-N 452.990 2.809 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C1OCCO1 1286467130 RGJZZUCQXHDLBO-UHFFFAOYSA-N 453.568 2.814 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccsc2)CC1 1286489186 IOYVLVVKDBJFRQ-HSZRJFAPSA-N 485.013 2.929 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccsc2)CC1 1286489187 IOYVLVVKDBJFRQ-QHCPKHFHSA-N 485.013 2.929 30 10 JFEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCNC(=O)CC1 1286501396 WXHWUZMGSLNACL-UHFFFAOYSA-N 451.552 2.810 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1286507842 CNBIVNVIAPCLIX-MRXNPFEDSA-N 496.605 2.873 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1286545692 AKBOPLINVYUTEZ-QUCCMNQESA-N 456.547 2.985 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCCCOC)c2)CC1 1286646891 WXAOASSQVNSWSR-HXUWFJFHSA-N 460.600 2.800 30 10 JFEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286705805 FTOKOBHEELJKGL-KRWDZBQOSA-N 450.584 2.503 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)C1 1286707496 DDJNEVMSHYHHFT-UHFFFAOYSA-N 465.396 2.933 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnnn1CC1CC1 1286753367 BMOCUWFLBHAREV-UHFFFAOYSA-N 458.368 2.669 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286777006 RVYKYFXEJXQOIR-UHFFFAOYSA-N 453.528 2.690 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2ccsc2)CC1 1286783847 NPYVMHCZCIIEDL-UHFFFAOYSA-N 482.610 2.648 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C)o1 1286820740 QKRUWPRVCQDJDM-UHFFFAOYSA-N 485.614 2.591 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)CN2CCOCC2)c1 1300332946 RCIMXIUIKMCJHY-OFNKIYASSA-N 480.613 2.544 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1300484640 UIGQDHUJOXQTPK-WBVHZDCISA-N 475.596 2.685 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1300489823 SZCKUHGNNDSGQY-HXUWFJFHSA-N 465.579 2.713 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1300502079 QQEHTDPLAWURBP-HXUWFJFHSA-N 488.610 2.891 30 10 JFEE 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C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301484139 BQDHTWGVHBSUQB-KDOFPFPSSA-N 478.391 2.880 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCOCC1 1301484372 GMHRJAKGWNWQHM-UHFFFAOYSA-N 454.394 2.934 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1301498054 IWILWJDSNGHDBV-YADHBBJMSA-N 452.603 2.923 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCCC2)C1 1301543932 QXGCAVYOZJSJLU-HXUWFJFHSA-N 459.616 2.616 30 10 JFEE CC(C)c1nc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CCO2)no1 1302545296 GOWNOWUVBXDNSK-VQIMIIECSA-N 450.547 2.851 30 10 JFEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)N(C)C 1305703090 GBSQBZAGAQXDOV-QHCPKHFHSA-N 474.613 2.840 30 10 JFEE C=CCn1c(SCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1cccnc1 1307278118 SNSATSLIGWJWCU-OAHLLOKOSA-N 454.531 2.751 30 10 JFEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)CCC1 1313979353 CMDWIAFQZJWEOK-PMACEKPBSA-N 479.629 2.954 30 10 JFEE 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467.636 2.599 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359328986 UXLHKOLYYDZPEC-KRWDZBQOSA-N 488.566 2.518 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](COC)C1 1359331382 WXCZYQHZTJZSNY-GOSISDBHSA-N 457.600 2.900 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CSCCS1)S(C)(=O)=O 1359486737 DKPLOIUFSKKNSZ-GJYPPUQNSA-N 495.696 2.835 30 10 JFEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1359524277 DNZUHGRYLXTWRW-RTWAWAEBSA-N 487.626 2.947 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCSC1 1360476019 GVELBHFAHABSJU-OPAMFIHVSA-N 464.636 2.999 30 10 JFEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1Br 1474953758 DGLYOCKRLPIWHG-CQSZACIVSA-N 456.268 2.683 30 10 JFEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1503358909 BVEXYILHPHKVQM-RUZDIDTESA-N 466.586 2.584 30 10 JFEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1 1503617795 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C=C(Br)Cn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722489262 OCEGWTMHKTYYLS-DBVUQKKJSA-N 471.396 2.612 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SCC)C1 1722491096 HNRRUPZTKUQWAR-YRXWBPOGSA-N 471.693 2.982 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1722491553 AOJKWXZWOVCULJ-KHYOSLBOSA-N 477.407 2.694 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722504035 XZCWVEHJLCEUEO-WMZOPIPTSA-N 461.592 2.502 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722533275 NFRXICBHOGRRRV-UHFFFAOYSA-N 497.550 2.560 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722534497 QCNUCNJZFRALOA-UHFFFAOYSA-N 465.558 2.552 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722534732 QKJKESSJMMJZQG-UHFFFAOYSA-N 462.554 2.909 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1722554703 GVTKKUDMVGOXOA-IEBWSBKVSA-N 480.034 2.825 30 10 JFEE C=C(Cl)Cn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722557802 UGUIZXPWZAYTSZ-LJQANCHMSA-N 479.931 2.966 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Br)n2)CC1 1722566469 RYKOMPIDPITEBP-AWEZNQCLSA-N 452.378 2.542 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1722677108 UIMMSSGWIYDPHD-UXHICEINSA-N 495.671 2.725 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccccn2)CC1 1722692071 WFBQDTWKHLMIIL-SFHVURJKSA-N 465.533 2.581 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1722694083 KWYAGQUXRRIGJE-SFHVURJKSA-N 478.391 2.640 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](OCCOC)C1 1722694190 NLKOTYZWZOIUDB-CQSZACIVSA-N 484.420 2.703 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722701799 FAQWYGQXMRQTPX-HXUWFJFHSA-N 468.602 2.517 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1722724972 BJURGAAEAOTTCO-UHFFFAOYSA-N 455.540 2.696 30 10 JFEE CC(C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1723631265 FFXHTQFDPILABS-UHFFFAOYSA-N 486.624 2.763 30 10 JFEE CC(C)N1CCC(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CC2)CC1 1723821881 FOVQOOZEIPLLQS-OAQYLSRUSA-N 464.662 2.762 30 10 JFEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1726751150 BDQYZFZDAMHGKZ-KRWDZBQOSA-N 453.572 2.542 30 10 JFEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1727874855 HXXUPNGJMWGBDW-PZJWPPBQSA-N 484.626 2.527 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(C)C)CC2)CC1 1728601207 DEZYWVPLMRVSFK-QFIPXVFZSA-N 464.662 2.763 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCN1CCN(c2ccncc2)CC1 1740549540 FEIUTXXAWNRPEY-JOCHJYFZSA-N 473.625 2.943 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1740575729 VKRCYWYOYMASJS-LJQANCHMSA-N 487.626 2.592 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC(F)F)cc1 1740607221 IWNKTSNNGCUDQG-UHFFFAOYSA-N 460.510 2.957 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740619513 JLXHAOQVQAPZLV-MRXNPFEDSA-N 491.042 2.882 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740620156 OIXDPSQYLVKILS-KRWDZBQOSA-N 479.002 2.539 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(OC)nc1OC 1740646030 OXDJKDDPWDGWDL-UHFFFAOYSA-N 492.967 2.785 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1740657345 RELTYDWXAIZOTH-SFHVURJKSA-N 480.512 2.633 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCCC1 1740686632 XSUQEOUZUXGSRD-IBGZPJMESA-N 488.633 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccccc2C)CC1 1740705705 LECPZYPATLLFKW-FPOVZHCZSA-N 451.571 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)c2nc(-c3ccccc3)no2)CC1 1740707608 IVPZRDGGPRNNIY-GOSISDBHSA-N 477.569 2.634 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1CCCO 1740727848 CDPNCLDHHVHYCG-KBMIEXCESA-N 453.587 2.801 30 10 JFEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740780388 STKLSTDZTIMNNE-NUJGCVRESA-N 477.587 2.549 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740787069 ZFVHBKQJFBYYJL-UHFFFAOYSA-N 463.529 2.775 30 10 JFEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 1740796837 FTTYZCIQZRDHGH-UHFFFAOYSA-N 456.554 2.723 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740836838 TWMZUFGMKSWCOF-DEOSSOPVSA-N 477.606 2.626 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCCC[C@H]2C)CC1 1740838852 AABOJHUAPPTJPH-IRLDBZIGSA-N 494.706 2.668 30 10 JFEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1740908302 SAAXTSZGJZCDEP-ZDUSSCGKSA-N 454.394 2.636 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1740942151 DHQHUCIRXMDDGJ-STSQHVNTSA-N 465.595 2.529 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740955519 WWFPFMFUPHMZOQ-QFIPXVFZSA-N 495.502 2.548 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@]2(CCCOC2)C1 1740963881 ADKXQMQZSZZVGT-DEOSSOPVSA-N 455.559 2.565 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](CC)C1 1740987475 UNEDILKJWJOQDM-SJLPKXTDSA-N 452.552 2.773 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 1741007334 XLCATVCMWCPNIL-PMACEKPBSA-N 469.615 2.515 30 10 JFEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1741690220 FHYFCHLXQBMSNF-CRAIPNDOSA-N 480.491 2.799 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CCN(C2CCC2)C1 1743253569 BAZJOKHRBXFDQD-INIZCTEOSA-N 457.529 2.509 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCS(=O)(=O)Cc1ccccc1 1748681726 IQWALRLNJWWQAO-FQEVSTJZSA-N 476.606 2.980 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCC(C)CC1 1748790537 ZCQVFRJQDPHOLV-WOJBJXKFSA-N 460.623 2.776 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1748819709 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30 10 JFEE Cc1cccc(C(=O)NCCn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@H](C)C#N)c1 1304442178 HVZSMLPTAVDFAX-LJQANCHMSA-N 456.554 2.851 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCS1 1305204890 DJZCUBSVOYGIFC-ICSRJNTNSA-N 456.616 2.517 30 10 JFEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1313895119 GFJAXANTLLFISH-OALUTQOASA-N 475.519 2.806 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N1CCC(C)CC1 1314389005 GEPRMVJKLOKFDM-FQEVSTJZSA-N 452.607 2.528 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1358885400 JMOJPQUSBMYMSN-KRWDZBQOSA-N 457.538 2.975 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1358913222 IYYDOKACKGTDLQ-RLSLOFABSA-N 489.617 2.774 30 10 JFEE C#CCCCn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936037 ASXMWTNHSJPMKU-KDURUIRLSA-N 458.607 2.911 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1358958429 NQVVPANDBAADJC-XMSQKQJNSA-N 460.625 2.866 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nccn2C(F)F)CC1 1359029685 DYDMWODXOPMJCY-INIZCTEOSA-N 459.476 2.952 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCCN2CCC[C@@H]2CO)CC1 1359032307 KACNCJJSOGTBRQ-OAQYLSRUSA-N 487.048 2.599 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)NC2CCCCC2)CC1 1359042528 KKRUOWJQLDOKOH-UHFFFAOYSA-N 466.586 2.651 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)c(F)c2)CC1 1359043141 IXHAUUVYUQBORN-UHFFFAOYSA-N 464.545 2.640 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1359047728 QXOWMXJSGQOEKO-LAUBAEHRSA-N 455.534 2.702 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cscn2)CC1 1359089779 OXEIIRVSXXLXIH-RXVVDRJESA-N 487.674 2.956 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1359126549 SMRBCQXIMSCVRC-SJLPKXTDSA-N 451.568 2.614 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359203841 XFBHKNXZAGZTFA-ROUUACIJSA-N 473.590 2.839 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)C(C)C 1359265402 DYPRYWIZSSKRCF-HSALFYBXSA-N 453.547 2.548 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccnn2)CC1 1359328634 KBMSYJIVRTYLHE-UHFFFAOYSA-N 495.653 2.960 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1359331458 ZXULVQYUUIVCJS-QGZVFWFLSA-N 470.599 2.683 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](C)C1 1359332295 ULTQSHOVEBGOMC-QZTJIDSGSA-N 499.703 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359333662 FXERLIVKBDLEGF-SFHVURJKSA-N 460.629 2.779 30 10 JFEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359338420 VNJLXBUTZVWTSH-SFHVURJKSA-N 452.602 2.505 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 1359342842 GGCVRSLFGWJMOL-PKOBYXMFSA-N 471.693 2.935 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)NC4CC4)c3C)cc2C1=O 1360539424 HOPVPPKCZYOVQN-UHFFFAOYSA-N 453.520 2.778 30 10 JFEE C#CCN(C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1)C1CCN(C)CC1 1439604866 QYEFUNLRXNYUQF-UHFFFAOYSA-N 450.568 2.630 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(Br)cc(OC)c2)s1 1455558468 IXEBLNGIENOWEZ-UHFFFAOYSA-N 459.387 2.842 30 10 JFEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)C(C)C 1472998552 LNVUXNGRVKKQNA-FXAWDEMLSA-N 457.600 2.884 30 10 JFEE C#C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccc(Br)cc1 1478895866 HBPAGSNNIRBAPV-RCCFBDPRSA-N 454.390 2.816 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1507558030 PLOSRUUVLUGVJF-CTNGQTDRSA-N 470.643 2.672 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507628218 HFENYXAKFLVSMW-HNNXBMFYSA-N 481.416 2.759 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1507630434 YSPFFVIUPOBTFQ-NRFANRHFSA-N 494.621 2.697 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(OC)nc2)CC1 1507717686 FRDQSKTYNSSKMC-UHFFFAOYSA-N 454.481 2.754 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(CC)cc2)CC1 1507736919 VDZMLSSPWAVLFY-MHZLTWQESA-N 479.625 2.701 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507758537 OFLDIPXOSDUKPN-HKUYNNGSSA-N 476.647 2.774 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H]1c1nncn1C 1508133354 HOISEBWHAXDLPC-IBGZPJMESA-N 455.588 2.578 30 10 JFEE C#CC[C@@]1(C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)CCCN1C(=O)OC(C)(C)C 1521818878 XPPQIAIRDHPXGH-QFIPXVFZSA-N 452.477 2.941 30 10 JFEE C=CCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1537316786 FEZXTXVXUGAELA-PSWPWZSKSA-N 455.555 2.676 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1539044790 IFELLVKHKWVTQT-UHFFFAOYSA-N 457.538 2.891 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1nnc2n1CCCCC2 1539283861 BUUPRGUMFQRFFA-BGYRXZFFSA-N 492.628 2.682 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1cccs1 1539300949 YQIJVYSGLKGJAT-XMMPIXPASA-N 496.662 2.979 30 10 JFEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539421054 PULPWHGCOIPSCY-BWKNWUBXSA-N 454.571 2.898 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCc2nc(C)cs2)CC1 1539481644 MTGWLFKSMIVERK-FQEVSTJZSA-N 470.643 2.926 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ncccc2C)CC1 1539482353 LTGAUVYYLHBQPS-UHFFFAOYSA-N 464.520 2.865 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539580347 JYMHURBOVAPFJJ-AWEZNQCLSA-N 499.391 2.528 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCS(=O)(=O)C1 1539651344 DSPAHEQFSQWFKH-CQSZACIVSA-N 456.410 2.883 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1539744035 BZGFGHFNQSSEIB-CVDCTZTESA-N 459.978 2.659 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539831498 JGEHJINYTHUDKJ-HSZRJFAPSA-N 460.600 2.927 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1540870341 KYPWGQLVKZVEAG-OAHLLOKOSA-N 479.484 2.788 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)cc1 1540877635 AWEDMJXSJHNGJX-QFBILLFUSA-N 478.519 2.915 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC3CCCC3)nc2)C1 1540882898 QHJHVTSZALURBZ-FQEVSTJZSA-N 454.575 2.962 30 10 JFEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1541195721 AUWVSDQKSCEEBY-UHFFFAOYSA-N 478.601 2.506 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1544008455 CRQVHYONJXZPSC-IDISGSTGSA-N 493.656 2.747 30 10 JFEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1547237672 BXBJZMGDTXUJPG-RUZDIDTESA-N 468.602 2.878 30 10 JFEE CCO[C@@]1(c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CC(=O)NC(C)C)CCOC1 1547883238 HPPKYFQODYZNEV-VWLOTQADSA-N 464.570 2.620 30 10 JFEE COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)c1 1548369135 BMNMUCPMLRAEDS-SFHVURJKSA-N 477.443 2.802 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cc(C)nn1C)CC2 1548377967 HUWDSJXCXGOXTL-IBGZPJMESA-N 488.514 2.724 30 10 JFEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC1 1555993981 HBFDLMZPJVSGGL-UHFFFAOYSA-N 472.977 2.889 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 1566313166 ARNFPPQDAQRHGG-LMNJBCLMSA-N 457.596 2.955 30 10 JFEE CC(C)(C)c1ccc(N2CCC(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1583334405 GSZXQYVDWPEQSA-UHFFFAOYSA-N 454.596 2.919 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1 1585271063 IDNFZYGOQIESCT-UHFFFAOYSA-N 459.531 2.551 30 10 JFEE C=CCn1c(SCC(=O)NC[C@]2(C(=O)OC)CCOC2)nnc1-c1ccc(Cl)cc1 1586637035 CKEUDWYHWSTOHY-HXUWFJFHSA-N 450.948 2.573 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1587818278 TXELWPYFRACUQT-AWEZNQCLSA-N 469.405 2.999 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1588034194 BNURIQKUMKQTBZ-MOPGFXCFSA-N 498.584 2.525 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588069480 OTVTZQOYKVCTOS-HXUWFJFHSA-N 460.600 2.526 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1588170698 MEJXORQAKRYHEP-XMMPIXPASA-N 458.610 2.542 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCO[C@H](C)C1 1588233767 QFGXDITVHCOOTD-HKBOAZHASA-N 471.602 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1588250516 FPQCADJEISHXNE-UHFFFAOYSA-N 468.565 2.752 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(S(C)(=O)=O)CC1 1588595067 MMPMMVDVEQLJAD-UHFFFAOYSA-N 462.641 2.939 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nc(C(C)(C)C)cs2)CC1 1588750956 HOWBEPXOFQECPC-DEOSSOPVSA-N 472.659 2.682 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(OC)nc2)CC1 1588961941 QCPBKUJCYJEVTP-UHFFFAOYSA-N 474.565 2.583 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1589427166 CAPWBOVPOBPRBX-UHFFFAOYSA-N 489.403 2.879 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1594552941 UHYMVSBUQRUOFM-LEWJYISDSA-N 459.616 2.961 30 10 JFEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1594553392 ZJBLZBZBNLDIHH-IFMALSPDSA-N 466.586 2.941 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1595490476 SSSYRNQFGFJNSS-KRWDZBQOSA-N 475.391 2.505 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCN(C)C2)C1 1595706821 PYYAOHJDPWBPTA-HRAATJIYSA-N 462.392 2.556 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](CC(C)C)C1 1595799290 YJSJKGKLBQZMOY-HXUWFJFHSA-N 487.674 2.925 30 10 JFEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 1610057241 SVVNSMVMHYIARU-CYBMUJFWSA-N 455.458 2.927 30 10 JFEE CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1613517218 GGESISZNQWVZQF-XUZZJYLKSA-N 455.582 2.843 30 10 JFEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)C1=O 1618022993 ZAIYZHXDUZINMX-NRFANRHFSA-N 457.552 2.745 30 10 JFEE 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2.775 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCN1CCOC(C)(C)C1 1690011266 IGFJAORQRSWRNP-UHFFFAOYSA-N 456.388 2.891 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCN(C(C)C)CC1 1690026725 JHHVTQDEGNDMDI-UHFFFAOYSA-N 455.990 2.819 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCOCC)CC1 1690140419 XZEFGCSKAAYEQM-UHFFFAOYSA-N 460.376 2.710 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690305564 CPZGMUNPHKHBNS-SFHVURJKSA-N 484.992 2.984 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690412402 PCIZNXRQFYYMEG-UHFFFAOYSA-N 465.019 2.864 30 10 JFEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N2CCOCC2)CC1 1690417085 DKCCKAYNDXLJJQ-UHFFFAOYSA-N 457.600 2.840 30 10 JFEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CCCO1 1690611327 IJXSCUHZGYIQBW-QFIPXVFZSA-N 462.620 2.755 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cccs1 1690662315 YZDPAKOXVNLCRI-UHFFFAOYSA-N 473.628 2.547 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1690724925 ZBCLRNSQUAJVSR-CVDCTZTESA-N 495.045 2.610 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690767252 BDUUTDKAZNGIOJ-XMMPIXPASA-N 479.629 2.621 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1705562507 DNRORAXVYNUQLV-GOSISDBHSA-N 478.640 2.731 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705566200 MFOIXNJTWVEIJT-OAQYLSRUSA-N 479.606 2.917 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705566859 RFQATAIBLYXDLI-KURKYZTESA-N 454.662 2.577 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1705571144 XEFQXTGEZMTBKL-FQEVSTJZSA-N 469.998 2.787 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)CCC(F)(F)F 1705596188 WHCBJHYMGUYNBK-UHFFFAOYSA-N 499.541 2.929 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2cc(C(C)(C)C)no2)n1 1705631585 JLJYSOMZRSYCGJ-IBGZPJMESA-N 481.601 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10 JFEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284011523 NWOVLYSZBSVLJK-HKUYNNGSSA-N 460.380 2.532 30 10 JFEE Cc1csc(CNC(=O)[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2284018106 KYVUJMJYWCLXIH-CVEARBPZSA-N 480.436 2.902 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2288269826 YNHPNZRBMXFSGH-GYCJOSAFSA-N 457.380 2.676 30 10 JFEE CCOc1ccc([C@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296079546 OHUZESIKMQNHRU-DEOSSOPVSA-N 490.560 2.795 30 10 JFEE COc1cccc2cc(C(O)=C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccncc3)oc12 2296125885 SJDFVGSLMBJVTD-QFIPXVFZSA-N 477.517 2.980 30 10 JFEE COc1ccc(CNC(=O)C2(C)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2296183291 ZQUSRPOAEFMHBD-UHFFFAOYSA-N 460.380 2.868 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2296390853 FFEKNDDUQLXIIB-UUOWRZLLSA-N 458.364 2.950 30 10 JFEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1F 2296624955 MQKXZXVKJJZHIX-NRFANRHFSA-N 458.461 2.727 30 10 JFEE CCCOc1ccccc1C=NNc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659827 RXSTZTYMLFBSBT-AWEZNQCLSA-N 469.361 2.600 30 10 JFEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCCCO)ccc1OCCc1ccccc1 2330784201 QBAPNEVCMHKTNS-UHFFFAOYSA-N 483.594 2.901 30 10 JFEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339441639 YPSKPJOMCDOHLL-MRXNPFEDSA-N 467.803 2.964 30 10 JFEE CC1(C)OB(c2cnc(C(=O)N[C@H](CCO)COCc3ccccc3)c(Cl)c2)OC1(C)C 2343486061 JOQFSRCVKVGFHE-GOSISDBHSA-N 460.767 2.732 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343634834 BASCFWDQSLAFDV-HOTGVXAUSA-N 452.332 2.917 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345735412 ILWFHLKTWQFQMN-JOCHJYFZSA-N 451.348 2.694 30 10 JFEE COC[C@@]1(CN=c2cc(B3OC(C)(C)C(C)(C)O3)cc(C)[nH]2)CCCN1C(=O)OC(C)(C)C 2362157052 PEHRVULFQAYLAO-DEOSSOPVSA-N 461.412 2.939 30 10 JFEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)CC1 2364970061 BRHDDUKQHBWAQK-UHFFFAOYSA-N 464.343 2.960 30 10 JFEE COc1ccc(C(=O)N[C@H](CCO)COCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2369482141 ISORPKNQWFQMKY-HXUWFJFHSA-N 455.360 2.692 30 10 JFEE Cn1c(CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc2cc(C(=O)N3CCCC3)ccc21 33121707 AMYRETDITJXZQQ-UHFFFAOYSA-N 456.550 2.639 30 10 JFEE C=CCn1c(CNc2cccc3ccccc23)nnc1Sc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 105158190 PLKXDJZOUWXCEH-UHFFFAOYSA-N 474.550 2.654 30 10 JFEE COCCCn1c(=O)/c(=C\c2ccc(C(=O)OC)cc2)s/c1=C(\C#N)c1nc2ccccc2s1 105754061 MWNYJPZKLDTFRV-CIQFFKNSSA-N 491.594 2.894 30 10 JFEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC(C)=O)c2)c1 170109357 BCWJDGYCFBRSHO-QFIPXVFZSA-N 468.506 2.769 30 10 JFEE C#CCOC[C@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 245280900 VOHWOUQGTHVQLE-ZJSXRUAMSA-N 486.634 2.520 30 10 JFEE CC(C)(C)c1ccccc1OCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 521291975 GDMWXVIYOKDANX-UHFFFAOYSA-N 470.595 2.951 30 10 JFEE CCN1C(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)SC1=Nc1ccc(OC)nc1 726888773 DBVJJZUMRRTEIX-INIZCTEOSA-N 459.484 2.987 30 10 JFEE C#CC[C@@H](COC)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757489742 OSAKITDBHKSVKD-AOMKIAJQSA-N 450.491 2.523 30 10 JFEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1c(C(=O)O)cnn1C 757527281 BKSNNZUUHNKGRP-OAQYLSRUSA-N 458.474 2.987 30 10 JFEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C#N)N(CC(=O)NC3CC3)C2=O)cc1 917703453 ZXPHXOHBNMLCDI-NRFANRHFSA-N 489.557 3.000 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(F)cc(Br)cc3C2)c1 1150468745 OYGZKAKTNVJUIF-UHFFFAOYSA-N 451.317 2.698 30 10 JFEE COc1ccc(OC)c2c1CN(S(=O)(=O)c1cc(Br)cc(C#N)c1)C[C@H]2O 1187290728 GMJFOFUUMHNMRO-OAHLLOKOSA-N 453.314 2.576 30 10 JFEE C=CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1269215399 NHKBCYKJIIYKSU-BSWQBHCVSA-N 455.555 2.676 30 10 JFEE C#CCCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286334135 DKXWNIRMRCXWED-SANMLTNESA-N 483.661 2.795 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1286359186 XPDJIZMQMCTWOQ-CVDCTZTESA-N 471.577 2.885 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1286390489 AKCSFAUOMRVONE-SFHVURJKSA-N 495.447 2.612 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nccc(C(F)F)n1 1286456047 LKIQSVIUYQVXQM-KRWDZBQOSA-N 455.444 2.784 30 10 JFEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CCN(C(C)=O)CC1 1286457521 QVDGAUPHUMURQF-SFHVURJKSA-N 457.550 2.902 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286462547 LUZAVRFNYPWQGW-RZUBCFFCSA-N 496.612 2.759 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1286479614 NNPQQDVHAMKGCX-JOCHJYFZSA-N 465.552 2.985 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(N(C)C)CCSC2)CC1 1286484377 JQUWQAIGBOGEDU-RUZDIDTESA-N 468.671 2.666 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286546238 HRXGPRNLEVCLKT-XJUOHMSHSA-N 458.651 2.906 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1286554510 HQCVAANYUPIUDV-MOFJNDHNSA-N 472.634 2.732 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1286562925 MVTAROCUPPAMOX-ZLNRFVROSA-N 474.694 2.788 30 10 JFEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286611290 IEVZIDSAPMQRNE-UHFFFAOYSA-N 452.603 2.994 30 10 JFEE C=C(C)COCCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286614766 XKTXQODKPOGTQY-ZEQRLZLVSA-N 464.607 2.686 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1286667563 SORDKDKEQCEJIT-CQSZACIVSA-N 451.597 2.566 30 10 JFEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCC(O)CC1 1286724285 GYTSAKSSYGKGDG-UHFFFAOYSA-N 462.639 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1286817399 SCMJJMXPBWWANJ-UHFFFAOYSA-N 466.611 2.884 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286819176 CHOKZTXKLUEBBR-UHFFFAOYSA-N 460.526 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C1CC1 1286820737 QHZQJZQFCFRSGR-UHFFFAOYSA-N 467.636 2.982 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC2CC2)[C@H](C)C1 1286883764 PNMRJIHTTDZZHA-GOSISDBHSA-N 452.559 2.602 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(C)(C)O)cc1C 1289738626 BDVGHDXZWLAPCI-UHFFFAOYSA-N 488.596 2.902 30 10 JFEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1295335531 AVNSNKFSHJVKLB-IFMALSPDSA-N 467.593 2.945 30 10 JFEE CCOc1cc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1296707941 BUJLIULWWZLFMO-LJQANCHMSA-N 491.552 2.694 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300475763 SLHBQUUSXFICBA-CNNODRBYSA-N 497.596 2.960 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1300481794 BVKGRQPTZHWECI-IBGZPJMESA-N 485.635 2.896 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300484109 RGJVOCSFOJMGPG-DHLKQENFSA-N 486.638 2.611 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300495098 CPVGHOUWYYLPKP-NJDAHSKKSA-N 472.611 2.575 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1300497702 CHXUAWWYIAWRTG-GOSISDBHSA-N 485.997 2.601 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1300538539 UFMONXVQRFHFTH-XMMPIXPASA-N 470.042 2.803 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCSCC1 1300555090 STGULFQYHDQWEQ-UHFFFAOYSA-N 450.612 2.659 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1300665510 KNPAWUKNAYWCRB-GOTSBHOMSA-N 453.587 2.507 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1300716809 RPWPUMSPGSJDMQ-AFMDSPMNSA-N 499.587 2.503 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1300740869 GFJGOVCTZOILMQ-QAPCUYQASA-N 479.448 2.559 30 10 JFEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1300861209 BZPWOKNEWVDFFR-FUHWJXTLSA-N 483.455 2.540 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1300870590 UUDXIOWIQBGWQC-WIYYLYMNSA-N 460.600 2.948 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 1300889613 CXTULIWKFGWHQP-YWZLYKJASA-N 476.375 2.537 30 10 JFEE C=C(Cl)Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301061114 QPPIPAIXSVXQBE-ZACQAIPSSA-N 452.987 2.906 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 1301152419 YVEGIIBXZYZYPO-LJQANCHMSA-N 451.637 2.982 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1301389868 CJBQFYRATVUULG-WOJBJXKFSA-N 471.627 2.894 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1301500895 QPCDJORIKLFGGF-IBGZPJMESA-N 482.585 2.994 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1(c2ccc(F)cc2)CCOCC1 1301806429 GVZZQMSGLMLCEJ-UHFFFAOYSA-N 467.549 2.933 30 10 JFEE C[C@@H]1CC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1304931113 FDIKTSGUZRMBOT-XCGNWRKASA-N 461.563 2.994 30 10 JFEE CC(C)CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 1307551229 FFFOAXRAANINRJ-UHFFFAOYSA-N 456.568 2.680 30 10 JFEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)nn1 1348443795 JDGYQYYGGZOPHB-UHFFFAOYSA-N 459.616 2.915 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1356275425 FHAURJCWCMTXMC-HNNXBMFYSA-N 459.476 2.716 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC(C)C)NC(=O)OCC 1358884974 AGWCQXGLYGIGOY-ROUUACIJSA-N 479.585 2.811 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC[C@H](C(F)F)N2CCOCC2)c1 1358901351 ICWZYCWYIRFNPV-OAQYLSRUSA-N 497.550 2.685 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358957991 FKIZOAVLODHLQP-IRLDBZIGSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1358967943 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476.629 2.977 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)C1 1508109314 QHAGXZIJLALIFN-DHIUTWEWSA-N 482.629 2.580 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)C1 1508127777 WNYXXTNERZAYNY-IBGZPJMESA-N 459.978 2.586 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C)C1 1508134481 SUXGGNJAHKBPSS-HZPDHXFCSA-N 450.630 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccc(Br)cc1 1508141205 UDWOTVPOTXBMBS-UHFFFAOYSA-N 493.431 2.721 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508145957 RQYIIZDFSZMWJJ-KRWDZBQOSA-N 469.652 2.913 30 10 JFEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)C)C[C@@H]2C)CC1 1508235761 ZBSQZOTYYKUPGH-GBXCKJPGSA-N 479.629 2.764 30 10 JFEE CCS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1516913297 IEIQWETYFCTEDC-LJQANCHMSA-N 463.629 2.885 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1517680985 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JFEE COc1ccc(C[C@H](CO)CNS(=O)(=O)c2cccc(C)c2C#N)cc1Br 1663387846 BZRVWBQBUPPCTI-HNNXBMFYSA-N 453.358 2.767 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN2CC)c1 1689873817 XVZYPVQETZGYFB-HSZRJFAPSA-N 474.613 2.680 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1690010034 TXGSDSUPLOXRAX-AREMUKBSSA-N 495.649 2.633 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1oc(CCC)nc1C 1690019756 QSLIMUCEVMHDQI-IBGZPJMESA-N 482.585 2.957 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@@](C)=O)cc1 1690082857 QWVZIJFBXGPBKF-WJOKGBTCSA-N 455.609 2.656 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN(CC)CC)CC1 1690135255 SUAAXNCELNGYEA-OYRHEFFESA-N 473.666 2.536 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690183395 WTZNKCKANHUTGY-UHFFFAOYSA-N 451.556 2.977 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690230370 AMRNMJBPPHLFSF-UHFFFAOYSA-N 486.374 2.868 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1690235947 GQGHQVXYAZDALG-ZJOUEHCJSA-N 460.623 2.530 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1690236967 UHROIDAXFRAJKG-QUCCMNQESA-N 456.547 2.985 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690361548 YEUIQIBBZHBPOC-JYJNAYRXSA-N 452.943 2.839 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1690613430 HFCYHOKBLBNMKK-HNNXBMFYSA-N 499.431 2.790 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1690681319 MXPFMKBCUVEAIT-UHFFFAOYSA-N 481.626 2.808 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCSC2)C1 1690687826 JWQUXFOFMBPBLQ-HXOBKFHXSA-N 476.599 2.620 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1690715015 AZNBOFXDWBGPAU-SFHVURJKSA-N 461.636 2.632 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690719026 FYKZZRIZUFGZPH-QGZVFWFLSA-N 496.033 2.513 30 10 JFEE CCc1cnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)s1 1694553993 GLEVHBCKEULKGE-LJQANCHMSA-N 486.623 2.614 30 10 JFEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1697514346 FDUZRTMEFAAAAB-PXNSSMCTSA-N 468.455 2.659 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2([S@](C)=O)CC2)c1 1705508622 YTTGIAQDSDRNMX-YTTGMZPUSA-N 467.620 2.898 30 10 JFEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1705530269 VYEZELDYXKAIKS-NHCUHLMSSA-N 451.619 2.514 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705564592 CQRXFBWBVVZWIB-RTBURBONSA-N 460.625 2.509 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NC 1705621203 VQHUQVNIOGCCSK-UHFFFAOYSA-N 482.585 2.821 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1705632641 XELHWLHUZXELKH-DLBZAZTESA-N 461.492 2.974 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705640703 BKQJGAVVOYAVNU-IBGZPJMESA-N 476.547 2.517 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)O)CC1 1705652613 GXPXDZBVKMJRPP-UHFFFAOYSA-N 462.019 2.961 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705710189 VSMVBKAWGOGHKC-UTKZUKDTSA-N 496.033 2.573 30 10 JFEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705722278 DQDNYULBTONAFX-JOCHJYFZSA-N 469.590 2.661 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1705729374 VHZFTZSFLGXVHW-UHFFFAOYSA-N 470.622 2.557 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1705805331 DVZVDZIPNXFIOY-HXUWFJFHSA-N 478.638 2.711 30 10 JFEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705805539 JMOTZCSQHZEZJI-UYAOXDASSA-N 451.637 2.969 30 10 JFEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NC(=O)CCC)CC1 1705892670 YYRKFKKAEZGMQE-UHFFFAOYSA-N 465.646 2.714 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1705949897 MJUXOYDZEOBBJO-HOTGVXAUSA-N 450.609 2.581 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc2c(c1)OCO2 1706750918 BQWNBJJRJSPYOT-OAHLLOKOSA-N 468.539 2.816 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1706824464 BEGYYEDFRBJPIA-DLBZAZTESA-N 467.574 2.644 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSCC2)CC1 1710292974 DBMJAYAWLWKUCO-HXUWFJFHSA-N 469.659 2.556 30 10 JFEE COC(=O)N1CCC(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1711466271 ICOLJHKAQSXSJZ-HNNXBMFYSA-N 464.530 2.668 30 10 JFEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C[C@H](C)O1 1712303341 GDRFVQBTAFRHCJ-DWLFOUALSA-N 455.559 2.928 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)Nc1ccc(F)cc1 1722391067 HLHXEJOLIPDNQF-DEOSSOPVSA-N 453.518 2.559 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1722434577 RLSBALVILMPSQH-UHFFFAOYSA-N 463.674 2.536 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1722450121 YDSNQDRGQWTBSQ-RTWAWAEBSA-N 491.640 2.881 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1722459228 GAZDTUSWDCFGQE-BDTNDASRSA-N 460.692 2.881 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722463255 WQEYLBJUUHJZMG-UHFFFAOYSA-N 452.609 2.654 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(CCO)CCOCC(F)(F)F 1722482493 BGGLUZRINYOTAP-UHFFFAOYSA-N 452.275 2.570 30 10 JFEE C=C(C)COCCn1c(N(C)CC(=O)N2CCOCC2)nnc1C1(c2ccccc2)CCC1 1722537234 VUZGWEWYHASYHR-UHFFFAOYSA-N 453.587 2.636 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1722546048 UNMLPPICSDUREL-UHFFFAOYSA-N 471.949 2.840 30 10 JFEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 1722644836 QAWGYDYKNQPJON-BGYRXZFFSA-N 461.655 2.699 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC(N(C)C(C)=O)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1722730721 AXJVLRNZIDPEDP-AREMUKBSSA-N 483.613 2.990 30 10 JFEE CCOc1ccccc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1728890449 FCFSXYOVGOPRGK-XXBNENTESA-N 457.600 2.952 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740565248 PCMITLVUDRJBSS-DEOSSOPVSA-N 450.543 2.982 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740641820 PIPQQXRPJTWDOK-IBGZPJMESA-N 476.531 2.888 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C1CC1 1740655709 FPQMSZWEUUEYML-FPOVZHCZSA-N 470.618 2.532 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nnc(C)s1 1740671375 GANPBNQTSLOTGL-QGZVFWFLSA-N 475.619 2.839 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1740677787 QLRIMTYRPNYRBX-JOCHJYFZSA-N 487.377 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1740705534 HYSQFXKAGARHPT-OAQYLSRUSA-N 462.642 2.889 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 1740723592 QQKKHXPDXSWBQB-RUZDIDTESA-N 485.032 2.964 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740762134 BWUALASAASBKHF-IZIIKQMZSA-N 453.587 2.938 30 10 JFEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740780108 VOIYDHDRSLUOOC-CQSZACIVSA-N 471.363 2.816 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740943510 SPKMEFBHALIZGR-QGZVFWFLSA-N 450.522 2.983 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1740964642 SJOOEVIPYBLEAA-UHFFFAOYSA-N 498.584 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1740993187 UYKMCJBTVALUOE-FYYLOGMGSA-N 486.686 2.956 30 10 JFEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)C 1741135914 FSCHAESOOBJOGI-NRFANRHFSA-N 492.672 2.725 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1C 1742249557 FDPHLJADKNRZEM-GCJKJVERSA-N 474.562 2.557 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1748684519 KVRMBEYSNKTZHB-HZPDHXFCSA-N 481.416 2.902 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC(F)(F)CNC(=O)OC(C)(C)C)c1 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2.829 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NC)CC1 1359164839 BGVNNAPXDFCETG-KRWDZBQOSA-N 462.595 2.515 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCNC(=O)OC(C)(C)C)CC1 1359165457 PFOSEMSSXXTUDZ-KRWDZBQOSA-N 453.609 2.642 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cn[nH]c2)CC1 1359178742 ALDPQDKIHDINSA-LJQANCHMSA-N 457.579 2.955 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCO[C@@H](C)C1 1359230785 FYCZFHCNZXKZIK-SFHVURJKSA-N 461.010 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1359333424 XFOHLJLCQIFZLJ-MRXNPFEDSA-N 453.559 2.603 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359340728 XIDNIRAGNWCXKS-UHFFFAOYSA-N 456.601 2.966 30 10 JFEE CC1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1494053951 AJDRJQHZUPILQC-UHFFFAOYSA-N 496.635 2.876 30 10 JFEE CC[C@H](C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1494994113 IABOPTILOQHVFN-UEXGIBASSA-N 461.574 2.778 30 10 JFEE 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491.596 2.592 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)c2ccccc2F)CC1 1300724919 DBTXFSGUCMANQB-OAQYLSRUSA-N 482.604 2.804 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300777360 UPFSOZCXMZIOCY-SFHVURJKSA-N 457.600 2.679 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1300971764 AJXVCNCHYZXERX-UHFFFAOYSA-N 468.602 2.832 30 10 JFEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1301257993 IUDLRTLNCMJJST-LJQANCHMSA-N 460.600 2.817 30 10 JFEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301444802 ZUXCANAEBQRZBL-UHFFFAOYSA-N 470.574 2.501 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC)(CC)C1 1301481194 IXAMKBNWWSUSSF-UHFFFAOYSA-N 473.647 2.865 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC(F)(F)F)C1 1301565829 GSFKUKOIIYSTID-QGZVFWFLSA-N 462.476 2.741 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCCCCC[C@@H]21 1301566695 AVBLIFLYBPCMBY-MJGOQNOKSA-N 451.637 2.956 30 10 JFEE 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C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359229360 GXSLIPWCXSWUQP-UHFFFAOYSA-N 479.585 2.659 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CCCO1 1359281304 VHZKLZGBHHTOLL-XMMPIXPASA-N 452.559 2.883 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1359326751 IXTSYNGRMCDTHY-INIZCTEOSA-N 481.022 2.906 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1 1359336628 WWBJVNLFQRSEIG-KZNAEPCWSA-N 454.637 2.659 30 10 JFEE CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359643516 DGTAJQFGQXUUNX-IFMALSPDSA-N 494.644 2.562 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 1463608659 XOUCIPAASGQIHQ-SFHVURJKSA-N 451.589 2.916 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 1470576282 WLQAQWBRSOLGLN-FQEVSTJZSA-N 452.559 2.890 30 10 JFEE C=CCOc1ccccc1CN(C(=O)CSc1n[nH]c(CO)n1)c1ccc2c(c1)OCO2 1473018156 QWRHOJJXJPPDJE-UHFFFAOYSA-N 454.508 2.916 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C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1588673586 TUGSSORISBDVRN-NRFANRHFSA-N 460.600 2.527 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2c[nH]nc2C)CC1 1588907970 IXTJTKPTQHKMFL-UHFFFAOYSA-N 491.596 2.592 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2csc(CC)n2)CC1 1588930370 UMIZXGBNUGLECS-IBGZPJMESA-N 456.616 2.747 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1588967694 AEBVSXDDXUCPQV-LJQANCHMSA-N 498.653 2.979 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1589547843 WMPYGFIVZJQQKU-YKSBVNFPSA-N 453.587 2.722 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1593717785 KJBFWDCMZKPGAP-QGZVFWFLSA-N 491.522 2.586 30 10 JFEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594408537 JSFOSGZZDNQOHB-UHFFFAOYSA-N 458.628 2.796 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1594543642 DBFCZGUFXBOGMA-UXHICEINSA-N 492.667 2.554 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(OC)c1 1594943167 MFMXZSFFUPZLFZ-UHFFFAOYSA-N 456.572 2.926 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1595239180 GEKZSRAYKHMZQW-RDPSFJRHSA-N 454.644 2.902 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1595551293 NOEIIYPKNJNJCT-QZTJIDSGSA-N 462.595 2.515 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1595760571 QDKYLHYUOASZCQ-ZWKOTPCHSA-N 489.577 2.591 30 10 JFEE CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1606795693 HGGCTPCDYIIFNS-NBGIEHNGSA-N 483.592 2.754 30 10 JFEE Cc1cccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1611968507 GWEJXVRYPXTYTR-FQEVSTJZSA-N 488.596 2.786 30 10 JFEE COC(=O)c1c(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)sc2c1CC[C@@H](C)C2 1615232953 AANMSWOHDZCIKE-OAHLLOKOSA-N 453.568 2.687 30 10 JFEE C#CCCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 1628691367 UNRIGMWPZNOEGU-UHFFFAOYSA-N 459.656 2.925 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C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCCCCC2)CC1 1690144373 WSEOOTACWSCQME-UHFFFAOYSA-N 450.587 2.700 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690166075 TXEBGTKGQVNQJR-UHFFFAOYSA-N 458.595 2.917 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690240610 IEMJDGBJKLGMKS-LFAGZIFBSA-N 496.656 2.972 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690257327 FLODOTTXVUABHF-IBGZPJMESA-N 469.405 2.660 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690306660 ADDKGHSSFUFJKM-UHFFFAOYSA-N 457.550 2.752 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690365674 CWMROUSWETUIPU-JOCHJYFZSA-N 452.621 2.833 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1690583653 SBJYOXQEBMVWPH-IBGZPJMESA-N 474.569 2.772 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCO)CCc1ccccc1 1690644535 QXZRIBQAEFIYKA-FQEVSTJZSA-N 457.575 2.814 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690663713 DCTXAJOJUIWPRY-NYHFZMIOSA-N 463.941 2.814 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CCC1 1690672675 ZPAQZCJZXBRPOS-GOSISDBHSA-N 462.595 2.515 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](C)N2CCCCC2)C1 1690684719 MHAYZZWZWGWSTE-PMACEKPBSA-N 453.591 2.971 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(S(C)(=O)=O)CC2)C1 1690691666 JTCCKQNVHCDIEB-MRXNPFEDSA-N 466.991 2.966 30 10 JFEE CC(C)NC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)cc1 1692568619 DBAXTJFCQZEDHS-QGZVFWFLSA-N 452.563 2.831 30 10 JFEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 1694548932 FCUFKTZFCZFRBX-OFVILXPXSA-N 467.593 2.892 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1695022199 AAEKFYIMPNECNH-OFNKIYASSA-N 496.612 2.665 30 10 JFEE CCOc1cc(C)ccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1696105303 GHHUSKFMYRLXFU-SFHVURJKSA-N 466.567 2.754 30 10 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JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705703973 QCRJFRGRFDKDCT-YLJYHZDGSA-N 455.563 2.773 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1705755017 KHDVVZLRLCHNEV-CVEARBPZSA-N 469.970 2.728 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705787571 WNJMWNCXJQHITN-QGZVFWFLSA-N 456.595 2.691 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1705799940 KOUBVXMQNGCCQE-UHFFFAOYSA-N 457.542 2.875 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1705805437 HGDDLBVAIDTAIG-HNNXBMFYSA-N 467.533 2.559 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2C)C1 1705916735 REEYEMNTDIPMDZ-IRXDYDNUSA-N 459.572 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C)[C@@H]1C 1705936524 SHCUSWZCBRNFIN-FCEWJHQRSA-N 464.613 2.722 30 10 JFEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1709428968 CEQISEQXUJEVEG-FQEVSTJZSA-N 498.653 2.774 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC[C@H]2C)CC1 1710336139 DBBDVRSSZIOMNR-HXUWFJFHSA-N 464.618 2.933 30 10 JFEE COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2CCCn2cc(CO)nn2)c1 1711711055 HCVPAAVRLXLLQT-CQSZACIVSA-N 489.378 2.629 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCC(OC)CC1 1722293306 MFTHFYOSLBEERQ-GOSISDBHSA-N 477.613 2.539 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCCC1=O 1722298380 BPUPWKSTKWNONM-GOSISDBHSA-N 476.606 2.898 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@@H]2CCCC[C@H]2C)c1 1722309916 RCISKQXBEQEIQE-BVYCBKJFSA-N 478.597 2.881 30 10 JFEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722317233 NSDJICKNAASUSD-JOCHJYFZSA-N 470.643 2.898 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1722362196 MPRJOAZNLHKJDQ-GOSISDBHSA-N 466.007 2.825 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)CC1 1722430820 JINJQHJZOANIBG-HSZRJFAPSA-N 461.969 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C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1300502707 WEMHNTYGVHLZLU-FQEVSTJZSA-N 491.589 2.781 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300544690 BVLGJDJWYAYJGH-UHFFFAOYSA-N 479.581 2.840 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cnc2ccccc21 1300555273 WGTNIAAIAGLRBA-UHFFFAOYSA-N 452.522 2.828 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1300703573 LGCHEPJVVSFVBG-UHFFFAOYSA-N 468.508 2.677 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@H](C)N2CCCCC2)CC1 1300703885 VOQVCAWGWXBLAE-QFIPXVFZSA-N 450.631 2.897 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1300764495 XDXPXZIEQRNEIS-NRFANRHFSA-N 487.695 2.647 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300861313 GGAGGQXHJJVWFW-AWEZNQCLSA-N 473.393 2.644 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300862445 ZDZUANWDWLGQIX-HIFRSBDPSA-N 450.312 2.620 30 10 JFEE COC[C@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1)OC 1301011956 GPAZSOMDTRXMIS-SFHVURJKSA-N 465.558 2.637 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1301347151 PMFMFGMJQKBYSM-GOSISDBHSA-N 465.583 2.777 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCOC(C)(C)C2)C1 1301542564 CSOOKGRMCSOAPN-SFHVURJKSA-N 493.450 2.938 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CCC)C(=O)OC(C)(C)C)C1 1301554244 DHQJFJGVKDEIOC-QZTJIDSGSA-N 462.595 2.658 30 10 JFEE CCN(CC)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c1 1313701579 AHUVYQCAXPYRRG-QHCPKHFHSA-N 462.602 2.759 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1358929940 KYVOCTYXIKHJKZ-SFTDATJTSA-N 498.653 2.940 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1358948061 SUZWWGGOZDVBFX-NRFANRHFSA-N 474.650 2.819 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1358958599 RKIIFVACBGLYJZ-LSTHTHJFSA-N 463.003 2.776 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1358958789 WBSXDPGSXRMOGS-HOTGVXAUSA-N 487.409 2.540 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358959004 ZVCQDLIJXGXDSE-KRWDZBQOSA-N 468.526 2.598 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358959463 JGWKKOQYCMURDO-HXUWFJFHSA-N 485.013 2.735 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1358993442 NJBPNQPYDLQDMU-HXUWFJFHSA-N 451.546 2.659 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2csc(C)c2)n1 1359027249 BGGWUCXJZUAMEE-UHFFFAOYSA-N 450.572 2.580 30 10 JFEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359077635 HJUQQRGFAUELFK-CVEARBPZSA-N 491.390 2.939 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1359112733 RCAARBAMZCRINC-NTKDMRAZSA-N 462.639 2.862 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359169579 NKCLPBZRGFCWRV-OALUTQOASA-N 494.662 2.788 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@@H]2C)CC1 1359174045 VLBNHBFBTZIQGB-ZWKOTPCHSA-N 458.632 2.742 30 10 JFEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)c1ccccc1 1359194067 OGRXBIPMRASEGF-QUCCMNQESA-N 459.616 2.865 30 10 JFEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359203885 XUDGUHLDCHHBHJ-FQEVSTJZSA-N 455.607 2.908 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1359217042 MCXMEKKWELSEND-UXHICEINSA-N 476.622 2.905 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1359261361 GCUBRMCBFAAHAJ-ZHRRBRCNSA-N 454.556 2.719 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1359275257 OLKLEXFGAGZTBE-QFIPXVFZSA-N 481.622 2.645 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359347481 MCVWSUOYZXBLES-RBUKOAKNSA-N 469.677 2.880 30 10 JFEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1493191207 FRUJJZZMXUOJNA-SFHVURJKSA-N 497.600 2.653 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)Oc1ccccc1F 1499163988 FBDFZSUOQFBHMR-IAGOWNOFSA-N 450.522 2.824 30 10 JFEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1499458927 BSJOTULFEHEUKR-WOJBJXKFSA-N 454.575 2.956 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](C)C2)C1 1502482298 HLNLSQSNJYXPGX-HFSMHLIXSA-N 472.615 2.683 30 10 JFEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2CN2CCC(O)CC2)CCOC1 1502626643 ABZYMMKWBYRCRO-IBVKSMDESA-N 482.629 2.531 30 10 JFEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507591451 NXVPUQQAUMFRNX-NRFANRHFSA-N 492.045 2.567 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1507630110 ZLYOHDMQXIIDTC-SFTDATJTSA-N 497.665 2.784 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1507640478 SWHPYDWVYNKEGZ-HXUWFJFHSA-N 495.630 2.968 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(F)(F)F)n1 1507652964 KPYPNZTXISDARO-UHFFFAOYSA-N 480.498 2.987 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507682065 ILKMDNWOHUOTNY-ROUUACIJSA-N 456.957 2.799 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CCC[C@@H](C)C2)CC1 1507731260 DSDKSKXAJLDOQE-PKTZIBPZSA-N 499.704 2.880 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507839015 OIWRLCVJEVOUFG-UHFFFAOYSA-N 485.557 2.611 30 10 JFEE C=C(Cl)Cn1c(N2CCCN(c3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1507873122 AOPKBLLPFWUCJZ-NRFANRHFSA-N 450.946 2.934 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC2(CCOCC2)C1 1508073094 GZCWFKFNUQHQOV-UHFFFAOYSA-N 455.559 2.662 30 10 JFEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1508089100 VOGKPDYQVLKSAT-MSOLQXFVSA-N 465.558 2.536 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1508134794 WFNDXBVYYUTCSN-QGZVFWFLSA-N 479.603 2.798 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1508143858 PDAYSELCXSYZES-QZTJIDSGSA-N 450.630 2.831 30 10 JFEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1508154432 AIVHVFCSEIAEOX-WMZHIEFXSA-N 483.686 2.947 30 10 JFEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCSC(C)C)C[C@H]2C)CC1 1508266996 CYGIVMIHCQEXTP-AUSIDOKSSA-N 481.670 2.947 30 10 JFEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1 1509405369 DCXRDVOVRBZXSM-HSZRJFAPSA-N 465.646 2.953 30 10 JFEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1509876882 BBKPLQHFYSWQGJ-FYYLOGMGSA-N 452.603 2.915 30 10 JFEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1512495888 CMLDPFHJAVTAGU-CRAIPNDOSA-N 480.491 2.657 30 10 JFEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1516946423 GSCBFCGDNVTROX-QHCPKHFHSA-N 472.597 2.791 30 10 JFEE C=CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1530298080 SZGVEBADAOLSFW-KRWDZBQOSA-N 458.565 2.821 30 10 JFEE C#C[C@@H](NC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1)C1CCOCC1 1532935080 WZNHZUOZNADEOK-OAQYLSRUSA-N 452.507 2.880 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539025544 JXWDTFYQHNKGCI-GCJKJVERSA-N 461.570 2.763 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)c1 1539043049 MUYTVVHPIJOYQU-INIZCTEOSA-N 462.476 2.874 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539124302 MRICRVDDWGSKCU-UHFFFAOYSA-N 481.551 2.940 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539223259 ZZOUFJIRRNZNKB-HKUYNNGSSA-N 458.584 2.648 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539230552 NZLYDZMINKIIKR-TYBLODHISA-N 486.638 2.652 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1539231671 WSALHFCAQWSNLD-FQEVSTJZSA-N 485.635 2.800 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ncccc2C)CC1 1539481850 HCUTWFPYEXVSOK-UHFFFAOYSA-N 458.566 2.595 30 10 JFEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539510900 OJWMCHGCMNIJNL-MRXNPFEDSA-N 459.597 2.836 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1539521029 VWKFRTGJGZXZSX-OAQYLSRUSA-N 469.655 2.793 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1539608818 DKPGOKPAPDKCNZ-FQEVSTJZSA-N 464.364 2.737 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1539620688 MSYVLFLFQJLYAE-FUHWJXTLSA-N 481.416 2.924 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539629378 WUIYVNMAUHIDDX-BWKNWUBXSA-N 496.656 2.925 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1539967034 NXWYCJXSTMSJMS-LJQANCHMSA-N 469.558 2.882 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1540142014 GVJPLSDMWZUEEF-QUCCMNQESA-N 457.648 2.509 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1540870040 DFXGCLAHQBBINV-AQNXPRMDSA-N 488.633 2.558 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540875373 JRDRZLLKTUKBCQ-ROUUACIJSA-N 456.616 2.554 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1540900380 SYSNGRNKJSOCME-FQEVSTJZSA-N 474.627 2.876 30 10 JFEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1540911777 BQLHFGXHMDQLNY-UHFFFAOYSA-N 472.640 2.884 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1541711013 IBRQFTLOOBNXMW-UHFFFAOYSA-N 467.599 2.652 30 10 JFEE C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)N1CCCCC1 1541819468 FSMFSDRGGNMISQ-LJQANCHMSA-N 485.658 2.599 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1546818613 BRCKHZANFUMELO-UHFFFAOYSA-N 477.613 2.960 30 10 JFEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1555155171 HLGSNGPHCDZPJN-OFNKIYASSA-N 468.602 2.845 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 1555388545 HQEZITHZYLHVSP-MXBUBSDBSA-N 468.602 2.556 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 1556461343 XSNMNPYKILEWFR-UHFFFAOYSA-N 456.490 2.642 30 10 JFEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)NS(=O)(=O)c1ccc(C)cc1 1559380379 BEPXIWVDPZDLDP-UHFFFAOYSA-N 458.565 2.949 30 10 JFEE COC(=O)COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 1561452567 HFEGMTDOAAKFRQ-GFCCVEGCSA-N 453.314 2.912 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC[C@H]1CC 1587580186 NJDCHVKUUBSSHX-TZIWHRDSSA-N 472.659 2.918 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1587632610 MYZKTWWXZHPKNT-LJQANCHMSA-N 472.597 2.660 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1587633736 YMVQSGYXLHXADN-MSOLQXFVSA-N 456.595 2.612 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCCO)CC1 1587862340 VFXCLGFHQWDYNO-HXUWFJFHSA-N 461.607 2.989 30 10 JFEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587888508 GWZLMFAHXLLENX-JOCHJYFZSA-N 464.570 2.600 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587927059 RRIHDFYMQVDIMF-IBGZPJMESA-N 460.529 2.559 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588040297 LKBDKJRXTZFOBP-FQEVSTJZSA-N 461.632 2.982 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045809 RBVFNSGPHGYEKD-FGZHOGPDSA-N 457.644 2.938 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588059026 HTTBVYIRDNDKOE-JOCHJYFZSA-N 474.602 2.842 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1589088788 IVXWGBYDULHACL-UHFFFAOYSA-N 451.581 2.535 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1589171475 HHBDWJKMTGCIOQ-XMMPIXPASA-N 464.595 2.850 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1589427671 UYMMOFGXMKQYHM-INIZCTEOSA-N 467.437 2.701 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1589568333 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30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1749015572 HKPIZYRWFHCPQB-IRLDBZIGSA-N 465.598 2.804 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749083011 AHAOUBBKVCPMGJ-CQSZACIVSA-N 450.385 2.833 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)C(C)C)CC1 1749141819 KCMYRMRQCCIEMI-WAGURGNTSA-N 475.634 2.724 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749220775 PNPXUUXSOPSHRC-NFBKMPQASA-N 482.629 2.535 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1749329841 TVFSDCGMNGGSDO-CVEARBPZSA-N 451.568 2.897 30 10 JFEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749345423 HQDDDNHBYXUAOW-QZQOTICOSA-N 453.572 2.563 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC1(O)CCN(C(C)C)CC1 1749540800 BXQLCDDCAKNRFD-UHFFFAOYSA-N 472.609 2.983 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC1(C(N)=O)CCOCC1 1749552542 FHSICQDQQDXNSK-UHFFFAOYSA-N 452.584 2.800 30 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JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1760190189 UARFTJUQPCNALC-HXUWFJFHSA-N 482.585 2.632 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760192195 SBGANAZFPDVCTP-PMACEKPBSA-N 478.565 2.504 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760193082 SOQDZYILTINOAO-NJDAHSKKSA-N 479.691 2.554 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(C)=O)nc1 1760240091 HITSRJRRIHFMLS-UHFFFAOYSA-N 463.517 2.597 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(Cl)nc1 1760247707 LSHMZNVJBIGXJW-UHFFFAOYSA-N 477.956 2.858 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NCCC)CC1 1760270909 FJFIONABXRNJPU-UHFFFAOYSA-N 494.640 2.647 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N3CCCCCC3)nc2)CC1 1760273100 ICDOMBHCLNVCJG-UHFFFAOYSA-N 479.629 2.604 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1760299977 OAYXFDVLBDVZKZ-FQEVSTJZSA-N 464.339 2.660 30 10 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2.643 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760560802 FJTKKXHWLUJNME-QAPCUYQASA-N 453.609 2.909 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCOCC1 1760696385 HZWBSESXLSXLKJ-NRFANRHFSA-N 451.619 2.665 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cn2cccn2)cc1 1761356458 HYSWFIXTBQHVNO-SFHVURJKSA-N 455.526 2.957 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1763932288 CARIGVUUEOCNEK-HXUWFJFHSA-N 474.613 2.782 30 10 JFEE CCCCS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cc2)CC1 1858064190 FCXVWYZTJVLYQA-UHFFFAOYSA-N 462.597 2.611 30 10 JFEE Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(O)c1-c1ccccc1F 1858574147 ACVMUHVOLKUQOJ-UHFFFAOYSA-N 453.499 2.679 30 10 JFEE CC(C)Oc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 1858633098 UDWRTRBXUYTDQR-UHFFFAOYSA-N 488.635 2.841 30 10 JFEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccccc2F)c1 1862556342 UMUSNETUZXYWNI-NRFANRHFSA-N 481.505 2.834 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1286466971 MNQUYWIIUOJCAH-MRXNPFEDSA-N 491.511 2.599 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286470489 WTNPRCYSYJOVDZ-FIKGOQFSSA-N 459.616 2.718 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1286474963 UCJKRIVEOOXLBJ-HSZRJFAPSA-N 454.962 2.866 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnc(C)s2)CC1 1286491322 NDMHCHAJJOPBJC-UHFFFAOYSA-N 470.002 2.696 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(F)cn2)CC1 1286492440 LPGJETADCASNRI-UHFFFAOYSA-N 466.492 2.544 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286534765 CQXPZYJNHIOPIC-BEFAXECRSA-N 459.385 2.685 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1286556888 RUBPJLVULCMCHK-MDPIYQRISA-N 452.621 2.557 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCCCOC)CC1 1286592173 OGADHVIXQUZTRV-UHFFFAOYSA-N 452.559 2.790 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1286604825 PYEMKMKOPOLOPY-DEOSSOPVSA-N 489.642 2.795 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccnn2)CC1 1286612290 CDNLASPRBUZUSC-UHFFFAOYSA-N 453.522 2.706 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286621621 LGYYBECJPODBBF-IBGZPJMESA-N 450.330 2.561 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286666397 BVCITWCNOZYKPB-KRWDZBQOSA-N 492.621 2.592 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccnc1N1CCOCC1 1286721113 ZXXVUELBKVLMFI-UHFFFAOYSA-N 450.543 2.864 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1286763163 UKWQXVUGUNOZNF-BGYRXZFFSA-N 493.616 2.856 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286779563 JJIJNXLKGMDESB-INIZCTEOSA-N 498.519 2.806 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1300309430 HEUBONLRRSKGCW-WIYYLYMNSA-N 496.612 2.795 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(C)n2)c1 1300331837 RUDHGIVKVWFRSC-HHHXNRCGSA-N 488.592 2.933 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC(F)(F)C1 1300664659 SXFLYTKSYVBWDS-MRXNPFEDSA-N 456.497 2.713 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300733429 JVUYAAFAGCNOCM-QZTJIDSGSA-N 471.583 2.824 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1 1300761405 CLUPAZQJEIQLFM-RBUKOAKNSA-N 479.647 2.816 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)NC)CC1 1300872731 CTIQKPFKTBJULL-PGRDOPGGSA-N 469.586 2.906 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301002429 ZILGZIROOHMLLR-VAMGGRTRSA-N 488.633 2.556 30 10 JFEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1301029554 PVNQYUILSORCCW-RDJZCZTQSA-N 461.950 2.794 30 10 JFEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC(=O)N(CC)CC)CC1 1301079643 JBJGPLUAZMUIHQ-UHFFFAOYSA-N 463.586 2.997 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1301127151 ZLVBFRKOCYHIAP-MRXNPFEDSA-N 489.589 2.743 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1301150142 NLLIWSGELGXBCY-UHFFFAOYSA-N 456.639 2.661 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC(F)(F)F)C1 1301289326 APPPPBQCWXQMER-HNNXBMFYSA-N 461.492 2.698 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1301503243 XAYLBLWZOFFQHD-XDHUDOTRSA-N 487.004 2.928 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 1301520155 CXDWUPPTIOOPPU-IBGZPJMESA-N 468.602 2.723 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1301579517 UEPVIQRHBDCTAH-FQEVSTJZSA-N 486.598 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1301587636 WGKOKWSFFLKNRL-UHFFFAOYSA-N 486.617 2.949 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCC(=O)N(C)C 1304058216 DVPXIZJWNAWKCY-QHCPKHFHSA-N 486.646 2.545 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1306044260 HAXSEROOARGIKA-LJQANCHMSA-N 476.585 2.783 30 10 JFEE Cc1ccc(-c2noc([C@H](C)NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)n2)cc1F 1312277700 GZPAWGQKFBNZDA-CABCVRRESA-N 450.478 2.827 30 10 JFEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1313781985 GBQRKHGOWPCJOX-CTNGQTDRSA-N 473.599 2.559 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1313963061 FPSXHWRFNRPLEK-OAQYLSRUSA-N 467.618 2.526 30 10 JFEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CCOC1 1315268476 DLERSHLUCQIIQR-KBMIEXCESA-N 482.585 2.973 30 10 JFEE COCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1315845907 BHTSECZXZJXRDT-OALUTQOASA-N 474.606 2.938 30 10 JFEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1 1315979840 GRLQVHNZBBFIDY-AREMUKBSSA-N 482.629 2.971 30 10 JFEE C#CCSCC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1351630535 KQVDQGOIZKIQIB-XNTDXEJSSA-N 456.492 2.816 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)c1 1355984609 WFYOKFBYWNQJDD-LJQANCHMSA-N 450.535 2.756 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(S(C)(=O)=O)CC1 1358876580 MTTWWDZKFHJRAH-CYBMUJFWSA-N 467.389 2.751 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1358879452 RHZJATSJEXPGFF-AWEZNQCLSA-N 456.348 2.627 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358964830 IBLYFSBLYRXBCT-NRFANRHFSA-N 481.647 2.991 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCn1cc(Br)cn1 1359025454 PDJBHKOZXVECEC-IBGZPJMESA-N 487.358 2.536 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1CCN(CC(F)(F)F)CC1 1359026330 SUTROPIRXVWHIC-UHFFFAOYSA-N 470.565 2.994 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C1CC1 1359066250 TUYUKIHCUORHEN-NFBKMPQASA-N 457.600 2.613 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359118676 VYKPINNXKFYNNC-DEOSSOPVSA-N 484.645 2.770 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1359173694 LZHACBBGVSUVQL-VFNWGFHPSA-N 468.023 2.852 30 10 JFEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(C(F)(F)F)cc1 1466282084 ZVZQSMBUGKLCDL-SZMVWBNQSA-N 458.502 2.865 30 10 JFEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2NC(=O)Cc2cccs2)C1=O 1467531530 HKGRTOVGJNTWMB-GOSISDBHSA-N 457.552 2.805 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)CC1 1503271738 FDGFEBVRZZFCIO-UHFFFAOYSA-N 482.557 2.682 30 10 JFEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@@](C)=O)CCC2)cc(OC)c1OC 1504072737 CNRRQFFXCXSEQI-GSTQUKTASA-N 477.562 2.714 30 10 JFEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)C1 1505142698 GMKZLOXAOHCKTA-ICSRJNTNSA-N 474.656 2.868 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)NC2CCCCC2)c1 1507551132 BAENVMILRVUFHI-UHFFFAOYSA-N 485.592 2.769 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1507572769 WXTGJGNSLNLXOE-UHFFFAOYSA-N 473.585 2.887 30 10 JFEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1507592024 PSCSWKAYSNGKFR-UHFFFAOYSA-N 464.618 2.560 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ccc(C)n(C)c1=O 1507617781 AIYAWUYHXLRXGP-UHFFFAOYSA-N 456.344 2.744 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507628855 IRZLKTIXUBASTQ-MRXNPFEDSA-N 481.416 2.759 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507632675 OZVYTZZXUQYYAH-ZSYWTGECSA-N 477.631 2.600 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC(F)F)c(F)c1 1507653921 WZZSVAUPYCKNBK-UHFFFAOYSA-N 457.412 2.867 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1507704506 FCPHRCOFASWZAQ-HSZRJFAPSA-N 476.046 2.892 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507724951 MWUNSMGWLCZEOI-OAQYLSRUSA-N 482.633 2.614 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C)nc2)CC1 1507733986 DVJNCDJARJUKLX-UHFFFAOYSA-N 474.565 2.680 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1507820835 NYRDRBIYUANSLN-IBGZPJMESA-N 499.584 2.972 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507860441 OZRLOXPHOXACPQ-UHFFFAOYSA-N 479.766 2.981 30 10 JFEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507951924 JFYAAUOISGIRHP-UHFFFAOYSA-N 499.641 2.685 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)Br 1508000577 CITBEMJYZNZFHN-HNNXBMFYSA-N 454.394 2.990 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1508092718 GEUTVZVNWUASJQ-UHFFFAOYSA-N 477.034 2.831 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCN2CCOCC2)C1 1508112598 BHOATBIFJWSUSQ-GOSISDBHSA-N 479.423 2.929 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1508166919 GNAWHDLNFLPQPO-UHFFFAOYSA-N 468.627 2.591 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508167708 OXFIKDSGSGYLMZ-FQEVSTJZSA-N 452.584 2.769 30 10 JFEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1511216382 FRHGOPILFLDGAQ-HKUYNNGSSA-N 464.492 2.779 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C 1517451394 HUCVXTPMSPCCTC-LPHOPBHVSA-N 451.600 2.999 30 10 JFEE COc1cccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)N(C)C)c1 1518348361 AFRXITPPKPMTIG-PXDATVDWSA-N 465.602 2.842 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1538983199 OZOZXZCETDUUNS-JKSUJKDBSA-N 469.533 2.691 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1539202207 GRCOKNGKVONYFU-QXAKKESOSA-N 464.563 2.609 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C(CC)CC)N1CCOCC1 1539251636 LGXBWRLHROGZFK-JOCHJYFZSA-N 463.582 2.884 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(F)c1 1539258104 PWFAZBQYBIMKRK-UHFFFAOYSA-N 466.542 2.507 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1539278778 LMQDCTBVAZETBL-PMACEKPBSA-N 463.586 2.882 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CCOCC1 1539326056 QXDODZMKUNWOFH-OAQYLSRUSA-N 471.602 2.866 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCN(CC)CC1 1539346839 LPWCNSHQYZYKNZ-KRWDZBQOSA-N 462.440 2.769 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O 1539390949 ZZDSWBHQILTBSW-UHFFFAOYSA-N 497.600 2.543 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C 1539392678 SNHNZJGUUPSPQT-HXUWFJFHSA-N 470.574 2.623 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(C)C)CC1 1539511091 PWJLKEUIEAPDKW-UHFFFAOYSA-N 475.688 2.525 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1539573904 FYGRDPAUIOVDNJ-CQSZACIVSA-N 473.335 2.909 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(C(=O)NC)cc2)nnc1[C@]1(OCC)CCOC1 1539641476 MSPTVGNFMGFWDI-UFPGJGBJSA-N 483.613 2.907 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1539688475 CHQXFMIWIRSFGU-IBGZPJMESA-N 472.615 2.507 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1539704505 DIBKIGUPUOYCRS-LSDHHAIUSA-N 458.510 2.813 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1539931138 HAHGBUHSBNJEBI-UXHICEINSA-N 459.616 2.790 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccncc1)C1CC1 1540098763 HVKLKPGNTDRGGS-UHFFFAOYSA-N 452.584 2.988 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1cccn(CC)c1=O 1540119978 NVUCIFNLVLLHHT-UHFFFAOYSA-N 476.581 2.945 30 10 JFEE CCCN(C[C@@H]1COc2ccccc2O1)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1540829609 GVSPGFQFDRWXKQ-DLBZAZTESA-N 457.552 2.582 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)CC1 1540871880 WGPAUEIMKCTYHA-GOSISDBHSA-N 462.595 2.515 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1540874541 KEZRDIAIAYSESU-HXUWFJFHSA-N 479.585 2.927 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1540903406 CSGRWNVRNATEMF-HXUWFJFHSA-N 462.591 2.862 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540910585 LCAOKSQSJZVYAA-KRWDZBQOSA-N 451.574 2.786 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1540917075 NATITOPLJIUUIO-INIZCTEOSA-N 483.610 2.704 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)N1CCOCC1 1541109094 AUWIBLZGQINVBJ-CQSZACIVSA-N 479.354 2.691 30 10 JFEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1547250590 HUNUSZFOTGNUDO-QGZVFWFLSA-N 464.599 2.683 30 10 JFEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CC1CCCC1 1548372672 SLKCPEHMZQMUST-FQEVSTJZSA-N 466.504 2.937 30 10 JFEE CN1CC[C@@](O)(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)C1 1554357791 HABFQRVZARTQSF-NRFANRHFSA-N 465.385 2.970 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(N)=O)c1 1555555437 CLXBCLOFBQDCBI-UHFFFAOYSA-N 472.347 2.549 30 10 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C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1594497937 OLZSULNROKKXSZ-SFHVURJKSA-N 453.591 2.595 30 10 JFEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@H](CCC3)C1 1594783828 JQJQWUDFOZAPAF-YLJYHZDGSA-N 459.616 2.921 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H](C)C1 1595142645 TXDSOQMLZQQOFS-ULQDDVLXSA-N 453.634 2.958 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC1(C(N)=O)CCOCC1 1595161538 DBUUUIYZMTZUCX-UHFFFAOYSA-N 452.584 2.800 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1595335559 VQSKIYCXRYWSHR-CJNGLKHVSA-N 459.494 2.537 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1595369519 KSYAUDLMVDPUDD-UHFFFAOYSA-N 498.447 2.770 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1596183335 GCJKJEJHKQNUTK-UHFFFAOYSA-N 485.470 2.870 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](SC)C(C)(C)C)CC1=O 1619938588 BFNZCUUVFORTOS-LJQANCHMSA-N 456.616 2.889 30 10 JFEE 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690239673 ZICJXFBOIKJNGT-FNXXIHLHSA-N 477.407 2.979 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690254608 DUNSPUMGIZGAAR-JXALWOEJSA-N 477.606 2.578 30 10 JFEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccccc1 1690441809 HJSRVLLQRYSFSW-FGZHOGPDSA-N 450.587 2.979 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1690609297 KFDCWHJARGSQGT-ICSRJNTNSA-N 495.671 2.582 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690665811 PZKWESHDRKICDE-KKSFZXQISA-N 455.559 2.658 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1690673165 QBOZSWUJIZRPAT-GOSISDBHSA-N 452.946 2.877 30 10 JFEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690740026 GQZBHHYNEOECKY-IAGOWNOFSA-N 490.630 2.943 30 10 JFEE C=CCSCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690749648 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C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359227325 YLCQYZFWKDMQDI-LJQANCHMSA-N 497.662 2.609 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCO[C@@H]1C 1359255863 MXMLVABFRLNQBF-WVQWTBLQSA-N 467.570 2.534 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1359286724 NZENQNJCXBFUHP-LJQANCHMSA-N 465.602 2.798 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359305272 XZOWHBACOOPKOM-INIZCTEOSA-N 496.559 2.686 30 10 JFEE C=CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359346495 NBFKHTYBROWEDN-HDICACEKSA-N 478.663 2.930 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359554983 DEUGSWROUIMOAN-GOSISDBHSA-N 492.646 2.567 30 10 JFEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359763265 HYHWBAPSMRCCCX-WXVUKLJWSA-N 466.586 2.847 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(C)C)C1 1360315782 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C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccnc1OCCOC 1507670705 APDTYRWMOCQRPG-HSZRJFAPSA-N 473.533 2.722 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507672035 UZXMTRKWDYYAHV-VWLOTQADSA-N 485.636 2.756 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1507734642 RYNTTWPLVXQVFJ-QHCPKHFHSA-N 499.059 2.921 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1507739593 SCNZVEQLYPWYFB-RUZDIDTESA-N 453.562 2.948 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)c(OC)c2)CC1 1507739882 VVEBCTGRMCZPOS-OAQYLSRUSA-N 451.571 2.851 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1507741459 UEXTUFHCYYDALX-IFMALSPDSA-N 495.624 2.773 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507754613 XLKYOFVLNOAVBX-NHCUHLMSSA-N 474.719 2.860 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)Cc1cccc(F)c1 1507760807 BQNRPSIHMANMJD-RUZDIDTESA-N 468.577 2.687 30 10 JFEE 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458.607 2.931 30 10 JFEE C=CCOc1ccccc1Cn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1508102830 AWSFYNSCGUYYGW-REWPJTCUSA-N 466.630 2.833 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)NCC2CC2)C1 1508128224 ZFYMUYRFCQHSIR-HXUWFJFHSA-N 488.633 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508145176 JVFTUSSYRKPAAJ-UXHICEINSA-N 481.018 2.507 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1508147576 LAPWRDVMTBZZCO-RTBURBONSA-N 498.552 2.910 30 10 JFEE CCCNC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)c1 1515001004 HHUGWKQWJTXMFB-XMMPIXPASA-N 464.549 2.770 30 10 JFEE CN(C)S(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1517028644 DIZWBGSTKLDSQX-FQEVSTJZSA-N 450.996 2.544 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1517720474 GRIAGJQEWCMHGG-NRFANRHFSA-N 481.601 2.738 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC(C)C 1539032200 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C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1540900998 PKFSYCGGSCARPS-QGZVFWFLSA-N 463.560 2.719 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540905687 YULLJHGYBHVEIO-HXUWFJFHSA-N 470.599 2.553 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(c3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1540908595 JPFPYSYFXULLDC-JOCHJYFZSA-N 480.656 2.977 30 10 JFEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncn(C)n1 1542132915 AAJTXFZOXVKZQE-DOTOQJQBSA-N 456.938 2.594 30 10 JFEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1545663763 CEBWQYZDVPBPND-SFHVURJKSA-N 463.565 2.803 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1554122063 GZTIAORPLCLDPI-FQEVSTJZSA-N 473.599 2.559 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](CC(C)C)N(C)C)c1 1587692708 IYLLNFICZSGVSH-RBBKRZOGSA-N 452.603 2.815 30 10 JFEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1587754731 KRGPNJWTTDHDEH-UHFFFAOYSA-N 463.586 2.944 30 10 JFEE 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RUVUVFAXQQHQKF-GJZGRUSLSA-N 452.298 2.728 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC(F)F 1359240234 JKNZJMPRWVYSGM-INIZCTEOSA-N 491.948 2.536 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359292985 CLHSCYDNLYJNKV-UHFFFAOYSA-N 487.402 2.505 30 10 JFEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1459994764 MTAOSWQVDVNZJX-UHFFFAOYSA-N 452.559 2.789 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc(COc3ccccc3)n[nH]2)cc1 1465259072 KYOMXGINHIHVDV-UHFFFAOYSA-N 456.528 2.512 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cc1 1502867392 CXPOMJBPBJRHMW-AGILITTLSA-N 498.628 2.902 30 10 JFEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1502933777 CACLISKKYKOSKX-IWRZYZMASA-N 452.559 2.636 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCC[C@H]2C)c1 1504139029 AUEWPJGBCRSMGW-IUSZMWJPSA-N 476.375 2.996 30 10 JFEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(Cl)s2)C1 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BMTIPNLATGQVGP-UHFFFAOYSA-N 467.639 2.763 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507745242 VAOBXKQNUXWKHS-LSDHHAIUSA-N 466.361 2.527 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1507791588 NSECNLVPGHQWKY-QXAKKESOSA-N 495.466 2.855 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507838549 DIKKSJOGIZHQIE-VQIMIIECSA-N 479.423 2.785 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCN2CCCC2)CC1 1507877140 BNBZRZPDUQFVKR-UHFFFAOYSA-N 458.632 2.838 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507910427 RLHIMMWUNKWVJV-BKJGLDIHSA-N 461.607 2.991 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 1507916804 UVNCSYGVOTUXBC-FQEVSTJZSA-N 477.631 2.858 30 10 JFEE C=CCCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507953109 FZZVZLMKNLATQR-WIOPSUGQSA-N 460.667 2.890 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507958680 AWLKWOYGAHWMMP-UHFFFAOYSA-N 467.961 2.944 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nc(CCOC)no1 1508061201 LAKZCKKGAVZZSJ-MRXNPFEDSA-N 461.567 2.787 30 10 JFEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CC1 1508335552 FEAKXUJXNOSPJT-UHFFFAOYSA-N 452.469 2.698 30 10 JFEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1508624737 DOEHCZFROMQEQQ-UHFFFAOYSA-N 492.628 2.849 30 10 JFEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1510126472 ATBUSFWBDZJIQD-UHFFFAOYSA-N 466.496 2.683 30 10 JFEE Cc1ncsc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCC(C)C 1510450091 GDAZJTBBJSMWAL-KRWDZBQOSA-N 450.634 2.954 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1515392187 BFVLEGIIOUBUQQ-UGKGYDQZSA-N 470.643 2.951 30 10 JFEE CN1CCN(CCn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1517417554 FMQRTQHOJMBRKG-HNNXBMFYSA-N 494.463 2.524 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 1524983241 IVPKOPJCNPWOQE-UHFFFAOYSA-N 459.300 2.520 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)C1=O 1532262358 FXXQAZGZPQLNHY-CQSZACIVSA-N 457.701 2.672 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(F)ccc1OC 1539153802 JJKDVKUNTHSROF-UHFFFAOYSA-N 456.547 2.812 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1539219948 GEURQDWXVVXLIM-OALUTQOASA-N 497.543 2.803 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1539229882 JHKICJWEUHNCHG-AZUAARDMSA-N 460.625 2.688 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539506574 MLEAOWTXEYLEHJ-HNNXBMFYSA-N 499.456 2.706 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(CCCCC)nc1C 1539538238 FMQKFKPOSSQZRD-PGRDOPGGSA-N 461.636 2.624 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1539548229 IKVLFXKFJRTLOZ-HSZRJFAPSA-N 475.615 2.626 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539600747 SJYOGYNKYXYPDV-INIZCTEOSA-N 495.328 2.528 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1539621316 QJBJZKLLGMLYKC-NEWSRXKRSA-N 490.402 2.640 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539685132 UNHFJGPDFMPGHI-IAGOWNOFSA-N 451.568 2.899 30 10 JFEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1539729334 HYEUDVBOCUMTHZ-UHFFFAOYSA-N 464.570 2.689 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539750306 KHZNUEITMZHKSA-FQEVSTJZSA-N 474.600 2.956 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1540133570 LNNZPIFVHLQBBG-HXUWFJFHSA-N 488.639 2.617 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1540142893 QANJATKAKNDVGI-UHFFFAOYSA-N 477.594 2.971 30 10 JFEE C=CCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540860537 XRUAKVLYFYYFGI-KNQAVFIVSA-N 452.603 2.594 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](COC(C)C)C1 1540898872 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30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286546838 AMZOFAUCBQYZIA-XLIONFOSSA-N 470.412 2.580 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1286566635 SETOHLFXWDJADQ-SQJMNOBHSA-N 483.613 2.750 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1286768664 BXPXDOSQALVSER-SFHVURJKSA-N 496.012 2.775 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1286791336 REHCAKCKTZXVLX-SBUREZEXSA-N 462.595 2.515 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1286959155 DYFNSPSDXQWSHX-GOSISDBHSA-N 472.553 2.692 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CCC1 1288505741 CGYNKORHPDCPDM-IWAYBZMOSA-N 463.007 2.901 30 10 JFEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)sc1C 1289137958 IFTJABRQDVNWIX-GOSISDBHSA-N 456.597 2.756 30 10 JFEE Cc1cnc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)s1 1290294139 CDFFNTOOVLEGRX-WMLDXEAASA-N 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CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@H](F)C1 1303407193 BILMTLJKDJYHHK-RTWAWAEBSA-N 453.566 2.748 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccccc3OCC(F)(F)F)CC2)c1C#N 1304730474 DWINRPIIPQHKNG-UHFFFAOYSA-N 474.491 2.816 30 10 JFEE CC[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N)N1CCCC1 1305830809 CDTRUTPXUMRWAN-FPOVZHCZSA-N 451.623 2.922 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)NCCCn1nc2n(c1=O)CCCC2 1310862212 FUPABQVLBKAKIH-UHFFFAOYSA-N 450.337 2.920 30 10 JFEE COCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1315843550 HOMFITGREGRFLR-QHCPKHFHSA-N 459.522 2.847 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1358922663 MLNKWYPMDDTXJW-FQEVSTJZSA-N 467.599 2.812 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358959649 NCGUHRWZOWOXKF-QFIPXVFZSA-N 455.628 2.838 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358960076 WNXLDYJNPCYBHY-MOPGFXCFSA-N 453.568 2.545 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1358960229 ZXKYOCMWRBXLPX-OAQYLSRUSA-N 469.611 2.896 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1358962982 ZYSCWICBGHSDMT-SJLPKXTDSA-N 466.966 2.640 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C(C)(C)C)no1 1359002785 NEUNNPIRYIPOBX-UHFFFAOYSA-N 470.599 2.989 30 10 JFEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1359019474 WHEWQBDHSGCGHF-NSXLHWASSA-N 458.534 2.981 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1359055929 SNUULMUJDOJGBF-UHFFFAOYSA-N 479.610 2.701 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359058045 QYPHSEUTZUKEKR-OAHLLOKOSA-N 454.568 2.527 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359081495 CSFFJSXHORVUMM-AWEZNQCLSA-N 461.324 2.728 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359092085 WXVVMQADUNXLCX-LNLFQRSKSA-N 493.534 2.979 30 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C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2F)C1 1359313354 KNLPBLZHNJQQAH-CZUORRHYSA-N 457.959 2.510 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)F)CC1 1359330692 ZQZRWHIRXHHKJF-UHFFFAOYSA-N 459.950 2.586 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(CC)C1 1359331106 NMQOPUHYMZZBBP-QHCPKHFHSA-N 470.599 2.737 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2c(C)nc3cc(C)ccn23)CC1 1440623495 JHJARNJJMKBDGY-FQEVSTJZSA-N 453.587 2.902 30 10 JFEE Cc1csc([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)n1 1492638065 BUONOXSRIGTHPP-OAHLLOKOSA-N 485.639 2.903 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCO[C@@H](C)C2)cc1OC 1504184023 DONSIJWQDUZHJK-MHECFPHRSA-N 472.565 2.905 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507576411 LRVKPBIOAXMFGI-UHFFFAOYSA-N 479.585 2.791 30 10 JFEE C#CCCCn1c(N2CCN(c3ccc(OC)c(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1507599569 QWFRHRCJZKVQJS-XMMPIXPASA-N 457.550 2.818 30 10 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479.585 2.542 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(CC(F)(F)F)C1 1596840551 DTAZJFZIRQOVIE-IRXDYDNUSA-N 460.508 2.997 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1614356565 BOCNQAYSPPEZIM-DYLHXGEVSA-N 496.612 2.665 30 10 JFEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)OC 1614400954 AAFNJCDDXBDXPY-FPOVZHCZSA-N 474.631 2.740 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2sccc2Br)CCOC1 1616260403 CCZZCGBHZILKBK-SCLBCKFNSA-N 468.377 2.531 30 10 JFEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 1617632573 GXGKDNKODFQEOK-FGZHOGPDSA-N 495.628 2.887 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1646394351 XTFJVIQBDIITEP-UHFFFAOYSA-N 458.584 2.857 30 10 JFEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N1CCN(C(=O)OCC)CC1 1651887954 YGRFGOJCLCSTRU-UHFFFAOYSA-N 459.572 2.744 30 10 JFEE Cc1nc2nc(SCC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)nn2c(C)c1C 1652606026 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457.966 2.951 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CSCCS1 1740683943 HIYSTWJMSQTLKR-GOSISDBHSA-N 498.678 3.000 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)c1c(C)noc1C 1740684307 MOHLCNBTUSKFBB-MRXNPFEDSA-N 475.553 2.687 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1740695500 UHIXOILUDWEMSJ-XMMPIXPASA-N 460.630 2.862 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCOCC(F)(F)C(F)F)CC1 1740705779 MOXNOVYRSFBFCW-UHFFFAOYSA-N 461.504 2.750 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1740751692 NSLTVRPMYJHYQX-RBBKRZOGSA-N 492.628 2.771 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1)c1ccccc1 1740855926 PPHZCWHLUAOGEO-VSKRKVRLSA-N 489.642 2.586 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740947082 NVESFPFKFRAIIF-WOJBJXKFSA-N 471.606 2.989 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1740962990 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CC(C)(C)OC(=O)NCC12CC(CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C2 2366058070 QYAKQTKIPNQHEK-UHFFFAOYSA-N 457.380 2.900 30 10 JFEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1N 20805270 UWHXYEQAJVFJQS-LIMNOBDPSA-N 463.518 2.841 30 10 JFEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSc2ncn(-c3ccccc3)n2)CC1 30572780 DMOIXIQTXHHSBB-UHFFFAOYSA-N 461.507 2.828 30 10 JFEE C#CCOC[C@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 169680326 VOHWOUQGTHVQLE-QPPBQGQZSA-N 486.634 2.520 30 10 JFEE C=CCc1cc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc(OC)c1OC 497440382 KOCMDCJSNRHBTR-QHCPKHFHSA-N 463.534 2.524 30 10 JFEE CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)[N@@+]1([O-])Cc2ccccc2C[C@H]1C(=O)O 504333634 JBRUFGGWKYGTOV-QVYLWBBZSA-N 454.523 2.580 30 10 JFEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729668593 ADQOLUREIGWEKR-UHFFFAOYSA-N 471.586 2.704 30 10 JFEE COc1ccc(C=NNc2nc(SCC(=O)N3CCc4ccccc4C3)n[nH]2)cc1OC 1084536091 OZCUGMDWKAPPDJ-UHFFFAOYSA-N 452.540 2.945 30 10 JFEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)n2N)cc1 1084549832 IJXWNMHLTHJMEU-UHFFFAOYSA-N 489.945 2.617 30 10 JFEE C#CCN(CC(=O)Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1)C(=O)OC(C)(C)C 1136669091 PJCDWRZGRPYWLW-UHFFFAOYSA-N 459.524 2.935 30 10 JFEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(C)C 1144198135 VFDNZHDLUFBTCD-KRWDZBQOSA-N 458.422 2.833 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)CC1 1196476849 SPJQDABVRVVVOQ-UHFFFAOYSA-N 453.568 2.640 30 10 JFEE COC(=O)c1cc(F)cc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1F 1210971006 DNBJDOUHEIYDOI-UHFFFAOYSA-N 451.451 2.687 30 10 JFEE C#CCOc1ccc(CNC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)cc1 1251290413 AGXVYCRDQHWHFX-PSWPWZSKSA-N 456.539 2.751 30 10 JFEE COC(=O)COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1269637061 BIFDVKXDWODJBH-QGZVFWFLSA-N 455.898 2.775 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1286336126 GZKNOVGJDTWQTE-UHFFFAOYSA-N 486.979 2.959 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1286339522 WXSDKXGFTYEJII-FQEVSTJZSA-N 450.465 2.869 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286585446 HYYZMSZJDNLZBM-MOPGFXCFSA-N 493.605 2.764 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286587779 GCRSAJDZSMUMSW-OAHLLOKOSA-N 458.473 2.655 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1286592621 NGEZGQFGDZZOKQ-WOJBJXKFSA-N 461.588 2.537 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286605465 XAPXIOGXLGTRAN-UHFFFAOYSA-N 491.434 2.558 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1286605949 BMCGQNDCRLTQBL-UHFFFAOYSA-N 493.612 2.526 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1286608443 QULZXQJPFBMKIM-SQNIBIBYSA-N 453.559 2.973 30 10 JFEE C=C(Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1286619038 MFUBFIAQTXSXSZ-OFNKIYASSA-N 460.600 2.655 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286705774 FGPFMGXYFCYJLV-UHFFFAOYSA-N 466.546 2.768 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1286780518 XGIMJGPGCOKUNI-UHFFFAOYSA-N 479.566 2.993 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286783188 NHIGFAULCPQTJT-UHFFFAOYSA-N 475.597 2.930 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286791377 SCYOVPPEIIIKRE-LJQANCHMSA-N 474.005 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286817177 QSCCBNATUUFAEW-UHFFFAOYSA-N 473.574 2.909 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286822386 CWUWPMGUGBTSMD-LJQANCHMSA-N 466.579 2.848 30 10 JFEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286834204 AMBOYBCWNYJZPD-UHFFFAOYSA-N 489.617 2.991 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)Br)[C@H](C)C1 1286882234 FIYZJGHUWHMKRK-CYBMUJFWSA-N 483.317 2.773 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)C1 1299032233 FDHWBSVHTDSGLE-ROMRWMGNSA-N 452.559 2.506 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300409757 JUSIERIYSVMUCD-IBGZPJMESA-N 479.647 2.819 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300497288 YBYZLQFYSRMJPD-AUSIDOKSSA-N 450.649 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCCC2=O)c1 1300559116 JKHURJBBQQFPOL-AREMUKBSSA-N 461.566 2.568 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(NC(C)=O)cc1 1300578337 BLPGDQAMGTWPJU-UHFFFAOYSA-N 458.522 2.670 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1sccc1Br 1300653137 JMBSGPWVQYKLJL-LJQANCHMSA-N 469.405 2.889 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1300691096 OKHVQVUSIMRRHJ-HSZRJFAPSA-N 454.937 2.796 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1300727413 XBEZWWZARRJMMA-UHFFFAOYSA-N 483.613 2.907 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1300734228 UHNOTDQDYDWDPX-GOSISDBHSA-N 485.017 2.698 30 10 JFEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OCC(N)=O)CC1 1300829511 FYLABGQHLNBHKC-UHFFFAOYSA-N 486.317 2.926 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CCC(N)=O)CC1 1300892240 QUGFXPSBXXNBLC-GCJKJVERSA-N 486.642 2.733 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1300993986 KQHIRMROQFZLND-RUZDIDTESA-N 455.603 2.771 30 10 JFEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301221577 LMBBTKVUKJERHN-UHFFFAOYSA-N 498.632 2.946 30 10 JFEE C=CCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301235015 SZNJJFLVBOQJOI-RUZDIDTESA-N 469.586 2.953 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301586214 FFRVVRHEWBKOHB-IBGZPJMESA-N 486.598 2.554 30 10 JFEE C=CCn1cc(CNS(=O)(=O)c2c(Br)cc(F)cc2Br)nn1 1309602621 CKSMYTQFUFMKMW-UHFFFAOYSA-N 454.119 2.607 30 10 JFEE COC[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315791075 ANNQDXBFPIALBL-IBGZPJMESA-N 492.628 2.997 30 10 JFEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1358906486 JBNPLLKNZOCAMT-XMMPIXPASA-N 469.542 2.805 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358974444 DWNUQVLFWWMHKN-UHFFFAOYSA-N 453.594 2.912 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCN(CC)CC1 1358989021 LXXSAVCSBTVYBB-UHFFFAOYSA-N 454.022 2.874 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCCCC1 1359027394 HWFXZIBDRUDENF-KDURUIRLSA-N 461.607 2.830 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCSC2)CC1 1359039112 XKCBDVIFEAAYTO-RUZDIDTESA-N 469.655 2.778 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2CC2)CC1 1359042180 VSUQNCDTDMSSQK-UHFFFAOYSA-N 459.392 2.812 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 1359086497 YGKQSUJPXMWFGC-UHFFFAOYSA-N 453.410 2.895 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@H](CC)C1 1359103318 MQWQCZCXSGPTQS-ZDXQCDESSA-N 471.650 2.668 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1359158018 BLIXHYLCJXUBDX-UHFFFAOYSA-N 480.660 2.701 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1 1359227944 PYXBEMBHPBZWCU-SFTDATJTSA-N 490.649 2.854 30 10 JFEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359289777 JYWZBGLLUJOJAD-UHFFFAOYSA-N 451.531 2.567 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359302011 UHGRKWNNXABCQF-MRXNPFEDSA-N 490.555 2.895 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1359305246 XHMJVMLQIPVIQY-UHFFFAOYSA-N 476.990 2.605 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359309215 LCUZODHRGBIGJR-PZJWPPBQSA-N 480.613 2.867 30 10 JFEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1 1360169335 ATIXHYXVMOTXTI-UHFFFAOYSA-N 451.575 2.715 30 10 JFEE 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JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCNS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 1589580711 OWRKEQVQUOENJV-CTNGQTDRSA-N 473.643 2.715 30 10 JFEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1593671473 JUFKHXDGHLLKOR-RDPSFJRHSA-N 482.629 2.821 30 10 JFEE C=C(C)Cn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593683542 LMOUUAUXJKCRQH-XLGIIRLISA-N 488.677 2.521 30 10 JFEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1593696838 ZLEDSOHFIWYLPK-UHFFFAOYSA-N 475.977 2.844 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccccc1 1594544269 HWNINZXJBCZUIQ-YPAWHYETSA-N 471.627 2.645 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)F)CC1 1594713571 FWKSORVMMGOGEI-UHFFFAOYSA-N 453.563 2.592 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1595234566 UWDLJKHXTUAWFK-BWKNWUBXSA-N 453.587 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1595760867 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489.620 2.952 30 10 JFEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCS(=O)(=O)C1 1690093525 BMJSVIWACFHTQR-VQTJNVASSA-N 460.600 2.556 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCCCC2=O)CC1 1690126214 VZHGSUOXQZBNEF-UHFFFAOYSA-N 455.006 2.680 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OC)C1 1690237978 DAHITLVQEJAMNH-DYXWJJEUSA-N 460.600 2.945 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)CC1 1690241672 WALKZLAPGWKNMJ-PGRDOPGGSA-N 455.559 2.660 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690255556 SQXJKRCIRWPOEN-OHUGHZGNSA-N 491.633 2.969 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(F)F)cc2)CC1 1690411912 XXNGZNFNWQZNRO-LJQANCHMSA-N 497.568 2.663 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1690627650 PANYTRWMCYFXCO-UHFFFAOYSA-N 470.921 2.994 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)C1 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1722418441 QHWAHJXDENIFKR-SANMLTNESA-N 485.604 2.820 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1722432300 QRYBVWWIMGZZIQ-UHFFFAOYSA-N 471.565 2.580 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)N2CCOCC2)CC1 1722434882 YYOQRKLAZVJVPK-UHFFFAOYSA-N 460.985 2.604 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1722435565 KUAGHTHBNCDOFJ-PMACEKPBSA-N 453.587 2.923 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1722453234 QHMGNMKWXTVYHU-UHFFFAOYSA-N 466.655 2.981 30 10 JFEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722455275 JOTMCXRNBRQVNJ-FQEVSTJZSA-N 466.611 2.641 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722530449 FLZAVODEJAALMB-UHFFFAOYSA-N 453.996 2.709 30 10 JFEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722534467 PTRUDAQUPYZYBJ-IBGZPJMESA-N 451.575 2.604 30 10 JFEE C=CCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722617529 NLGBHCFPNZYRCT-REWPJTCUSA-N 451.619 2.609 30 10 JFEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C(=O)NC)C1 1722624114 TYUSRJMQTJKOOM-FUHWJXTLSA-N 459.616 2.675 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCC(=O)N1CCOCC1 1722658983 NMWPIWCOCOFPQD-UHFFFAOYSA-N 450.518 2.921 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722724721 DKWAJXXZTHQSIT-SJORKVTESA-N 452.650 2.732 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1722730144 JSRMVZOXQOEQKF-HXUWFJFHSA-N 472.590 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)OC)CC1 1722731399 JQHOZJUJZGOBMJ-UHFFFAOYSA-N 478.640 2.869 30 10 JFEE CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1726842083 FNXCJWZJUZPDAO-KBMIEXCESA-N 468.602 2.830 30 10 JFEE CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCOCC1 1727354767 GEIDOTWXJATTOH-HXUWFJFHSA-N 457.600 2.895 30 10 JFEE 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30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCC1 1749735754 WDAOKEVETYQBNB-IBGZPJMESA-N 497.662 2.956 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(COC)CC1 1749736300 HSBCTJJCKZAROE-UHFFFAOYSA-N 450.580 2.862 30 10 JFEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1750880907 CADSLALXOSQLPO-FGZHOGPDSA-N 465.602 2.706 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCCC2)c1 1760098743 WQXGGOKKNRUCMG-DLBZAZTESA-N 472.615 2.523 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760183491 BQKLXKGYRQNQIR-RTBURBONSA-N 458.584 2.540 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760188260 OCJINTANOZYGHB-HKUYNNGSSA-N 479.002 2.531 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760192914 ZOHYMPBJFQLLBE-XZOQPEGZSA-N 499.681 2.975 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1760219637 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472.567 2.591 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588045715 PEJTVQMWOOHXRS-SFTDATJTSA-N 470.643 2.621 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1588214079 HHXRNDYMURAWEY-XMMPIXPASA-N 455.566 2.580 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(C)c2ccccc2)CC1 1588961845 OFWGZTFDRSZIJG-JOCHJYFZSA-N 488.640 2.630 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1589296647 WFVZJAPMMBNQEB-VIFPVBQESA-N 459.197 2.696 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccccc1 1594544265 HWNINZXJBCZUIQ-FSSWDIPSSA-N 471.627 2.645 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](c2ccco2)C1 1595602578 ODHZLHIZNPDGJX-HKUYNNGSSA-N 486.573 2.823 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595759471 FOIHDNQNDJZPPZ-IFMALSPDSA-N 498.653 2.812 30 10 JFEE CCOC1CC(Cn2c(-c3ccccc3OC)nnc2N(C)[C@H](C)CC#N)(N2CCOCC2)C1 1616522507 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30 10 JFEE Cn1ncc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2359277457 SKYGZVHZZRYEDK-VQTJNVASSA-N 450.392 2.598 30 10 JFEE COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2364200461 SWMHLPGRJXDGSO-PEBXRYMYSA-N 481.424 2.587 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1 2365678120 VVRYKJCJJJHEAD-MRXNPFEDSA-N 462.400 2.581 30 10 JFEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(F)c(B3OC(C)(C)C(C)(C)O3)c(F)c2)CCOC1 2366901666 BVBWEEIXQXZZEB-QFIPXVFZSA-N 468.306 2.886 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC[C@H]3CCCO3)c(=O)c2c1 9495290 VQDAQZJZQGXLKP-GOSISDBHSA-N 467.547 2.818 30 10 JFEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)Nc1ccc(Br)cc1 20914464 MTPPORBQWQZTGZ-AWQFTUOYSA-N 462.333 2.637 30 10 JFEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1 170109334 CNPCOWNZPYAYOY-QFIPXVFZSA-N 466.490 2.523 30 10 JFEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OC)c(O)c1 170111039 PLTHBJUKHFPPMR-NRFANRHFSA-N 455.463 2.787 30 10 JFEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccnc1 170356605 KLRTULIVIQRGEM-OAQYLSRUSA-N 495.513 2.529 30 10 JFEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O 170425809 WADXVGHJHAKSDW-NRFANRHFSA-N 456.470 2.900 30 10 JFEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 609116535 RZTGIYPAEWIKJP-VWLOTQADSA-N 463.582 2.811 30 10 JFEE Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3ccc(C#N)cc3F)c12 609228759 IARPKXSADKVNDN-KRWDZBQOSA-N 467.526 2.918 30 10 JFEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CSCc2cc(=O)n3ccsc3n2)CC1 928992156 CEPWJGZFSCYBMQ-DBWCEAHUSA-N 462.597 2.852 30 10 JFEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)c1 1084069389 TZVWSOMMLFCYTG-UHFFFAOYSA-N 471.543 2.585 30 10 JFEE COc1ccc(C=NNc2nc(SCCC(=O)NC(C)(C)C)n[nH]2)cc1OCn1cccn1 1084411475 GARCNFVGYHCNKZ-UHFFFAOYSA-N 472.575 2.889 30 10 JFEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2N)cn1 1084455915 VROJOLCUMPNWGP-UHFFFAOYSA-N 466.358 2.858 30 10 JFEE Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2=O)cc1 1156528330 HEKIBIJOEFMCBC-NQIIRXRSSA-N 450.926 2.790 30 10 JFEE C#CCN(C(=O)NCC1(S(C)(=O)=O)CCC1)[C@@H]1CCOc2ccc(Br)cc21 1227589091 JOMVMSKGFJJJCU-MRXNPFEDSA-N 455.374 2.885 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC2(CS(C)(=O)=O)CC2)c1 1286308187 GDQXKGPPUIUWNM-QGZVFWFLSA-N 457.600 2.673 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286337487 JICNJIATLMKXKX-OAQYLSRUSA-N 461.408 2.761 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286385551 NZCFGJXIKMIRID-YLJYHZDGSA-N 499.568 2.636 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286398712 NAMSETLMNQTCQW-PFAUGDHASA-N 478.659 2.639 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(S(C)(=O)=O)cc1 1286403937 MUHPUGQEYJJQCM-UHFFFAOYSA-N 472.368 2.560 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1occc1C 1286455959 KKFQBMCQCSNUTL-FQEVSTJZSA-N 478.528 2.730 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCSCC=C)CC1 1286478393 BEQSOEDVMWKKNQ-UHFFFAOYSA-N 477.638 2.739 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)CN2CCCC2)CC1 1286491233 JNRZLLIBAGGGCL-OAQYLSRUSA-N 478.641 2.575 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286567544 VXQFOICKAGZGKV-SKPFHBQLSA-N 453.587 2.973 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1286740872 YPQDARYFSNLNNX-QFIPXVFZSA-N 480.613 2.860 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1286763944 ZZOBABUNUDREIM-UHFFFAOYSA-N 476.990 2.857 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286778641 CKQZZIPFWCJQRZ-WWNPGLIZSA-N 466.630 2.669 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(OC)c(OC)c3CC2)nnc1C(C)(C)C 1286792684 FIAFQJPCHANOTP-UHFFFAOYSA-N 457.575 2.509 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286817697 WNPHGDKSJHPISQ-SFHVURJKSA-N 489.642 2.686 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CCOC1 1296603927 ASSHVVVBPYVBAB-MQNAVGNWSA-N 478.569 2.772 30 10 JFEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1c(F)cccc1F 1298025761 FXPDDXAXCISYPI-FXAWDEMLSA-N 492.596 2.891 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCCCC2)c1 1300330961 FHIDZEQCUNQLNR-OAQYLSRUSA-N 491.640 2.692 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCCC(C)(C)C2)c1 1300334292 LAJZDPPPCIVQPT-OAQYLSRUSA-N 464.614 2.960 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300483298 KKRZLJHTWROPHJ-BQFCYCMXSA-N 462.641 2.793 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1300484900 SGZKIOWHICMOFT-ZDUSSCGKSA-N 457.419 2.901 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1300504055 JDZWTAVRIYLECS-HSZRJFAPSA-N 480.638 2.572 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)Cc1cccc(F)c1 1300561812 UEUBUZRBXGHEGJ-UHFFFAOYSA-N 497.372 2.997 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1Cc1nnnn1CC1CC1 1300563425 IVVAFXXZIVLLLV-UHFFFAOYSA-N 465.359 2.615 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncnn1C(C)(C)C 1300598035 ZHFFBTJFBVLKJE-UHFFFAOYSA-N 454.966 2.716 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2snnc2C)CC1 1300693482 ZIIBYMYQJOIBHS-UHFFFAOYSA-N 458.389 2.671 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[S@@](=O)CC)CC1 1300730757 FGMLJTOVMIYFKK-YTTGMZPUSA-N 473.668 2.613 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCNc2ncc(Cl)cc2Cl)CC1 1300731817 WEZNDTNSWAZDGS-UHFFFAOYSA-N 480.400 2.594 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300733089 HQMQCXSGSLQLIO-MRXNPFEDSA-N 468.558 2.580 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300892193 QFNXSWZCNJFOJX-XUZZJYLKSA-N 487.670 2.953 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301019438 KYOXZRKXYNPQLB-KDOFPFPSSA-N 453.996 2.809 30 10 JFEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301209360 RETRWHIWYWVOPE-UHFFFAOYSA-N 465.558 2.977 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1301289322 AJUBJTHULMYHAE-UHFFFAOYSA-N 470.599 2.683 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301414411 BWZGLCBNBIVNSK-MRXNPFEDSA-N 453.996 2.519 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@@H](COC)C1 1301499681 DOUARCNVYCKWLT-WOJBJXKFSA-N 490.649 2.948 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cc1 1301520559 IQLGPZUYYNSHJZ-UHFFFAOYSA-N 468.602 2.724 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[S@](=O)C(C)(C)C)C1 1301555103 SLIDWIPFAMKSQQ-INDDNBPWSA-N 484.626 2.521 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1301578322 XETSSJNFHZHWJY-UHFFFAOYSA-N 459.616 2.629 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1301578404 ZYFZZWMSNVPFNT-HXUWFJFHSA-N 496.637 2.837 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301587645 WQMXSIUETFMYTP-UHFFFAOYSA-N 496.062 2.926 30 10 JFEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccnc2OCC(F)(F)F)CCOC1 1314080014 DAQNHZVSOPJVLD-QRWLVFNGSA-N 468.480 2.910 30 10 JFEE COc1cc(OC)cc(N2C[C@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)CC2=O)c1 1350521583 CKQNYSZWEYBDSG-HXUWFJFHSA-N 450.539 2.519 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CC)c1 1358902282 JQYGUVXIBHJRJH-GOSISDBHSA-N 457.600 2.673 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 1358961385 XQHJILSWFGWOQB-SFHVURJKSA-N 470.624 2.789 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1358976393 CHEVCZNCFAZCJE-UUWRZZSWSA-N 476.606 2.610 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCc1cnc2c(Cl)cnn2c1 1359019806 HFEIIQKLLRJFPH-UHFFFAOYSA-N 465.945 2.979 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1359024356 LJIWZRXXJXXAHX-OAHLLOKOSA-N 464.469 2.637 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1359041720 FYGYIYKELXJDBE-NQIIRXRSSA-N 451.571 2.592 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1359042371 CUXJQUYTTAUQOX-UHFFFAOYSA-N 499.619 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCSC)CC1 1359043772 HWTGATQVKPFEKD-UHFFFAOYSA-N 463.611 2.850 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NC(=O)CC)C1 1359052763 PFAPFFPWQJETRA-KRWDZBQOSA-N 457.600 2.824 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1359089479 JWHVAOALQHPAKT-HUUCEWRRSA-N 463.442 2.976 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cscn2)CC1 1359089780 OXEIIRVSXXLXIH-WIYYLYMNSA-N 487.674 2.956 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359137148 GMHHZXDGVQPMAU-YUMYIRISSA-N 461.651 2.946 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1359189878 XNSDKXBYRMADNQ-CVEARBPZSA-N 451.618 2.817 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1359191086 MZBFJHPVLZXDGO-UHFFFAOYSA-N 494.640 2.903 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CC=CCC1 1359254088 DVBFOHXATZKXQY-UHFFFAOYSA-N 450.587 2.977 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359296691 QTQVLADRHCECFD-BCHFMIIMSA-N 499.612 2.819 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359303163 GFIJAZODKODTSB-NRFANRHFSA-N 463.586 2.621 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359339355 BTVDXJJFXXCIPM-HNNXBMFYSA-N 452.602 2.505 30 10 JFEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)C(=O)OC 1448493193 HIKJGFAMQOBXMW-LAUBAEHRSA-N 454.523 2.561 30 10 JFEE C#CCN1CCC(C(=O)N(CCN2CCOCC2)Cc2sccc2Br)CC1 1460639978 HFXZZJRJVRUUOV-UHFFFAOYSA-N 454.434 2.517 30 10 JFEE 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2.515 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(F)c(F)c2F)CC1 1507739299 FDVQNBIIRHRLTQ-UHFFFAOYSA-N 482.510 2.890 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507748814 UPPUQTYCMAFALZ-UHFFFAOYSA-N 455.584 2.735 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1507755278 DJNNMGIIRPDUPC-NRFANRHFSA-N 450.616 2.755 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507756048 FLJMGWODTUBILO-GOSISDBHSA-N 458.519 2.632 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507756188 LHQYHCYTWKXZSG-UHFFFAOYSA-N 481.601 2.890 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507788916 RFGXLQYHTJIIPG-KRWDZBQOSA-N 453.366 2.573 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1507811548 SAEUGWUUIZNNEH-GBXCKJPGSA-N 468.602 2.557 30 10 JFEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1508089113 VOGKPDYQVLKSAT-ROUUACIJSA-N 465.558 2.536 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](c3ccnn3C)C2)cc1 1508096368 GKEAVKYGKLHQJU-QUCCMNQESA-N 499.641 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1508134336 RPHCNBFHCOBDNB-FQEVSTJZSA-N 480.034 2.500 30 10 JFEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508156472 YXOKTSWSDMLIMF-LJQANCHMSA-N 458.613 2.673 30 10 JFEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1512134005 GXKANRNOTGOIPJ-OFNKIYASSA-N 479.629 2.622 30 10 JFEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1517561015 FZAUMJCFYUJWDO-QFIPXVFZSA-N 491.596 2.754 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1539043885 VVXLAMCRHHQDOK-UPVQGACJSA-N 494.640 2.585 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1539204703 CDKYBZKYVVHIFD-CKHPTIKVSA-N 472.611 2.786 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539223260 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JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282845067 MOMWLAMYNDWQFV-ZWKOTPCHSA-N 480.436 2.566 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2283063062 VIFKIAJEKQTJOE-OAHLLOKOSA-N 460.384 2.684 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2283976721 HMPOCXLGBLHMRQ-HOTGVXAUSA-N 480.436 2.936 30 10 JFEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1nn[nH]c1NC(=O)OC(C)(C)C 2283991500 RSVQUINOVMMVDO-UHFFFAOYSA-N 459.312 2.712 30 10 JFEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284045639 PKFBCYGKEDLFNF-NPMXOYFQSA-N 480.436 2.939 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]12 2284066084 PGVGEJHPQAOZIH-IPMKNSEASA-N 458.364 2.867 30 10 JFEE CN(Cc1ccccc1)C[C@H](NC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284470585 DDQXTKURGBTMST-IBGZPJMESA-N 472.778 2.954 30 10 JFEE CC1(C)OB(c2cccc(F)c2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2286120676 MXLVTPPSHDAFQI-ZDUSSCGKSA-N 458.261 2.798 30 10 JFEE CN(C[C@@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1)C(=O)OC(C)(C)C 2286312256 HVWOZFRMCQOPGU-QHCPKHFHSA-N 480.436 2.881 30 10 JFEE CC(C)(C)OC(=O)N(CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCOC1 2288167077 GEMZBRPAXIWHAK-LJQANCHMSA-N 460.380 2.628 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](OCCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2289962348 YPJLTEFMFCTLNJ-INIZCTEOSA-N 464.368 2.725 30 10 JFEE CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)C(=CC(=O)c2cccc(OC)c2)N3)CC1 2297341537 GTHCSWVPGSRFQW-UHFFFAOYSA-N 491.592 2.583 30 10 JFEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1 2297743057 BAQQYSCXIVPTNJ-HSZRJFAPSA-N 465.550 2.897 30 10 JFEE CC(C)(C)OC(=O)NC1([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCCCC1 2318908239 OAALQAHBKLSCOT-ZWKOTPCHSA-N 451.612 2.986 30 10 JFEE COc1cc(Br)cc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)c1OC 2323435571 NGXPSMOUDHIPKL-UHFFFAOYSA-N 456.274 2.626 30 10 JFEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc(N(C)C)cc3)CC2=O)cc1 2325882397 WUAHFRDCGWSKHL-GOSISDBHSA-N 480.594 2.840 30 10 JFEE COc1ccc(OC)c(/C=C2/Oc3cc(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc3C2=O)c1 33490819 LPBMSRNBXFWFNE-IOKRJLGCSA-N 455.463 2.924 30 10 JFEE N#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CCC4)n2)C(=O)CO3)c1 46145619 LEJOCDPQAZRVRC-UHFFFAOYSA-N 465.491 2.935 30 10 JFEE COc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cc1OC 58995520 XHTWLYDICSLRRE-SSDVNMTOSA-N 470.511 2.770 30 10 JFEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C(/C)c3ccc(OC)c(OC)c3)n2)s1 59016154 FCANAZGOYPBWAY-FBHDLOMBSA-N 462.561 2.803 30 10 JFEE N#C[C@@H](C(N)=O)[C@H](c1ccc(Br)cc1)c1c(-c2ccccc2)nn(C(N)=S)c1O 59461816 GNBWPAPYVIEQEX-CABCVRRESA-N 470.352 2.867 30 10 JFEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NCCc1ccccc1 253562293 DCNIPFRRQKCLHU-SRZZPIQSSA-N 470.471 2.518 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 521715007 PFZBISYKGQHTMN-UHFFFAOYSA-N 490.538 2.844 30 10 JFEE C[C@H](O)[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757405310 ZQJOEBQHMAPEJU-IRBZQWRBSA-N 479.533 2.928 30 10 JFEE O=C(O)C#CCNC(=O)[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F 757536802 IFYUSRPGVKZZBS-IBGZPJMESA-N 460.408 2.908 30 10 JFEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1N 1083993894 UWHXYEQAJVFJQS-UHFFFAOYSA-N 463.518 2.841 30 10 JFEE C#CCOc1ccc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 1129015786 JVOQQNAFBZTUIO-UHFFFAOYSA-N 458.444 2.688 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286338044 DCOZGJAKLBTIHA-UHFFFAOYSA-N 461.526 2.511 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286340337 XSBUWIDXZBYMGH-UHFFFAOYSA-N 483.638 2.991 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1286378482 UEAHMNGONSZPHO-IBGZPJMESA-N 451.493 2.806 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286389224 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1286592291 WXNQNPAAAMXLCD-SFHVURJKSA-N 463.586 2.992 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286623306 FLCLKDYQDJXASP-SCLBCKFNSA-N 496.841 2.777 30 10 JFEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1286650686 WHZGOEHPMIQFBC-HKUYNNGSSA-N 481.644 2.507 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1286699915 IIXFZJINOKVKDB-IPMKNSEASA-N 451.637 2.668 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286780440 TXBFMSTZHFGALL-UHFFFAOYSA-N 492.527 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1286815886 BRXZXEKHWCJGDU-NRFANRHFSA-N 494.625 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286820621 OKXKMEZIICUIKE-UHFFFAOYSA-N 477.606 2.569 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1300308504 CJWVQUHLLOFVIV-CABCVRRESA-N 465.505 2.684 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300485179 YBJYMCWQPUDDIW-MBSDFSHPSA-N 486.619 2.550 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300487646 KRDYXDOOQJDHAG-DHIUTWEWSA-N 478.622 2.578 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300496767 UZTMKUTXKBEKFK-CZYKHXBRSA-N 491.702 2.903 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCCCO1 1300538967 WHDPYXLUQCOQNE-PMACEKPBSA-N 457.575 2.619 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccccc1F 1300657211 HAMCJPVQMNFJLA-UHFFFAOYSA-N 470.574 2.820 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)NC)CC1 1300742765 UNKOTLFRKZNZSJ-UHFFFAOYSA-N 469.434 2.597 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCOCCS(C)(=O)=O 1300801659 UBRNCNNHHTYKTF-HSZRJFAPSA-N 469.567 2.653 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1300839004 BGWSUTUXAGJEHK-UHFFFAOYSA-N 474.338 2.575 30 10 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C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1301970108 CTUBWTLHLQPHKQ-QGZVFWFLSA-N 450.522 2.564 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1303761848 GFHPJMYSOFNKJV-VGOFRKELSA-N 462.957 2.921 30 10 JFEE C[C@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCO1 1304932690 HQVOUGZJKUAIDU-OALUTQOASA-N 487.626 2.947 30 10 JFEE CCn1nc(-c2nnc(N(CCC#N)CCOC)n2C[C@@H]2CCCCO2)c2ccccc2c1=O 1313962050 CXGADEHIMKQMAW-SFHVURJKSA-N 465.558 2.610 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCN(CCC)C1 1358895074 CDHNTYUVIVZPQJ-BJKOFHAPSA-N 463.674 2.833 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1358932154 ADBFWNGBDUBJMX-GOSISDBHSA-N 460.604 2.777 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358966356 NHTSJELMVRUVLL-NRFANRHFSA-N 482.654 2.707 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(N2CCOCC2)CC1 1358972620 LPUSQSLNHLPDAT-UHFFFAOYSA-N 468.399 2.954 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1noc(CC)n1 1358978978 ZNCSTYGLXXGWSH-UHFFFAOYSA-N 467.574 2.654 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC(C)C)c1ccccc1OC 1358994939 ZOEIATJQVBOUPE-OFNKIYASSA-N 484.622 2.818 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358998087 PQOPUSOLHWBIOU-UHFFFAOYSA-N 488.592 2.883 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCN(CC)CC1 1358998432 FBVPYAJJXQCBJD-DHIUTWEWSA-N 454.663 2.687 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(OC(C)C)nc1 1359023451 KZIXTQLSBVGTGW-UHFFFAOYSA-N 473.537 2.910 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccn(C)n2)CC1 1359047973 ZZLILCJGFQYPMP-UHFFFAOYSA-N 463.611 2.626 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359119742 LUVFQFJAFAGMPU-UHFFFAOYSA-N 498.628 2.882 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1359121724 GAUUZUVYCDCJGV-MOPGFXCFSA-N 451.637 2.669 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1359158838 GJEZXMPHISQMPP-INIZCTEOSA-N 478.585 2.709 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)C2CC2)CC1 1359182571 LPFHBDFMRJGOOW-KDURUIRLSA-N 458.607 2.977 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OCC)CC1 1359201466 OZSSGCPRFKSWPJ-UHFFFAOYSA-N 475.619 2.873 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359227954 QDIJWZWEEUTJFT-UHFFFAOYSA-N 496.566 2.980 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359287641 OWXRSHMNZNLAER-HOTGVXAUSA-N 474.528 2.845 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSC(CC)(CC)C1 1359301238 VKFBXTVWUOFBQQ-UHFFFAOYSA-N 484.674 2.866 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)C1 1359325883 OQAIJOQWUXOVNS-ROUUACIJSA-N 483.635 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359328175 WETSXBCKYCWLDW-MRXNPFEDSA-N 498.447 2.768 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H](c3ccccc3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359335267 GSFDVUACKMKSLR-LEEZEASISA-N 474.627 2.913 30 10 JFEE C#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)[C@H]1CCCO1 1448020597 LFEPBBFHFQMZBA-WOJBJXKFSA-N 456.520 2.559 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1-c1ccco1 1459771109 AWKFUHYMAVQURW-KRWDZBQOSA-N 458.588 2.811 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 1469884184 IUCMNUKUMQXJDV-HXUWFJFHSA-N 451.493 2.996 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNc1ncc(Cl)cc1Cl 1497086028 ICWRFWQHVFSNBD-HNNXBMFYSA-N 481.388 2.739 30 10 JFEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CCN1CCOC 1499680487 GZXPHZYPAQSWBU-VTLMBFNKSA-N 472.659 2.911 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCN(C(=O)OC)CC1 1507603997 VTVXVFWIRUBBSO-UHFFFAOYSA-N 457.531 2.519 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 1507623182 PMMIUMHBKBVENA-WIYYLYMNSA-N 469.611 2.593 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1507631318 CRUQRNGSLFNKHP-UGKGYDQZSA-N 463.003 2.733 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507698013 IBWOASZATRKAQA-PMACEKPBSA-N 469.540 2.802 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C2CC(C(C)(C)C)C2)CC1 1507735516 BMCUFAGUULVSLO-FGJIOPLASA-N 457.619 2.893 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C)c2)CC1 1507736220 MLQKJWIMCZTDDO-MHZLTWQESA-N 479.625 2.836 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1507740633 OLWAWQGYVPJPIX-WIOPSUGQSA-N 479.625 2.927 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1507781654 FIKFZOUOBMOIIY-SFHVURJKSA-N 487.402 2.845 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1 1507797073 OFYSJFUDVYTDFG-QFBILLFUSA-N 479.423 2.785 30 10 JFEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507833476 VXHQIISBUPTRPX-SFHVURJKSA-N 450.547 2.582 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1507868075 FDLZHRLLJZAJED-IBGZPJMESA-N 458.994 2.912 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 1507927968 GWDVDSQRDGLZGW-PBASOCQRSA-N 477.606 2.765 30 10 JFEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507945179 DBPFMUOXYJSFRO-QGZVFWFLSA-N 470.599 2.655 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1507957709 JTIFXNUUCVHXTD-IAGOWNOFSA-N 477.407 2.886 30 10 JFEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1508057579 BOPCKTNDABPDDH-UHFFFAOYSA-N 493.612 2.526 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(Br)cc1 1508091403 LJEKMQCELYXSNC-UHFFFAOYSA-N 472.391 2.841 30 10 JFEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1508704175 HEJMREYPUWFWGA-AUSOSSAASA-N 470.643 2.665 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)[C@H](C)C1=O 1509420844 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C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1540901516 GHHFUPXCZILZHC-INIZCTEOSA-N 487.582 2.813 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 1542785966 UQPFJIKITIYCJJ-INIZCTEOSA-N 453.923 2.954 30 10 JFEE CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1(C)C 1548033957 GLLJSVBJDCSGDJ-WOJBJXKFSA-N 454.575 2.847 30 10 JFEE COCC(=O)N1C[C@H](C(=O)N2CCCC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376036 GOPJLSOCZLAHLO-HXUWFJFHSA-N 478.515 2.891 30 10 JFEE CO[C@@H](C)c1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)cs1 1554587238 AQONHMBZGSQVAB-KRWDZBQOSA-N 495.609 3.000 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1555555052 IBVIHGVZNCWHIH-OAHLLOKOSA-N 482.404 2.509 30 10 JFEE C=CCOC[C@@H](NC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)C(=O)OC 1556375689 PMFFDEDNWCESLE-QGZVFWFLSA-N 458.324 2.788 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)NC(C)C 1587599448 NMGWZMNERZTULR-CQSZACIVSA-N 484.420 2.502 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1587723149 AOSSBDRGPFXIPD-UHFFFAOYSA-N 456.978 2.872 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1588481770 LBBKMRAMXRKQBY-IBGZPJMESA-N 470.549 2.875 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1589109689 IYAGNTBDRYXOGF-AUMHUTNHSA-N 459.641 2.702 30 10 JFEE C=C(Br)Cn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589460742 VGJRUJXLHOBSBU-OAQYLSRUSA-N 482.423 2.722 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1594461932 ZLCKHZRFUUVLLS-SFHVURJKSA-N 459.616 2.913 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594628126 ZDCDSCKCXHUPFK-ROUUACIJSA-N 462.595 2.610 30 10 JFEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1594819441 CPIDHUXYOWVRCR-HSZRJFAPSA-N 466.630 2.513 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595556136 OXPOWPLPJOYCRM-UHFFFAOYSA-N 468.602 2.973 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1595754097 LDMZDYVGLDEYCB-HXUWFJFHSA-N 457.600 2.765 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1595871347 OPOIQKPFGUJAGH-UHFFFAOYSA-N 453.572 2.572 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595896022 SVWBTISZORFAKZ-UHFFFAOYSA-N 460.648 2.549 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3([C@H](C)CCO)CCC3)nnc12 1611094442 AUKTVIYBLMAAPE-MRXNPFEDSA-N 455.584 2.627 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCO[C@H]1C(C)C 1613585475 HCYVGBCZLKNLRL-OFNKIYASSA-N 494.644 2.851 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nncn1Cc1ccccc1 1634086487 FPMZAUPRLLRNPT-GOSISDBHSA-N 452.540 2.562 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c1 1635936544 PJOWKLHWJIJYRE-QFIPXVFZSA-N 456.564 2.978 30 10 JFEE Cc1nc2nc(SCC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)nn2c(C)c1C 1652606025 ALIOMWDTAJISBU-IBGZPJMESA-N 453.547 2.690 30 10 JFEE CCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(Br)c(C#N)c1 1659179695 FYTIGCFPKAZCGB-UHFFFAOYSA-N 452.330 2.979 30 10 JFEE C=CCC[C@@H]1CCCN1C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1679492092 LAJFSTLGMUNDEZ-GOSISDBHSA-N 451.589 2.997 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(F)c1 1689846625 LNZXIYAYVMJSIB-OAHLLOKOSA-N 456.547 2.892 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1689893347 XVZUNNFSXLXRBD-PXNSSMCTSA-N 475.590 2.677 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCC(C)CC1 1690036843 DCXIHTPYYFFNDT-OAQYLSRUSA-N 467.639 2.932 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cn(C2COC2)nn1 1690038615 WYVCXXYTMJKXCQ-UHFFFAOYSA-N 456.337 2.926 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2cnc(C)s2)n1 1690109111 HFYSKQHKXFETPB-UHFFFAOYSA-N 462.583 2.944 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690146334 LOPFIVYWLOZPAI-FUPPJEDESA-N 470.662 2.854 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2c(CC)nn(C)c2CC)CC1 1690150734 SHQUUSDELYBENA-UHFFFAOYSA-N 487.652 2.936 30 10 JFEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690167987 SIBDXLJDDLIZRG-UHFFFAOYSA-N 450.543 2.808 30 10 JFEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690305462 AKXGQQHEXBDALP-UHFFFAOYSA-N 470.599 2.604 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690432427 DIAWONTVGLVRIU-FCHUYYIVSA-N 487.670 2.638 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690503524 DQDFVOCZKSHCQG-UHFFFAOYSA-N 455.950 2.778 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1690565264 FNSUQVSWTARIRJ-NHCUHLMSSA-N 489.642 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1690725201 IJMZRRIEPAFZFQ-QGZVFWFLSA-N 469.405 2.782 30 10 JFEE Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)CC2)no1 1692954598 IBBNTHMJACKEOB-UHFFFAOYSA-N 463.542 2.937 30 10 JFEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)(C)C 1697143402 CAGKNUYWKKGADX-HXUWFJFHSA-N 471.581 2.815 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cccs2)ccc1OC(C)C 1697259378 CKVGQNOOEJFVPE-SFHVURJKSA-N 496.593 2.961 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1705560668 JEAXGRHNGUNCCR-MOPGFXCFSA-N 492.667 2.564 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1705562425 BURCSTJNJXYZKL-IBGZPJMESA-N 458.584 2.945 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CCC(C)C)CC1 1705580482 JZIHZMWUKVOXMI-UHFFFAOYSA-N 450.587 2.837 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1705598181 CURQZSAYOOCWCM-AWEZNQCLSA-N 467.414 2.515 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOc2ccccc2Cl)CC1 1705648885 BMLBBTJQIJOAPQ-UHFFFAOYSA-N 466.973 2.982 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1705694478 RHKBSQCJQBVCLU-MMOPVJDHSA-N 487.004 2.510 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705704646 XSHPVXHFIWTACE-FYYLOGMGSA-N 452.603 2.573 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC(=O)N1CCOCC1 1705708906 IMNCSMKHMLLCLG-PXDATVDWSA-N 483.613 2.696 30 10 JFEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705727380 AAFYFYZAOYQNGH-UHFFFAOYSA-N 482.629 2.966 30 10 JFEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1705771188 KKNZNPCLJWBEBZ-UHFFFAOYSA-N 454.600 2.942 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(C)nn(C)c2C)CC1 1705778536 ZIVLATWMXUMLJX-UHFFFAOYSA-N 483.642 2.996 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705825895 GWFKSNQKVURYOK-UHFFFAOYSA-N 470.965 2.711 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1705841190 RAVJMRUGFOSKRZ-UHFFFAOYSA-N 452.559 2.788 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1705900371 AFZNNKKZCFLUKZ-UHFFFAOYSA-N 465.989 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1scnc1C 1705932365 CTNBLNOMLXEPIF-UHFFFAOYSA-N 475.596 2.718 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Cl)cn1 1706746458 BDTWDJVBEGKTTH-MRXNPFEDSA-N 454.970 2.741 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(=O)N(C)C)cc1 1722298769 IPEYJTCVUUMMTJ-INIZCTEOSA-N 465.583 2.869 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1722301024 UNAWWRDQNGYMHJ-MRXNPFEDSA-N 473.624 2.684 30 10 JFEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722320524 AOBBNEOUQOCVAS-UHFFFAOYSA-N 463.579 2.660 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722368606 TYULYBXKWOAIFY-DHIUTWEWSA-N 499.681 2.567 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC(C)C 1722423145 XFEUSDFSHRGBLL-UHFFFAOYSA-N 468.558 2.573 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1722431861 SXUYXPYVKZBFBL-CJFMBICVSA-N 471.577 2.681 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(OC)C2CC2)CC1 1722436826 LNRFHQPVEOSBME-FQRUVTKNSA-N 486.661 2.963 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@](=O)C(C)(C)C)CC1 1722443009 MIZJHYZPMXDQLD-YTTGMZPUSA-N 477.034 2.507 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](OC)C(C)(C)C)CC1 1722443311 QXNRWVPGMZVVAE-QFIPXVFZSA-N 483.613 2.989 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCOC)cc2)CC1 1722447206 JFEJCNRDZUCXHD-UHFFFAOYSA-N 467.614 2.906 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1nccs1 1722454796 NIKSGDVYDWXSRC-UHFFFAOYSA-N 461.638 2.850 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1722476440 VMVOLXOHHZYCJV-NIYFSFCBSA-N 462.598 2.969 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1722506424 UTTRIVQGZZDBLS-GJZUVCINSA-N 496.656 2.713 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCc1cccc(F)c1)C1CC1 1722554808 HSJYCMZUBPZVID-IBGZPJMESA-N 483.997 2.714 30 10 JFEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722687612 QSZGXYNJTOZHKD-HSZRJFAPSA-N 479.673 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722727599 NBQUPGXSYKDRLP-GOSISDBHSA-N 483.516 2.805 30 10 JFEE CN(C)C1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCC1 1729327926 AYMFZWUVBGIOST-MSOLQXFVSA-N 459.595 2.563 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccsc1)N(C)C 1740607551 VRKFJLSVZQMQLL-SFHVURJKSA-N 457.629 2.672 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2nsnc2c1 1740610867 NQAXSGZNLQSZLT-GOSISDBHSA-N 469.571 2.709 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740623159 PHCWJQCMISFHQB-ACRUOGEOSA-N 477.675 2.657 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740627655 RSFQTPCUMUEDDJ-LEWJYISDSA-N 461.607 2.545 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)CN1CCOCC1 1740649069 NEKDADMOKICIAY-SFTDATJTSA-N 453.562 2.988 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1740652243 ULCINQYAUBVLBG-XMMPIXPASA-N 454.578 2.808 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCO[C@@H](C)C1 1740652761 MBZQGTWJEMHOSQ-VQTJNVASSA-N 458.566 2.860 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740761489 XCKMZLIWUHRCIN-VWPQPMDRSA-N 454.575 2.960 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740773826 FBAXJESSGKAWSL-OALUTQOASA-N 457.600 2.636 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740861898 CVBXHWQLWGPUSA-ZWKOTPCHSA-N 452.559 2.788 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C 1740928021 ZOTDDPMIJGEBPL-WIOPSUGQSA-N 486.686 2.997 30 10 JFEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740943385 JNUXYAMKWMUHMQ-SFTDATJTSA-N 452.603 2.964 30 10 JFEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1748319238 HEPGZMDOCORXBU-QHCPKHFHSA-N 454.600 2.643 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748638284 MARDAZTVKDXSQX-RBBKRZOGSA-N 479.629 2.548 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748641140 DLEXTBPOIGUQGM-IRFCIJBXSA-N 470.593 2.958 30 10 JFEE COc1ccc(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)cc1 1748797489 AQHDEEYRNJCIDZ-INIZCTEOSA-N 453.572 2.891 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1748805757 VRIORIXFYCCYNY-RIVXBTQJSA-N 450.511 2.714 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748809749 POOMIXONEQDRAY-UYAOXDASSA-N 491.061 2.741 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)c1cccs1 1748828485 FFSAICONPMOLDX-UHFFFAOYSA-N 455.547 2.900 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1csc(C)n1 1748843057 ZDBYSMFETJFZGR-UHFFFAOYSA-N 457.563 2.755 30 10 JFEE 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C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1c(C)sc(C)c1Br 1690092459 JEPDTYUZGJIKIY-UHFFFAOYSA-N 468.421 2.991 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCC[C@H]2CC)CC1 1690115132 TZVOZPCELJYYIH-OAQYLSRUSA-N 451.575 2.873 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1690131988 CERJZNWYPFTGEJ-QFIPXVFZSA-N 496.660 2.542 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCN(CC)CC1 1690200135 MGNHRXASXPXIHR-AREMUKBSSA-N 466.630 2.982 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1690206006 DZNSLZVLADHOMJ-NFBKMPQASA-N 489.667 2.514 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1690305525 BUROWBNJYXTHOC-UHFFFAOYSA-N 465.606 2.824 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1690310237 YDJAAKVIRVPSGS-DENIHFKCSA-N 468.602 2.714 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690316738 KZVUANVYSNHUIG-NFBKMPQASA-N 486.686 2.902 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1690419394 QQLMRWHOXHDTNN-UHFFFAOYSA-N 488.658 2.920 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1690609689 XGWWVTHKHHJLED-HBFSDRIKSA-N 481.594 2.577 30 10 JFEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1690634720 PPUBTLFZNIBERQ-UHFFFAOYSA-N 465.562 2.848 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1690714226 HTTOCSMTVCLXTN-UHFFFAOYSA-N 481.003 2.878 30 10 JFEE Cc1cccc(C)c1NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1693172836 ICGJTBGMIHNJTI-HSZRJFAPSA-N 481.557 2.967 30 10 JFEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)NC(=O)OC(C)(C)C 1694262486 CQPMSXUBXSPSNY-UHFFFAOYSA-N 467.574 2.836 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C[C@H](C)O1 1694966466 CAQWNUBQKZANSR-PZJWPPBQSA-N 468.602 2.843 30 10 JFEE Cn1ccc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(CC#N)CC2)n1 1696862216 IEOODHJJQUAKCJ-UHFFFAOYSA-N 466.977 2.968 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)SC)c1 1705505517 PKSOENYOHNFMLF-OAHLLOKOSA-N 466.567 2.814 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559633 ABCPSHAELILENZ-VGOFRKELSA-N 482.553 2.580 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705567077 SYZWBYSRPNZTCV-NJYVYQBISA-N 465.664 2.513 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705568600 RFQUOYYWLOVSPY-SFHVURJKSA-N 489.985 2.790 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(CC)CC)N1CCOCC1 1705611202 SXASGMPOMXWDPG-QHCPKHFHSA-N 491.640 2.789 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1705623321 NPGBNRIWKDDTIC-CPJSRVTESA-N 487.670 2.945 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705655048 BTQJISFIBPMKHN-OAQYLSRUSA-N 490.427 2.799 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCSCC1 1705659402 VAYXGLZJUJKONI-UHFFFAOYSA-N 454.625 2.985 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1705704800 ZISVNDGOLSLTMB-SJLPKXTDSA-N 451.497 2.791 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cccnn2)CC1 1705890367 LVOQJGNQDOHCMF-GOSISDBHSA-N 454.579 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705895429 GYRHJGBTRMUTSS-LJQANCHMSA-N 499.413 2.796 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(OC(C)C)CC1 1705901676 SROVGRNHEODQOZ-UHFFFAOYSA-N 493.612 2.761 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1705926404 CRPRTMMXWZYBKC-HXUWFJFHSA-N 454.575 2.912 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1709895329 ACNAFOUTHWWZSC-VQIMIIECSA-N 467.574 2.774 30 10 JFEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1711294165 ACZVNRKXFJQHML-UHFFFAOYSA-N 497.600 2.558 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722358876 NCCQYOIETICGDO-OAHLLOKOSA-N 456.490 2.817 30 10 JFEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1722371948 ZRABZIKONFWVFI-VXARMHRZSA-N 477.631 2.642 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCOCC2)nc1 1722393760 JLIFAOGAODXNRT-UHFFFAOYSA-N 456.550 2.697 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1722398187 RRZVUVVPDAFRRQ-GOSISDBHSA-N 455.946 2.801 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC1(C(N)=O)CCOCC1 1722421835 OIJJFVZRHZECPR-UHFFFAOYSA-N 462.529 2.710 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722462625 OYKOBQXDNOTJIN-UHFFFAOYSA-N 488.683 2.719 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)C1 1722486331 VXQRNCXUGOAZBO-UHFFFAOYSA-N 455.154 2.895 30 10 JFEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1722525053 IJZHDOGPQBUNTH-UHFFFAOYSA-N 450.587 2.818 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722537424 ALVIHBSARFKUCV-XMMPIXPASA-N 459.566 2.989 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN2CCOC2=O)CC1 1722582200 MLTMGSFPQCPLNI-IBGZPJMESA-N 490.605 2.831 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)C)CC1 1722694120 MBVMKLQRZLBOHN-UHFFFAOYSA-N 461.408 2.849 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722700693 QTSXAINGLSWQOU-UHFFFAOYSA-N 480.638 2.818 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1722726294 BJAXEQYKABULDH-PXNSSMCTSA-N 496.655 2.721 30 10 JFEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1723185918 DDAYXUXKDIGXAT-XIFFEERXSA-N 463.611 2.922 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1723990140 GJNIKSTVLHHTGC-WIYYLYMNSA-N 488.036 2.826 30 10 JFEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1727415643 CNADGRDQVUVZHO-JTSKRJEESA-N 461.563 2.686 30 10 JFEE CCN(CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1728516954 DKUHUUZGHIFMJP-OALUTQOASA-N 461.611 2.809 30 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JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2oc(CC)nc2C)CC1 1740692213 GIJPRXYWESRACS-UHFFFAOYSA-N 458.364 2.698 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](COC)OC)CC1 1740701653 NWKQCTPFEVZPKA-HXUWFJFHSA-N 485.654 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2ccccc2C)CC1 1740705002 AHORHHRUOSFGJY-IRLDBZIGSA-N 465.598 2.914 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740761840 ZFWCGTBKCKSGNV-DWLFOUALSA-N 477.606 2.507 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740763329 JWJBIZWTIUPHNO-IPJJNNNSSA-N 486.642 2.603 30 10 JFEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1740781905 KFTCUEGTVVOZHG-IBGZPJMESA-N 465.602 2.666 30 10 JFEE C=C(C)Cn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740785057 IUUIIGXKSHTTIM-SANMLTNESA-N 488.677 2.665 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740794045 ZMCSSGBGAVAGLS-IBGZPJMESA-N 472.977 2.588 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1740833640 UZUCUXGWMFIUMV-SESVDKBCSA-N 481.663 2.609 30 10 JFEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC(N)=O 1740844710 RKCHSDJKVCDPHE-OAHLLOKOSA-N 461.636 2.849 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1740851273 SIEHUQKDJZOEAA-LEWJYISDSA-N 489.642 2.791 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740868945 XDBNHBAMUHRQBP-JOCHJYFZSA-N 458.950 2.859 30 10 JFEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1740884191 SKSAPBKEODRSSM-UHFFFAOYSA-N 450.587 2.958 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740945664 JVMIVNYCMVKYAH-UHFFFAOYSA-N 477.382 2.777 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCOC1 1740956599 OJQKIALJDAUXIS-CYBMUJFWSA-N 452.328 2.622 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(OCC)c2)C1 1740981667 PWCRJPGDPWSZRO-TZIWHRDSSA-N 460.600 2.603 30 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C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)CCc1cnccn1 1749724595 MADBBZXYWYTNCC-UHFFFAOYSA-N 497.444 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1749731668 HZFVYNULEQPZPW-NRFANRHFSA-N 488.610 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 1749735206 PKDRVCNXTQVSSF-FHWLQOOXSA-N 497.662 2.812 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCc2nccs2)c1 1760125640 JUVNALKMOJTXKQ-XMMPIXPASA-N 480.594 2.686 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC[C@H]2C)c1 1760127488 AOOBRGDCKUNYOK-KNQAVFIVSA-N 458.566 2.993 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCSC1 1760243740 RHOQIWWYXOJSKI-LEDOBFOHSA-N 460.575 2.649 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1760267750 YGQSQDBBYNRGQY-HXUWFJFHSA-N 494.640 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1760271249 RMURWGOMSQNMAW-QFIPXVFZSA-N 465.598 2.946 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1760329998 PKZKXWXDGORTLN-SFHVURJKSA-N 461.636 2.602 30 10 JFEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H]1CCOC1 1760350434 IAYPOIMXIVBFAV-GOSISDBHSA-N 462.620 2.612 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760353519 UXVFEADOHGEPFU-DENIHFKCSA-N 471.602 2.712 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760353629 ZBXJOYUVFMTLQE-UHFFFAOYSA-N 484.601 2.939 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 1760363321 KEFCIAMNMZWLTH-OALUTQOASA-N 481.569 2.806 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCN(C(C)=O)CC2)CC1 1760406022 OZGQLZQZKPTYTH-FGZHOGPDSA-N 458.651 2.763 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760434253 UFRHLSBXKNBVTO-UHFFFAOYSA-N 480.594 2.672 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760491733 RRPPTWQQYAGOKJ-QGZVFWFLSA-N 473.507 2.983 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC[C@@](C)(C(=O)NC)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1760531546 SEGQVTGWKYGJCK-CLJLJLNGSA-N 483.613 2.894 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)C2CC2)C1 1760536049 BTBCQKQYMCQQDD-JXFKEZNVSA-N 450.381 2.988 30 10 JFEE C=CCSCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760568439 JBJDWEAALWYFSI-IBGZPJMESA-N 463.570 2.922 30 10 JFEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1CCN(CCN(C)C)CC1 1762609129 HWMHGAKEUXEGQA-UHFFFAOYSA-N 471.053 2.712 30 10 JFEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1762790438 FXSCCDDXXVXUQX-WOJBJXKFSA-N 451.619 2.582 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1764983457 DTIKHBDKYAOXFU-MHZLTWQESA-N 493.656 2.748 30 10 JFEE CSC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1771375961 GLVUFWNKKKSYRT-IBGZPJMESA-N 488.683 2.910 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCNC(=O)OC(C)(C)C 1772516654 XUXWRUPCSZCHEO-UHFFFAOYSA-N 453.543 2.853 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)n1 1772516914 NCRILJISHDNMDJ-UHFFFAOYSA-N 459.572 2.754 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1772660137 MGMWXGGYVFFWIZ-FQEVSTJZSA-N 469.567 2.607 30 10 JFEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCN2CCCC2=O)cc1 1862739755 GJUKYAJQSQMQDW-OAQYLSRUSA-N 493.472 2.884 30 10 JFEE COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 1862741039 KHVBHQATJRHNDA-QFIPXVFZSA-N 481.505 2.904 30 10 JFEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868743151 DATZAXMCVIMXHJ-DEOSSOPVSA-N 497.617 2.737 30 10 JFEE COc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] 1870112388 AXJKDYRJYYMYNA-UHFFFAOYSA-N 464.438 2.932 30 10 JFEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870155488 PNVZXCHLNCMXHF-UHFFFAOYSA-N 473.449 2.579 30 10 JFEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN(CCOC)CCOC)cc1=O 1870383944 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C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C/C(C)=C\c1ccccc1 1286814012 HUYLLDNBNRSCOC-ZPHPHTNESA-N 457.600 2.655 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1286815733 DKGWKNWHGNTTCE-UHFFFAOYSA-N 489.001 2.978 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1286820238 HVIMFYIBQZJOOQ-HSALFYBXSA-N 466.648 2.947 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286832271 JEUQHAIVLKRFSQ-FUHWJXTLSA-N 465.645 2.936 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(F)(F)F)CC1 1286884590 VYMVQMHNBFJAMN-UHFFFAOYSA-N 450.465 2.986 30 10 JFEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCS1 1287276762 BNHORGUCSAUOGC-UYAOXDASSA-N 474.656 2.676 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1288505950 DKNZJQWZPRAPNH-QWHCGFSZSA-N 455.382 2.599 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1288530120 CSILYBUETJDCHP-KURKYZTESA-N 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487.674 2.836 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1CCOCC1 1359280674 AQQXUTNYXVXNMJ-UHFFFAOYSA-N 452.559 2.648 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCCCC2)C1 1359321544 HTRZUGOKYZKWRC-RTWAWAEBSA-N 490.649 2.854 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC(F)(F)C1 1360469815 HLZCQJMQOCPUQA-AWEZNQCLSA-N 452.531 2.979 30 10 JFEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(c3ncccc3C(N)=O)CC2)s1 1442459434 AZGCIFHTOCPJBR-UHFFFAOYSA-N 452.005 2.681 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COC[C@H]2O)c1 1468101919 UFPGAVBSZYGFHU-RTBURBONSA-N 471.362 2.864 30 10 JFEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n[nH]1 1492687285 DUAGHIIKPZZLHY-IBGZPJMESA-N 477.573 2.980 30 10 JFEE CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1494852917 DDYHJRWQXMXUAO-FQRUVTKNSA-N 481.645 2.797 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)OC 1494974118 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CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1546921954 AJKIKBXFXSMDAI-FQEVSTJZSA-N 451.575 2.704 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(C(=O)N(C)C)CCCC1 1548170901 DIUOPJJPGPHKBX-UHFFFAOYSA-N 483.592 2.801 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1CC1(C)CCOCC1 1555544320 APOUYMZWZLPZHN-UHFFFAOYSA-N 454.575 2.758 30 10 JFEE N#Cc1ccc(NC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1Br 1562779009 FYMHHSNOZCZRPM-HNNXBMFYSA-N 459.300 2.767 30 10 JFEE COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1567696074 HPKBEHLHMUVYDZ-ZDUSSCGKSA-N 451.932 2.821 30 10 JFEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1587838514 XVOMGBOQPYVFEC-UHFFFAOYSA-N 474.587 2.773 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1587860817 BXMKPQZWRCWBGR-FGZHOGPDSA-N 451.596 2.924 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(F)(F)C1(OC)CCOCC1 1587921802 JRRDKDFTMFKCBF-UHFFFAOYSA-N 472.334 2.946 30 10 JFEE 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C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1540198614 NOIVWWJQOJLEEM-UHFFFAOYSA-N 462.558 2.657 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1540853073 KRIJFYPUVLLPHY-IPMKNSEASA-N 454.637 2.660 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1540864523 CJVZIPOTQNULPN-GOSISDBHSA-N 454.556 2.599 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540897407 IJVCLTOMNXUAFF-PBHICJAKSA-N 492.495 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1540904174 JTMKJWDZTYKZQO-KRWDZBQOSA-N 481.663 2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1540908929 SAJLZWBVVJDWPK-INIZCTEOSA-N 483.660 2.747 30 10 JFEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)Oc1ccc(F)cc1 1541834887 GIXIMZUKRSCUTG-HZPDHXFCSA-N 464.567 2.625 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)C1 1541991595 FLJRKAPGKPXJPM-LJQANCHMSA-N 454.428 2.805 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1547802365 CIQLLAANDCLYRG-NHCUHLMSSA-N 481.601 2.940 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)CCc2c(C)noc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367879 TZWJVKOMUTWPFF-IBGZPJMESA-N 463.460 2.578 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548393527 RYPMCVRGHDTCTB-RBUKOAKNSA-N 486.498 2.718 30 10 JFEE CO[C@@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1554604487 CTSNPFQLSBQEDE-UXHICEINSA-N 460.586 2.865 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)cc1 1562198499 PMGVBFUFTYETOG-ROUUACIJSA-N 450.561 2.719 30 10 JFEE C=CC[C@@H](NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)c1ccncc1 1564084247 GOEQTVCCOJCWJC-WOJBJXKFSA-N 457.575 2.952 30 10 JFEE CC(C)Cc1ccc([C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)N(C)C)cc1 1570061363 AJFSNTBKXPCLIR-OAQYLSRUSA-N 456.612 2.733 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1587621758 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C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1588812738 UBTDRDPMNUIKEV-VQTJNVASSA-N 458.607 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1588913563 MXSJUNNPFXJIHH-REWPJTCUSA-N 465.598 2.981 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1589505747 NZGPAOYXPVIDIC-NRJQMVOHSA-N 455.559 2.610 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1589529946 QSLFQHVCCCTXBS-AZUAARDMSA-N 451.637 2.825 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593677602 FLEKNCXTBZWNMA-HSZRJFAPSA-N 470.599 2.970 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1593712235 WMMKFODMTMATCM-HXUWFJFHSA-N 497.600 2.579 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1594680072 MYUHPBYNURKKAN-MSOLQXFVSA-N 484.667 2.938 30 10 JFEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1594783780 IPIYFLKLWGTQOD-KRWDZBQOSA-N 468.533 2.806 30 10 JFEE C=CCNC(=O)Cn1c(N(C)C2Cc3ccccc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595593808 IZAXOPCPBXWHLP-BGYRXZFFSA-N 480.613 2.955 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1595901553 YQWCLXLKPPXVNI-UHFFFAOYSA-N 456.620 2.678 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C1 1596005326 ADLRJZMRZLPBFO-KRWDZBQOSA-N 452.490 2.814 30 10 JFEE CCO[C@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1616084261 AFDYJMAOWPVWLZ-UYAOXDASSA-N 461.588 2.529 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(C)CCCO2)c1 1617705693 DJMVKFBTCIHEHI-PKTZIBPZSA-N 472.615 2.895 30 10 JFEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nnc(C(C)(C)C)s2)cc1 1619239398 CDSXLMHOGXBWFK-SFHVURJKSA-N 467.599 2.998 30 10 JFEE COCCN(C)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1619874688 BWHXIAYUYJWWNR-FQEVSTJZSA-N 488.036 2.602 30 10 JFEE COc1ccc(-n2ccnc2SCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1635213470 DFLQLBWWJZWHET-QGZVFWFLSA-N 457.556 2.944 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)OC)s1 1635491209 JDMNALHFURBZOH-IBGZPJMESA-N 450.582 2.812 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1649538563 DVGCKXFSLGOPNV-HOCLYGCPSA-N 487.377 2.987 30 10 JFEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1689893540 ZWVNLITYPIXZEV-JOCHJYFZSA-N 487.626 2.892 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1689984746 UOEPZKGECBBWQO-IRXDYDNUSA-N 466.991 2.659 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689984841 WWTJZMAEFBMSNG-OAQYLSRUSA-N 466.611 2.533 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690049645 ANZMEQBPIAQKJK-DHIUTWEWSA-N 495.649 2.545 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1690056307 NACLGJNWONSLTG-HRNNMHKYSA-N 491.636 2.734 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCC1(F)F 1690097703 NCPYEEAWWXBUHI-GOSISDBHSA-N 456.501 2.832 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(F)(F)Br 1690101259 UTVDGFQBZZLRBA-UHFFFAOYSA-N 495.328 2.749 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCc2nccc(C(F)(F)F)n2)CC1 1690136627 HTYMUTAAXAZCKE-HNNXBMFYSA-N 463.508 2.809 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 1690288044 FKRGWYCHKDJBKP-HXUWFJFHSA-N 463.604 2.611 30 10 JFEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690465810 NZOWEYKBIGJZAO-UHFFFAOYSA-N 451.619 2.755 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690719349 LBPLNCWLNJZILE-OCCSQVGLSA-N 479.912 2.750 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1693033875 ICBDFENLAFNGBL-RDPSFJRHSA-N 486.642 2.886 30 10 JFEE Cc1nccn1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1693386917 GLHHHRWDBSNDJD-HNNXBMFYSA-N 460.311 2.781 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1694218054 ACILGZOREZCMEV-OAQYLSRUSA-N 486.624 2.763 30 10 JFEE Cn1ncc(CCCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@](F)(C#N)C2)n1 1696884770 FWXNXEXPBRQKSV-QHCPKHFHSA-N 487.584 2.596 30 10 JFEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Br)cn2)C1 1697866054 CFEPGQSIHWGDAO-MRXNPFEDSA-N 456.348 2.949 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@@H]2C(=C)C)c1 1705504785 DUBABJGQBMWZDU-AUSIDOKSSA-N 457.538 2.773 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1Cc1cccc(N2CCOCC2)n1 1705623777 DTEQHPVCOMZWOI-UHFFFAOYSA-N 460.582 2.873 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(c3ccc(F)cc3)CC2)CC1 1705632273 LFXYWMQWBPKSAT-UHFFFAOYSA-N 452.578 2.823 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1705643930 VTVSYFWIJKHMOM-UHFFFAOYSA-N 494.086 2.804 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(C)C)CC1 1705647664 KMYHOSRZZOHAIS-UHFFFAOYSA-N 475.597 2.687 30 10 JFEE 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CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)N3Cc4ccc(B5OC(C)(C)C(C)(C)O5)cc4C3)[C@H]2C1 2283982079 TVHZQVIUWLZNHL-OALUTQOASA-N 454.376 2.941 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2CO[C@@H](C)CN2C(=O)OC(C)(C)C)s1 2283982810 CJRXKOZNLJQWHC-YOEHRIQHSA-N 480.436 2.996 30 10 JFEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)COC[C@@H](C)NC(=O)OC(C)(C)C 2284018055 QJQRYLXBIQYBCE-OAHLLOKOSA-N 464.368 2.863 30 10 JFEE CCn1cc(C(=O)NCC[C@@H](C)CCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2284055798 ZJBNJRGDJMEITK-MRXNPFEDSA-N 464.416 2.873 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)[C@@H]2CCO[C@@H]2C1(C)C 2287039122 OUCZWBGQYGVWDJ-KCYKTTMJSA-N 462.396 2.836 30 10 JFEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302958473 UYVQSCMRKIBWDT-UXHICEINSA-N 450.601 2.655 30 10 JFEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 2321143267 UCCCNUNPWQGDGB-UHFFFAOYSA-N 459.440 2.820 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 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C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2C1=O 17051253 DTXBMXTZIWJCEU-UHFFFAOYSA-N 489.553 2.769 30 10 JFEE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 20806827 KXTZDROIUJUXDY-FOKLQQMPSA-N 478.494 2.936 30 10 JFEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccccc3Cl)n2N)cc1 20913968 UUAHKDYWKVGXBI-FSJBWODESA-N 473.946 2.999 30 10 JFEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C)cc3)n[nH]2)c([N+](=O)[O-])cc1O 59039927 KPVOIKZNTQOOEL-AWQFTUOYSA-N 457.472 2.912 30 10 JFEE Cc1cc(I)ccc1NC(=O)C[C@@H]1S/C(=N\c2ncccn2)NC1=O 72435545 ZVDGZMHEVMNHML-LBPRGKRZSA-N 467.292 2.638 30 10 JFEE COc1cccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)c1OC 97553102 KTMCKGBNTASKHT-FMFFHWJCSA-N 468.506 2.607 30 10 JFEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 102525400 HEUGKOOLKFVNBQ-VFJWVMJUSA-N 464.518 2.536 30 10 JFEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 500047830 FAUCYFKCQWTQLB-FQEVSTJZSA-N 481.603 2.670 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCc2c[nH]c3ccccc23)CC1 569133284 IXNIDVMTMTXJGW-UHFFFAOYSA-N 451.552 2.688 30 10 JFEE Cc1cccc(-n2c(=C(C#N)c3nnc4n3CCCCC4)sc(=Cc3cnn4ccccc34)c2=O)c1 729668239 CSCJZCRDAFZTTH-UHFFFAOYSA-N 493.596 2.724 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)cc2C1=O 853261801 VDQRMHIUUPWUAO-ZDUSSCGKSA-N 465.462 2.620 30 10 JFEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1084207808 PBFCDGMPYGCRJA-UHFFFAOYSA-N 499.469 2.756 30 10 JFEE CCOc1ccc(NC(=O)CCSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084416973 XRNGKTPPLMSVJM-UHFFFAOYSA-N 457.564 2.735 30 10 JFEE C=CCn1c(SCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nnc1-c1ccc(OC)cc1 1188121501 BLSJKFKDQGXLSO-FQEVSTJZSA-N 454.600 2.924 30 10 JFEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(OCCOC)c(Br)c2)n1 1211730898 JNTXMKLXROYOBL-UHFFFAOYSA-N 456.362 2.515 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCSCC2)cc1 1286275740 OXDIDSZRHYVGFG-NTKDMRAZSA-N 455.628 2.990 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1286298781 PBLWCZYCLWPSPT-SJORKVTESA-N 467.636 2.722 30 10 JFEE C#CCCCCn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1286334096 DFXOHCMZTJDSGD-URXFXBBRSA-N 455.607 2.859 30 10 JFEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286344417 AJEXIKBUWBASKU-UHFFFAOYSA-N 455.522 2.772 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286380128 CAERMYFHXDPOBZ-GOSISDBHSA-N 455.456 2.719 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286388004 KBIYMSAATHBBHN-GOSISDBHSA-N 471.970 2.699 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286390663 BAOXJBGHTLGRTF-UYAOXDASSA-N 492.642 2.871 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1286396587 WGBITTXLBYUOFU-IEBWSBKVSA-N 480.537 2.796 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286398867 ROESLXYMCPHKTF-UYAOXDASSA-N 478.615 2.829 30 10 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C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286817226 LFOOJDAPZLOPKX-CRAIPNDOSA-N 499.431 2.549 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)CC1=O 1287758781 DFBVHKSKDSWMBD-UHFFFAOYSA-N 467.574 2.646 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1300333123 WMAMYXDDDBJTCR-OALUTQOASA-N 450.587 2.711 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300383938 JVQOYORRIGJGSS-ZWKOTPCHSA-N 463.579 2.736 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300392516 ZCFUVFZIHLYGJN-HNNXBMFYSA-N 456.913 2.683 30 10 JFEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1300400659 IOQJYTPIIZZVJE-FQEVSTJZSA-N 464.614 2.936 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300484168 OSTMWXCIRKJIIZ-LJQANCHMSA-N 474.627 2.852 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1300489774 RZMVMZFARXXGNT-NRFANRHFSA-N 480.638 2.852 30 10 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2.762 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCN1CCOCC1 1359096158 XPQHCSHMLXLTSI-NZQKXSOJSA-N 471.602 2.712 30 10 JFEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2oncc2C1 1359133346 QEJFOHALMBQKSH-GOSISDBHSA-N 474.562 2.730 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359158281 LZOBRMCLKHPRKH-SFHVURJKSA-N 456.566 2.836 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359185250 PEZHABRAXGBIQH-HXUWFJFHSA-N 464.614 2.992 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOc2ccccc21 1359281737 IGLCAPLEURSNMY-RBUKOAKNSA-N 460.600 2.775 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCOC[C@H]2C1 1359292748 WXSRCZFMUMIVRL-AZUAARDMSA-N 489.020 2.511 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359304718 HFSAZTIOYVWQKD-UHFFFAOYSA-N 495.628 2.504 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 1359325477 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SJUOCLIIOXLDSQ-JKSUJKDBSA-N 477.407 2.981 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740955518 WWFPFMFUPHMZOQ-JOCHJYFZSA-N 495.502 2.548 30 10 JFEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1741207807 HBHNMMPXQOFNMI-UHFFFAOYSA-N 458.570 2.843 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2csc(COC)n2)c1 1748695175 ZHCAOAYLAXGHAT-UHFFFAOYSA-N 487.589 2.971 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@@H]2C)c1 1748698052 PDHXUXRCJGZJQJ-UQWVPHONSA-N 481.597 2.731 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1748810099 RXQPWDBSBGUEIN-RBBKRZOGSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748811773 LDVQGVRRLDLPNC-IEBWSBKVSA-N 469.542 2.573 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1748821724 UDMJMZCWYVERJZ-NRFANRHFSA-N 481.622 2.987 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748821955 WWEWBUVRLSRGIB-GHRAFVERSA-N 488.679 2.564 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnnn1CC1CC1 1748917314 UPEWRUKOUOUVDD-UHFFFAOYSA-N 471.363 2.621 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@H](C)C1 1748936342 WMXJHGTYEADOKS-PKTZIBPZSA-N 450.631 2.917 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1749194136 XIDYJHHBPMDLAU-RDTXWAMCSA-N 455.531 2.663 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749280564 LKGDTMPHUDMTPN-INIZCTEOSA-N 465.341 2.736 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)CC1 1749331778 XHMIBWSQXUEVMR-UHFFFAOYSA-N 473.643 2.862 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1749676079 CXDWIFAIRYONQP-QHCPKHFHSA-N 459.598 2.667 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2C(F)(F)F)nnc1[C@@]1(OCC)CCOC1 1749682304 RDVLTMKNAGNOJW-OAQYLSRUSA-N 467.492 2.888 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCOCC2(C)C)C1 1749703857 QCFRJQFQWYNGMS-FQEVSTJZSA-N 471.602 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](COc2ccccc2)C1 1749729570 NSIHNCVVADQCGY-LJQANCHMSA-N 455.584 2.790 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1749730709 NSUNUNHZDJTEBI-UHFFFAOYSA-N 486.642 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1749740148 QYHYLMCBMQLKQH-IBGZPJMESA-N 477.656 2.585 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1749764889 AUZKDBXPJNBVKB-HXUWFJFHSA-N 477.656 2.701 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CCOC)CC1 1760158551 OEKZUXSJSOGMGY-UHFFFAOYSA-N 462.392 2.801 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1760192631 LBYBREGWTPBNBR-SFHVURJKSA-N 472.542 2.881 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCS(=O)(=O)C1 1760199272 WOTQMZJXILMRQS-IBGZPJMESA-N 464.547 2.625 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@@H]1CO 1760208123 JOMDPLLDBACMBQ-YADHBBJMSA-N 484.645 2.660 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NCC 1760241111 PAJFUGPHWLCCHR-UHFFFAOYSA-N 480.544 2.947 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nc(C(F)(F)F)cs1 1760245261 XMOUEBIJWQMLPV-UHFFFAOYSA-N 499.540 2.958 30 10 JFEE C#CCSCCn1c(C2CCC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1760280017 GYEXKNSJLSKSBM-QGZVFWFLSA-N 459.620 2.715 30 10 JFEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1760345803 VAGJIWSYAYEKCI-KRWDZBQOSA-N 467.636 2.982 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1760346009 CUEZMFLLTMTRTM-INIZCTEOSA-N 450.584 2.514 30 10 JFEE C=C(Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC)c1ccccc1 1760363029 CHWFGNPWRMNYGB-UHFFFAOYSA-N 457.556 2.590 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1760465237 ZTPGMDGJASWHPG-LJQANCHMSA-N 457.600 2.979 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCC[C@H]1C 1760480244 PFMYLUONMOZLMQ-JRGCBEDISA-N 455.584 2.669 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1760489821 KXQCAAGZTMQFAB-LEWJYISDSA-N 499.660 2.739 30 10 JFEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1760510337 RJNUBYJVMQUHBW-WBVHZDCISA-N 467.389 2.707 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1760518628 YBIAJPUANIVXBL-UHFFFAOYSA-N 456.934 2.949 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1760524422 XOSWLOZSERDTHN-WRURNZQNSA-N 488.633 2.841 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1760524485 YVRARDZMJOELKI-SFHVURJKSA-N 462.595 2.658 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760551256 YNOJOQLUTLFYJY-KRWDZBQOSA-N 466.007 2.552 30 10 JFEE CCOc1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)c1OC(F)F 1766053988 GLCOXUSAMYWNEA-UZUQRXQVSA-N 493.511 2.707 30 10 JFEE COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)c(OC)c1 1858293090 GBGVNOUDSCGYQQ-UHFFFAOYSA-N 474.520 2.572 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)NCCc3cnc[nH]3)cc21 1858807320 SARDBWKSBMTELN-INIZCTEOSA-N 490.520 2.731 30 10 JFEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3cccc(C(=O)O)c3)cc2)c1 1859002554 DUOWHYJHASTZMJ-UHFFFAOYSA-N 492.513 2.739 30 10 JFEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1861507765 ISLCNRWXFBMAKV-GHTZIAJQSA-N 457.571 2.743 30 10 JFEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc(Cl)c1O 1862613305 XWHTUUCAKCSZPG-WYRIXSBYSA-N 475.881 2.785 30 10 JFEE COc1ccc(-c2csc(CCC(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)n2)cc1 1867072498 WENGEJLEDZBCIO-IBGZPJMESA-N 450.520 2.739 30 10 JFEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1 1869041074 BHVBFFRTAHRWKM-SJORKVTESA-N 461.364 2.580 30 10 JFEE O=C(NCCCCN1CCCC1)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869931599 BDWVFNJCWJGNMI-QHCPKHFHSA-N 493.633 2.810 30 10 JFEE O=C(NCc1ccccn1)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869931668 DHTPHDQKHGMPKV-OAQYLSRUSA-N 459.531 2.529 30 10 JFEE CCN(CC)CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932300 ZLQPOJVYWCLMSD-QFIPXVFZSA-N 481.622 2.666 30 10 JFEE N#Cc1nnn(-c2ccc(Br)cc2)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1870156676 ZOMRFMRCKKCBCD-UHFFFAOYSA-N 458.188 2.970 30 10 JFEE CCCCCCCCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN(CC)CCO 1870535471 WPFPROKFHLNJQA-UHFFFAOYSA-N 480.694 2.860 30 10 JFEE C=CCn1nc(C)c(I)c1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 1871332565 DYRWOPMTGMIRGI-UHFFFAOYSA-N 483.262 2.808 30 10 JFEE Cc1cc(C)n2[nH]c(=NC(=O)COc3ccc4c(c3)O/C(=C\c3ccc5c(c3)OCO5)C4=O)nc2n1 1871431206 ISJLTKOHCLRJGU-NKVSQWTQSA-N 485.456 2.525 30 10 JFEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871654913 WOKNTRKNTAELQV-UHFFFAOYSA-N 477.953 2.537 30 10 JFEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871658020 UNOWLKJYMSRALS-UHFFFAOYSA-N 488.644 2.666 30 10 JFEE C=CCn1c(C(=O)NCCCCN(CC)CC)cc2c(N(CCOC)CCOC)ncnc21 1873595085 OHRDFIVKVJZKAI-UHFFFAOYSA-N 460.623 2.568 30 10 JFEE COc1ccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SCC(N)=O)cc1O 1874230610 RXWCKGUNIAIEMV-NUGSKGIGSA-N 461.931 2.993 30 10 JFEE COc1cc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCCO)cc(OC)c1O 1874298082 JBORALOEMQAQKM-LPYMAVHISA-N 473.511 2.857 30 10 JFEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(OC)cc2OC)c1 1874309234 LRJUJTKBQLHJOC-DHRITJCHSA-N 485.566 2.557 30 10 JFEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CN(c3cccc(C(F)(F)F)c3)C(=O)O2)cs1 1890453930 DXDHCOUYQHXUOG-CYBMUJFWSA-N 454.430 2.833 30 10 JFEE C=C[C@H](O)CS(=O)(=O)C(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990656798 ADEUOUWEDZOBRX-BTYIYWSLSA-N 473.547 2.719 30 10 JFEE CCCn1c2c(c(=O)n(C)c1=O)C(=O)C(=Cc1cc(Br)c(OC)c(OCC)c1)N2 2040454348 QARKARWJFIQOAM-UHFFFAOYSA-N 464.316 2.776 30 10 JFEE 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2.989 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255947579 BGEPXQOPCJMIKC-KGLIPLIRSA-N 472.438 2.771 30 10 JFEE CCN(CCCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2256606833 WVBWFDMPJGVEPP-UHFFFAOYSA-N 454.402 2.625 30 10 JFEE CC[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256675256 PWATZPKQUBFZBE-ZSEKCTLFSA-N 451.398 2.752 30 10 JFEE C=CCCC1(C(=O)N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2266315430 NHARXGQOPOGTJU-ZWKOTPCHSA-N 467.607 2.924 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]2COC3)C1 2266493675 CYJXJJRNLOBAEO-SNTJIJGESA-N 463.575 2.530 30 10 JFEE CC1(C)OB(c2cccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2Cl)OC1(C)C 2267010064 RYUMGEAOGYTBET-LJQANCHMSA-N 460.689 2.922 30 10 JFEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2267105662 PDBWEFBACRWHJD-IBGZPJMESA-N 456.417 2.987 30 10 JFEE 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C#CCCCn1c(N2CCCN(c3nc(CC)ns3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300424957 QGDUQDDJWFSURF-QHCPKHFHSA-N 473.647 2.863 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1300500889 FSPPRGJDUXIMOL-GOSISDBHSA-N 467.517 2.514 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1300502417 UABDUQTWEWHPOR-OAQYLSRUSA-N 469.998 2.787 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1300503116 AOAOFBJRYUKBGM-GVDBMIGSSA-N 458.575 2.869 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2)CC1 1300686146 XLSGDFRWWPHWSW-UHFFFAOYSA-N 455.360 2.870 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCNC(=O)C2CC2)CC1 1300708066 MMPFSDUAWBZEAR-UHFFFAOYSA-N 464.614 2.570 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cc(C)nn2C)CC1 1300716985 VUFRQOUJLLYYMM-UHFFFAOYSA-N 483.523 2.603 30 10 JFEE C#CCSCCn1c(N(C)Cc2cnccn2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300776480 KZKCUPMPOYKMMX-CALCHBBNSA-N 457.604 2.842 30 10 JFEE 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C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1301553300 JOAJKNZPYLYXGV-LJQANCHMSA-N 455.584 2.711 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)CCO1 1303530315 BSCDGTDEBGFKFJ-VWLOTQADSA-N 495.672 2.721 30 10 JFEE C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 1307558195 BYPPTBKWZWRJJH-GOSISDBHSA-N 451.552 2.761 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)NCc2cc(Cl)ccc2I)CC1 1312990141 LZNUASMHEMAZCB-UHFFFAOYSA-N 459.715 2.616 30 10 JFEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1313693858 GSTZJRRRVPAPCZ-LJQANCHMSA-N 456.616 2.562 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCOC2)CC1 1313948233 BYDUJQMCPIKUTQ-UNMCSNQZSA-N 451.619 2.563 30 10 JFEE C#CCN(C(=O)c1c(Br)nnn1C)[C@H]1CCOc2ccc(Br)cc21 1353635595 STSNSIBLAMVMDY-LBPRGKRZSA-N 454.122 2.939 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN1CCCC1 1358886154 YYSYAOAZOQUYBK-GOSISDBHSA-N 457.648 2.818 30 10 JFEE 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C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594760745 OMRIDMQMXGSZPG-HXUWFJFHSA-N 452.559 2.913 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1594811960 ASUYHVRWVKECGR-UQBPGWFLSA-N 488.633 2.702 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1595219790 XSJMFULSGNEFQN-NRFANRHFSA-N 459.616 2.763 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1595398417 DKBKAHOHADHVJZ-SJORKVTESA-N 459.551 2.848 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595538058 YASPHVOBUKAEQA-UHFFFAOYSA-N 492.584 2.532 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1595777502 OUGCMGNPKCAFTB-IERDGZPVSA-N 476.599 2.567 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1 1597472286 HESJDXGXPMLOAW-LJQANCHMSA-N 471.606 2.930 30 10 JFEE CCCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCCC(=O)N(C)C)c2ccccc2c1=O 1614897625 HQYHMELTUTZDIE-UHFFFAOYSA-N 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2.781 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1300806134 QGDSBGVHGUNMCP-PGRDOPGGSA-N 479.553 2.589 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300839246 FEHABHDBUHMRMD-INIZCTEOSA-N 462.396 2.774 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1301045305 SJMJGTRMFHDFFB-KRWDZBQOSA-N 495.024 2.788 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301151318 LXFDLSHDOBMGIK-MOPGFXCFSA-N 488.633 3.000 30 10 JFEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301231758 PBLWCUIWRDHTAV-RDPSFJRHSA-N 477.613 2.684 30 10 JFEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1301240163 ZPOWOZZZFGEHDW-JJRVBVJISA-N 466.435 2.501 30 10 JFEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC(C)(C)[C@H]1C 1301248689 JOWUZCKKWYIGGN-QGZVFWFLSA-N 462.620 2.835 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1301270155 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1722383272 MYCNTVIXTJTOQL-UHFFFAOYSA-N 451.575 2.752 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722442845 FDSXHKKYTZDZAP-UHFFFAOYSA-N 492.668 2.709 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCOCC2)CC1 1722450485 KFFMFZGVJOEJEI-NHCUHLMSSA-N 457.619 2.589 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1 1722457573 GMDWRENOOYXHCY-KRWDZBQOSA-N 452.584 2.564 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722495195 QGFDPRUYCPFBOH-ZQIUZPCESA-N 463.380 2.684 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722524210 UPEHASBIBFWYLZ-YDLHNXBPSA-N 477.606 2.935 30 10 JFEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722611876 MUECGNGGWNIVBL-UHFFFAOYSA-N 472.571 2.560 30 10 JFEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1722652200 GKNNFGUWHMXLSO-MRXNPFEDSA-N 451.543 2.726 30 10 JFEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722682708 DGNXSLAFYINVKY-SIKLNZKXSA-N 468.602 2.746 30 10 JFEE C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722686646 QLOPXJGNJKIHEQ-IAGOWNOFSA-N 456.547 2.585 30 10 JFEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722688037 FLTGQFIOCCZFJN-SZPZYZBQSA-N 466.630 2.978 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1scnc1C 1722750686 MVRGQACTVOLIGB-UHFFFAOYSA-N 462.557 2.855 30 10 JFEE CC(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1723630606 BWIMNNCZJHQSEG-SFHVURJKSA-N 471.993 2.548 30 10 JFEE CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1729315788 ACYFSCDLQPGRJG-AVRDEDQJSA-N 472.546 2.686 30 10 JFEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CCO1 1729687912 CFABOKKXBJAVOU-HKUYNNGSSA-N 474.512 2.505 30 10 JFEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740572267 FVUXMBVQSAREBK-UHFFFAOYSA-N 495.634 2.896 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740624897 MPLQEKKIMPGJKH-QFIPXVFZSA-N 498.678 2.787 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)Cc1ccccc1 1740632568 MBVFSXAIIDEAEL-UHFFFAOYSA-N 489.649 2.751 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)(C)C)CC1 1740700005 BXFNUXUSIAPPIW-IBGZPJMESA-N 460.623 2.920 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)NC(C)C 1740755306 JOJUZFOUBKKKMF-VGSWGCGISA-N 457.575 2.904 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740758452 XSTWEPDUSNFALQ-UPVQGACJSA-N 481.645 2.702 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1740772534 XBBJPNXPWWJYKK-UHFFFAOYSA-N 455.588 2.569 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1740777534 JYNUDNNFNNFZTG-KRWDZBQOSA-N 455.588 2.521 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)s2)CC1 1740825533 PFKBISYQTUFNJV-OAHLLOKOSA-N 458.009 2.531 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1740926208 UDMVMOMNLDXWEE-CQSZACIVSA-N 463.995 2.655 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740954795 GUUCKCQRHQGFAG-LJQANCHMSA-N 461.570 2.681 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(=C)C 1740992313 OWEPOQLVJGZPGJ-GOSISDBHSA-N 483.635 2.590 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740996464 CHSVUCSFBLYYBZ-GOSISDBHSA-N 477.656 2.620 30 10 JFEE CC(C)N(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)C 1741619500 DAXWVWRRQIHSSC-FGZHOGPDSA-N 465.602 2.798 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)C1 1745769170 DNGRKMKSMMMFFD-SFHVURJKSA-N 480.598 2.680 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)C1 1748143063 DJNFGUNVAACUPR-DRMXPCRNSA-N 452.559 2.506 30 10 JFEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)CCOC1 1748494928 BYHPLTUETOBIMX-QFIPXVFZSA-N 492.502 2.517 30 10 JFEE C#CCCCn1c(N2CCC(NC(=O)NC3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1748763316 ZCFHJDKZQGSFMU-VWLOTQADSA-N 472.634 2.944 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748821349 PUEJCXMXRGGUPE-HXUWFJFHSA-N 469.611 2.792 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)c1ccc(F)cc1 1748841094 SNDHJNAVBWECDY-OAQYLSRUSA-N 480.569 2.838 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1748846529 ICFDKDCDHVGIPX-YADHBBJMSA-N 482.629 2.724 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cccnc2OCC)CC1 1748994519 JIQKOBBKBSSOAU-UHFFFAOYSA-N 460.582 2.669 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC=C)Cc1cccc(C#N)c1 1749038245 JFOHSIPEIDTXGM-HXUWFJFHSA-N 455.609 2.611 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749044665 SXGHJRXLUHYIQM-UHFFFAOYSA-N 457.607 2.824 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1749055807 OVEZVHARCJTSKY-RPWUZVMVSA-N 472.611 2.515 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749133791 QDZCLQDLJZQQBV-CBQOVEMMSA-N 459.616 2.649 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749136858 SVXBECQIXFINSI-UYWGQIMJSA-N 490.988 2.852 30 10 JFEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749251458 FQWVHQOQPXIVQY-LSDHHAIUSA-N 457.959 2.828 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 1749270703 GHHISHNKPPZHDE-IIBYNOLFSA-N 453.971 2.956 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)C(=O)C1 1749359398 KHGYPNRNCNSVNT-UHFFFAOYSA-N 455.559 2.614 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1749401358 YTJHZPMWBIJVGM-LJQANCHMSA-N 462.595 2.611 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749412027 JATIPJGIXNLREG-IRXDYDNUSA-N 470.640 2.548 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749449129 ILWUDRHZOHTESH-UXHICEINSA-N 455.559 2.802 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccc(C)cc1 1749482731 NIDPAQIKOGDABD-UHFFFAOYSA-N 467.599 2.599 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749690699 ZWBOTQCUOGXOPS-NLFFAJNJSA-N 469.586 2.634 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749729771 RUGAMADEPKPTCN-HKUYNNGSSA-N 490.630 2.680 30 10 JFEE C=CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749764241 WXJMOYFDTQKUNR-IXDOHACOSA-N 464.636 2.683 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@@H](C)C2)C1 1750846368 CFVPXNMQYGEXPX-REWPJTCUSA-N 468.602 2.701 30 10 JFEE Cc1ncsc1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1751345041 DXNUSIIYYJHSES-OAHLLOKOSA-N 473.628 2.799 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1760122480 MKBBCLQXZQWLII-PKOBYXMFSA-N 482.610 2.702 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760131709 YICZKQNIVNEURF-ROUUACIJSA-N 463.579 2.831 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1760136601 ANKHLSKQQTZBSI-SFHVURJKSA-N 458.584 2.564 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760216158 CKVTWIWUGFESOM-HSZRJFAPSA-N 485.466 2.919 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2COC)CC1 1760255005 SQJMQFCORWZBAW-UHFFFAOYSA-N 483.414 2.996 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)cc2SC)CC1 1760257170 QIJMCHBRZTXHNL-DEOSSOPVSA-N 455.628 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1760271953 SSCPCQJGCLEVRJ-DEOSSOPVSA-N 489.599 2.672 30 10 JFEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760347382 VRPLMXPAIUSCJF-UHFFFAOYSA-N 488.639 2.752 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760378530 MVQWFCHLQXYVMJ-PGRDOPGGSA-N 473.021 2.907 30 10 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471.565 2.577 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301468590 DFCLLBCUARXSAN-UHFFFAOYSA-N 490.402 2.881 30 10 JFEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1301469623 DETPOAYELZTRLR-TZIWHRDSSA-N 470.593 2.999 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1301499329 BJOXHBROOQLCPV-HZPDHXFCSA-N 467.496 2.531 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC(C)(C)C2)C1 1301544489 XSAJPHGCECNHIQ-KRWDZBQOSA-N 479.423 2.928 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)CC)C1 1301555729 DBGSAVYHUSNPAI-OALUTQOASA-N 497.662 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1301579376 QJYGPPCUKWNHHO-FQEVSTJZSA-N 454.600 2.585 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1303361860 GMSOKGGDMDBNCG-UHFFFAOYSA-N 459.595 2.946 30 10 JFEE CC[C@H](C)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1305338369 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CXKZUERVEAVDFL-OAQYLSRUSA-N 459.660 2.818 30 10 JFEE C=CCONC(=O)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 1468107763 YUCMYQSSGDBQLK-UHFFFAOYSA-N 458.277 2.939 30 10 JFEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 1473013990 HSDZTXLVTSOPQH-KRWDZBQOSA-N 458.312 2.926 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)c1cccc(OC)c1 1497085532 GAZMNWMAIYBFRW-HXUWFJFHSA-N 454.575 2.912 30 10 JFEE CCN(CC)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1501915045 ADFMMPNATGOLPE-YADARESESA-N 487.674 2.908 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1502379292 AJPUQOPMENDIMQ-QGZVFWFLSA-N 478.601 2.994 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507627543 KEYCQQQLKCMINC-MBSDFSHPSA-N 456.568 2.725 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1507719296 MROHAFBABKRSAJ-HOFKKMOUSA-N 480.657 2.594 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507796525 BBWSIFBSGQVGST-PZJWPPBQSA-N 474.631 2.572 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507831622 BRSJCLHYYNUVKH-UHFFFAOYSA-N 467.622 2.612 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCSC1 1507838419 BWBYWOAWRRBPLR-GOSISDBHSA-N 465.645 2.730 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507856577 CFHMSBZQJLNEHB-GUYCJALGSA-N 469.815 2.956 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507859928 HBZYWJRYFXINEA-JXFKEZNVSA-N 458.994 2.695 30 10 JFEE C=CCOc1ccccc1Cn1c(CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1508102825 AWSFYNSCGUYYGW-NFBKMPQASA-N 466.630 2.833 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 1508129792 FIWWCVGDXHKLMM-FCHUYYIVSA-N 452.603 2.793 30 10 JFEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)cc1C 1510954241 AYBXECPQLVQTCW-RTBURBONSA-N 460.604 2.636 30 10 JFEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1517158598 ICSRCQHWBCNXKT-UHFFFAOYSA-N 466.546 2.623 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@H]2C(=O)OC)c1 1531864698 PDTUXHSYSIUORI-VQTJNVASSA-N 478.954 2.782 30 10 JFEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1532325284 SMPANWHPWHBYCH-APWZRJJASA-N 452.573 2.589 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)c1 1539043913 WNUHKTWNENFQMU-FDDCHVKYSA-N 487.651 2.522 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539055569 CLAAXZHZZKKPOT-UHFFFAOYSA-N 488.995 2.522 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1539219911 OJEITHPTOWXPLP-SJLPKXTDSA-N 473.599 2.895 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1539231400 RTJCJJBDUJCLHM-VABKMULXSA-N 484.622 2.515 30 10 JFEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 1539272927 HEDDCQXXBAUPOZ-AREMUKBSSA-N 463.651 2.734 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cn(C2COC2)nn1 1539383015 XIBLKUSJGBJQGB-UHFFFAOYSA-N 462.341 2.835 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539392508 QYIXOHSRMBYNPJ-QUCCMNQESA-N 481.494 2.824 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1539424523 SBBYELFBKDRXTK-ZJSXRUAMSA-N 473.581 2.851 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2OCC2CC2)CC1 1539467400 SLLHBOHXKOADRS-UHFFFAOYSA-N 492.624 2.528 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1539668921 HLIZBXWCBFAHEN-QGZVFWFLSA-N 464.611 2.761 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1539669937 VZPVHNPIYPDZTD-TZIWHRDSSA-N 477.631 2.789 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1539828539 KNCQEYXRMSRXPY-QZTJIDSGSA-N 462.595 2.710 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1539961256 RORHQIQZFQRCJA-LJQANCHMSA-N 465.602 2.705 30 10 JFEE COC(=O)c1cn(-c2cccc(NC(=O)COc3cccc(Br)c3C#N)c2)nn1 1539973376 CKYPCCACRHRPEL-UHFFFAOYSA-N 456.256 2.706 30 10 JFEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540033475 JLBVYYNYEHLGGO-GOSISDBHSA-N 457.556 2.816 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1540147320 KIKUKJNJUSSBOM-VQTJNVASSA-N 453.591 2.759 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1540872846 CDZDBSZZKUCKHO-UHFFFAOYSA-N 470.574 2.707 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2n[nH]c(C)n2)C1 1540891639 XRSPZVNEQVYYFM-RTBURBONSA-N 486.621 2.843 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1540898158 BIKKWIHDXGDVGA-GOSISDBHSA-N 486.342 2.889 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540912155 NWNAUEWAPHBIOO-INIZCTEOSA-N 450.586 2.606 30 10 JFEE CNC(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1cc(C)nn1C 1548380423 ULXSETOBPXWHDQ-FQEVSTJZSA-N 488.514 2.866 30 10 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2.885 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)c1c(C)noc1C 1588099797 ZMKKGPLKYDOHGK-INIZCTEOSA-N 451.552 2.830 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1589006245 CHIAMJNOEIFXJO-UHFFFAOYSA-N 494.625 2.892 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1589047543 AHXRLZYRLXTZRR-UHFFFAOYSA-N 485.976 2.856 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1589527985 CAVYTQSTQLFHKK-BQFCYCMXSA-N 451.497 2.789 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1593757860 PGBRNFWCXNUJAY-DENIHFKCSA-N 472.659 2.512 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1594247557 LVSHFTKYPYBOSX-UHFFFAOYSA-N 452.584 2.645 30 10 JFEE C=CCCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594660123 IJAKYAFLVWZGHE-RZPFDVGOSA-N 488.677 2.664 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C(=O)OC)CC1 1595497098 PXLPFYIDKAEESG-UHFFFAOYSA-N 497.781 2.552 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(CC(F)(F)F)CC1 1595516974 MGZSEXFAVMGJPF-UHFFFAOYSA-N 473.503 2.870 30 10 JFEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595850152 JNUNMRXBJOTCHM-INIZCTEOSA-N 475.571 2.531 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1611658237 ABGIPWCTUHDRMC-KBXIAJHMSA-N 450.531 2.995 30 10 JFEE CCCN1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 1614840153 CXFQNZGBIHWOLE-JOCHJYFZSA-N 479.629 2.765 30 10 JFEE N#Cc1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2Sc2ccccc2)c1 1616132841 YIYROHRYQZHAIG-YRXWBPOGSA-N 450.480 2.652 30 10 JFEE CS[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)C(C)(C)C 1620213546 BDERWESHNUWALY-FQEVSTJZSA-N 486.642 2.801 30 10 JFEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OCC 1622450311 OMCGCNGQWKMNHM-LLVKDONJSA-N 454.726 2.588 30 10 JFEE C#CC[C@@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)c1ccccc1 1632034820 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2.614 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)cc1N1CCOCC1 1286304403 VZZYEXYTFSDTET-LJQANCHMSA-N 478.622 2.921 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286364817 KMNQEYAOSDGIFJ-LJQANCHMSA-N 467.492 2.685 30 10 JFEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286389992 UTUPTLBKDZBLPJ-AWEZNQCLSA-N 494.499 2.563 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286398688 ZZLVFUREAIQLDI-FGZHOGPDSA-N 496.637 2.542 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1OCC(F)(F)F 1286433357 QYUZYZDPIYCFRP-OALUTQOASA-N 477.487 2.849 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCN(C(C)=O)CC1 1286457520 QVDGAUPHUMURQF-GOSISDBHSA-N 457.550 2.902 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(Br)cn1 1286463653 JUOHRRBDLZXBMQ-UHFFFAOYSA-N 468.359 2.952 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286498948 GEHUQXBCGPPHKM-UHFFFAOYSA-N 484.626 2.667 30 10 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2.847 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccnc(SC)c2)CC1 1539462622 JYSNIXYDPJJQMV-BGYRXZFFSA-N 497.669 2.969 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(C(=O)OC)CC2)CC1 1539475605 JOSICLAAIILQHU-UHFFFAOYSA-N 478.597 2.698 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[C@@H]2OC)CC1 1539482241 KLZZZLPEQISLSC-UNMCSNQZSA-N 453.562 2.789 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1539484670 YLDGZDLCHGKDPI-DEOSSOPVSA-N 477.657 2.740 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(C)on2)CC1 1539489855 POTQIWCKSBRSQI-WOJBJXKFSA-N 454.575 2.507 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)[C@H]1CC 1539580412 YCYKERBUHFWECM-GFCCVEGCSA-N 472.185 2.670 30 10 JFEE C=C(Br)Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539610162 VNOIHESVBPZEOV-OAQYLSRUSA-N 484.439 2.922 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539899909 AVMASOQGABVDHM-GBESFXJTSA-N 479.647 2.886 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1539966558 LEVODXVYZRJYKV-FDFHNCONSA-N 478.707 2.531 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1539968394 ZEYTXJRLPVAPGT-SFHVURJKSA-N 453.634 2.974 30 10 JFEE C=CCCCn1c(COCC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1540014226 JKNXYAVYLKUHSG-SFHVURJKSA-N 497.662 2.689 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1540138026 YPWLNCOHSVPGKT-GOSISDBHSA-N 477.606 2.674 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1540147952 QFKXCXQPQXFSLJ-UGKGYDQZSA-N 467.593 2.997 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540872364 MLMUONLDJOPLKL-HXUWFJFHSA-N 494.640 2.655 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1540900594 AWGHQTRKCQYZHL-APWZRJJASA-N 461.613 2.912 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)c1ccccn1 1541676687 BQNKGRXBZNRRMZ-UHFFFAOYSA-N 486.624 2.983 30 10 JFEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1541687026 CSBGRJALMUDLKR-IBGZPJMESA-N 478.557 2.816 30 10 JFEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1545145009 APGZWYAPCWDJLZ-UQBPGWFLSA-N 452.603 2.915 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(O)CCCC1(C)C 1545533174 FDCGTSFFNBNYEA-MZNJEOGPSA-N 454.623 2.973 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1547743981 DTXGYTGDFXLUJX-UHFFFAOYSA-N 479.629 2.528 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548396167 VGXNUYFZSKOIBZ-RBUKOAKNSA-N 488.514 2.661 30 10 JFEE Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)s1 1564546837 AKTUKQKJQVBCJO-LJQANCHMSA-N 451.552 2.591 30 10 JFEE N#Cc1cn(CC(=O)NCc2ccc(Br)cc2Oc2ccccc2)c(=O)nc1O 1585886061 HWFHRGZEVVUFRQ-UHFFFAOYSA-N 455.268 2.692 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)c1 1587692716 JBRRBEHLJDEQKL-IRLDBZIGSA-N 464.614 2.959 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1587697821 YKJNKHVMPKXDIR-OYRHEFFESA-N 456.635 2.643 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588046047 WDULIJMGIYEMGR-OAQYLSRUSA-N 455.628 2.612 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1588064589 LDEDNRGORBERTP-GOSISDBHSA-N 461.638 2.679 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1588069699 SOLYNIUEYBDMHH-VQTJNVASSA-N 474.652 2.996 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(OC)C2CC2)CC1 1588763335 UYXYBDUGFXMORA-OAQYLSRUSA-N 461.408 2.616 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)CN2CCCC2)CC1 1588871937 SWVVNWOBUFDQPP-JOCHJYFZSA-N 450.631 2.907 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1588930561 ZAUPJNRMWKVOJF-UHFFFAOYSA-N 462.598 2.640 30 10 JFEE C=C(C)COCCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1593769862 SUVYEVAIIKIIEP-VWLOTQADSA-N 475.634 2.752 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1593806516 CCXOUHBTUJDVTB-UONOGXRCSA-N 460.387 2.952 30 10 JFEE C=C(Cl)Cn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593932526 JRRSKVNGNCPPBJ-VGSWGCGISA-N 480.013 2.900 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(COCCOC)cc2)CC1 1594097107 MBSIOBCZWDHYJZ-NRFANRHFSA-N 460.600 2.548 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2C)CC1 1594241393 OYRYJRCAYBSJHT-OAQYLSRUSA-N 477.606 2.704 30 10 JFEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1594803016 LGQJHVVMEXGJJE-UHFFFAOYSA-N 453.522 2.802 30 10 JFEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1)C1CC1 1595054347 HKXGMOJYRHJESD-GOSISDBHSA-N 488.633 2.830 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1595798230 NWMDSJQDODLVAL-QFIPXVFZSA-N 465.019 2.984 30 10 JFEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CC1)S(C)(=O)=O 1615281836 DTVYTXLRGKKKNM-UHFFFAOYSA-N 479.610 2.705 30 10 JFEE CCOc1c(OC)cc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)cc1OC 1616300159 GXLFKUSUBAWJFH-MRXNPFEDSA-N 456.547 2.574 30 10 JFEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1618705464 HTGZMZRKOFJFNK-GOSISDBHSA-N 450.948 2.514 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCc2cnn(C)n2)c1 1619131394 FVLOJZSTXHLPIX-HSZRJFAPSA-N 450.547 2.854 30 10 JFEE COC(=O)C[C@@](C)(NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccncc1 1622040595 DWBLBAIRAHOQPN-QGZVFWFLSA-N 456.293 2.612 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 1625774789 KJHGCQJZNBSYCO-UHFFFAOYSA-N 458.967 2.664 30 10 JFEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 1627388344 GQWYNVNEWAMCSE-HNNXBMFYSA-N 458.540 2.888 30 10 JFEE C[C@@H](CC(=O)NCCc1ccc(Br)s1)/N=C1/NS(=O)(=O)c2ccccc21 1631012604 AKYIZBJWBPACGA-NSHDSACASA-N 456.387 2.687 30 10 JFEE C=C[C@@H]1OCC[C@H]1NC(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1635747860 IIXWCNURSCMXLF-OLZOCXBDSA-N 451.570 2.553 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)c1ccccc1 1649539729 QDAYULJAFXQAMP-OSPHWJPCSA-N 466.611 2.912 30 10 JFEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(CCNC(=O)c2ccccc2F)CC1 1653430481 MCLIXDCHTUSNDX-IBGZPJMESA-N 458.603 2.838 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)C2=O)cc1 1655204327 AVCFJWLYMGTIMO-CQSZACIVSA-N 457.405 2.675 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C(=O)OC)cc1F 1666110182 JTWSNEXJXJQFQN-UHFFFAOYSA-N 454.520 2.636 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 1672708735 RDHUOOWUHLUUQJ-BLVKFPJESA-N 451.321 2.856 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1689879978 NRUUYMABHYWCPS-FQEVSTJZSA-N 469.611 2.743 30 10 JFEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1689926836 YDIWETGLNMHALL-UHFFFAOYSA-N 463.630 2.880 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1689928493 PJHSBHVBWHQKBZ-MOPGFXCFSA-N 458.607 2.898 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689984463 PWOPOKNRHJMXKC-KHOMTPLRSA-N 481.622 2.917 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689997225 YCZUHJAEZCTVDH-BOCKYXSRSA-N 495.045 2.934 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](CC)N2CCCC2)CC1 1690117266 AZDHEVDVQWUZPW-QFIPXVFZSA-N 466.630 2.982 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cnn(C)c2C)CC1 1690117799 WCYWKIHVZPHTKA-UHFFFAOYSA-N 472.366 2.692 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)N(CC)CC)CC1 1690148695 QAVFBOKCXDCIIQ-GOSISDBHSA-N 472.584 2.843 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690307050 NGPKORCLXYTTNB-QFIPXVFZSA-N 466.630 2.979 30 10 JFEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1690321951 PMPMHORGVMRQIH-XMMPIXPASA-N 471.627 2.925 30 10 JFEE C=C(Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690326081 RGSNEGFABDBFHU-ZJSXRUAMSA-N 489.642 2.550 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1690672036 GFOPRGXXFVOZBG-UHFFFAOYSA-N 459.982 2.682 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCC2=O)CC1 1690749437 CYKLUXJDFLQYBE-UHFFFAOYSA-N 474.656 2.780 30 10 JFEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1691881099 GDJHXESZNPWXBI-DEOSSOPVSA-N 492.672 2.538 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1692740310 ANFGTUPMAQAIMZ-XLIONFOSSA-N 458.632 2.806 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CC1 1696165213 BQUPOTWNMAYGJZ-UHFFFAOYSA-N 473.599 2.963 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1705557092 LPBHSVGBRSLWIJ-UHFFFAOYSA-N 459.597 2.583 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705564856 RCJGAGSYKGJEAZ-NRFANRHFSA-N 465.579 2.608 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2ccc(OC)nc2)CC1 1705636322 FZQZWLYRBAZNMZ-UHFFFAOYSA-N 497.397 2.923 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705655056 BUSJEMAEOMEOCC-HXUWFJFHSA-N 451.017 2.980 30 10 JFEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705764371 WPWPPFAROOFRAQ-VWLOTQADSA-N 472.586 2.903 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@@H]1C 1705868115 BRGHUUXEWHDZMX-BQFCYCMXSA-N 451.618 2.521 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705886588 GXNAHPXBAVUVDQ-HNAYVOBHSA-N 476.423 2.601 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705896053 AJXAOISBBPOFQH-IOMROCGXSA-N 486.642 2.513 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705909398 VZIGBCGVRUDISI-NLWGTHIKSA-N 490.649 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705931218 JINULCIRJRHXBS-HRAATJIYSA-N 466.991 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(C)(C)C)C1 1705936966 DDYSPQCAVIJYEX-GOSISDBHSA-N 456.616 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705937040 GRRCQJFQUIILMF-HXUWFJFHSA-N 473.647 2.507 30 10 JFEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1712241928 BMSPHIPYOFPFSI-WMZHIEFXSA-N 457.600 2.850 30 10 JFEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CC1 1712332410 GPUVEXPDLHBEEQ-GOSISDBHSA-N 484.626 2.870 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1N(C)CCCC1(C)C 1722291215 DDCJEHNZYUZBTB-MJGOQNOKSA-N 457.648 2.817 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722326382 STNWCQYSMOFTAJ-CVDCTZTESA-N 453.587 2.923 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722372254 SIDHFCTYTMTLPS-HSZRJFAPSA-N 499.681 2.977 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722372518 YGSSZGDHUGVWOP-IBGZPJMESA-N 469.611 2.792 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCC(OC)CC1 1722375838 HLHLCQGLXDLPJY-UHFFFAOYSA-N 468.627 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(NC(C)=O)nc1 1722398098 XMUYZNDZHUQHJC-QFIPXVFZSA-N 456.506 2.655 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@H]2OC)CC1 1722436620 CVPFYZCCEFXPNU-FCHUYYIVSA-N 486.661 2.963 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1722446812 CIZJTLKDSAYWJK-CJAUYULYSA-N 455.578 2.771 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC2(CCOCC2)C1 1722692017 DPNJAJXLSCKWFY-UHFFFAOYSA-N 484.626 2.552 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCc2cc(C(F)(F)F)ccn2)n1 1726136660 DZQXCIDNWKAHPU-GOSISDBHSA-N 460.464 2.525 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1727091857 DWXIPTSPNQZDBY-HOOSLVGPSA-N 452.559 2.506 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1740615972 OYNCDWUERLZKPC-SFHVURJKSA-N 470.599 2.523 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1740619491 IXGJWRCBEGPMQU-WMZOPIPTSA-N 462.019 2.708 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1740621997 RQVWAWCGSVQEBY-KRWDZBQOSA-N 459.934 2.808 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCc1cnn(C)n1 1740636395 YXBCQSMLXLTUFO-UHFFFAOYSA-N 468.359 2.550 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCN(C(C)C)CC1 1740637609 GLRQGBKHYJCDOF-QFIPXVFZSA-N 498.672 2.701 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1740677194 RFUCWBOOMSTJQS-FPOVZHCZSA-N 477.531 2.917 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1740678283 HXTFIOBCYMOJLB-TZIWHRDSSA-N 470.643 2.745 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1740682207 NLRUUMPQTYPZAZ-KRWDZBQOSA-N 460.376 2.708 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(O)c2)CC1 1740692675 NZXVHZQUTBTNAJ-UHFFFAOYSA-N 455.360 2.555 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1740702985 COVDNBPFABYXFB-BCHFMIIMSA-N 483.588 2.839 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(N(C)C)nc2)CC1 1740703729 CJXPWZASVPHHFH-UHFFFAOYSA-N 461.545 2.559 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1740709893 NMIKUEWDYKZNJS-RTWAWAEBSA-N 458.676 2.971 30 10 JFEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)c1ccccc1 1740801672 ADNUDXACLWXAQM-ILWGZMRPSA-N 453.587 2.863 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740849486 KOKUCIOAWUUFFQ-UHFFFAOYSA-N 470.593 2.784 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1740855067 KYLHLDHQUZNMMT-RTWAWAEBSA-N 453.587 2.873 30 10 JFEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740878851 XUYHDXGCLWKOFH-UHFFFAOYSA-N 452.559 2.559 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N1CCSCC1 1740901844 MXCOCGTVYZSCQU-UHFFFAOYSA-N 472.036 2.608 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1740959589 AKKIIMIKUXESSG-UHFFFAOYSA-N 458.632 2.938 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CS(C)(=O)=O)CC2)C1 1740980500 HNDWOSHBJLPHKO-MRXNPFEDSA-N 466.554 2.753 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cn2)C1 1740982478 UZKSZURXDIGTQI-PMACEKPBSA-N 488.564 2.950 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](COC)OC)C1 1740982873 XWQFYCFZBJBYLF-WOJBJXKFSA-N 479.622 2.835 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1741002429 NFETYJOFSSLXSA-CVDCTZTESA-N 486.661 2.916 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(=O)N(C)C)CCCC1 1748802333 CZGBXNIICJEXFU-HDICACEKSA-N 458.607 2.767 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1748809296 RJTVNOLCZULIIB-RDTXWAMCSA-N 457.556 2.882 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1748817472 LEPBNNFIPXUYEY-FQEVSTJZSA-N 486.638 2.852 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)NCCC 1748836130 QOPAXIBEUGERMU-UHFFFAOYSA-N 458.360 2.705 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCN1CCOCC1 1748869122 USINRIFEVLALEA-UHFFFAOYSA-N 456.388 2.893 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1749116033 YZABOPQRMPNFHM-RTWAWAEBSA-N 474.650 2.872 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1749123092 ANENQRYRZCWMQU-NQIIRXRSSA-N 476.599 2.568 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@](C)(C(N)=O)C1 1749141066 WRFBEGPYMQRWLV-WSUBETFTSA-N 469.586 2.939 30 10 JFEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749219216 ABVXFDXIDASKJD-SFHVURJKSA-N 470.599 2.556 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749232578 POWXKVUXJWUHRA-UHFFFAOYSA-N 473.647 2.953 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1749398747 QLUHWYDYZFKCGJ-UHFFFAOYSA-N 470.599 2.562 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749406278 GJDFXFILKGRJDJ-MOPGFXCFSA-N 458.632 2.783 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1749599461 FXAIYRDDJVTJMG-ZDUSSCGKSA-N 475.434 2.691 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1749670564 TYCGOCQMXWFIDO-PKOBYXMFSA-N 468.558 2.628 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1749738547 PGOISYQAIVGVBJ-IBGZPJMESA-N 481.663 2.963 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1)C(F)(F)F 1751185011 GWZMBYGYXZDFPW-ZZQXMTQJSA-N 466.533 2.801 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760180498 GNESRWATTVXIGO-FQEVSTJZSA-N 464.035 2.956 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1760208479 UECQPWDBDFRCMF-YADARESESA-N 472.659 2.860 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)COCCO1 1760240383 PLPAJTZMOKVTCL-RPWUZVMVSA-N 458.534 2.515 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(F)(F)Br)CC1 1760270478 QBTFSTVUQOIUNV-UHFFFAOYSA-N 496.356 2.831 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760276201 WYOGAXYPLIAWQG-HXUWFJFHSA-N 496.681 2.889 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(CC)CCC 1760289766 UJGKOBYZLGINNK-XMMPIXPASA-N 472.659 2.919 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccc2F)CC1 1760301766 JMERDUYUCKZTIA-HNNXBMFYSA-N 469.359 2.771 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1760352417 QTGULBJNKSHHDI-YWNPBTLJSA-N 481.663 2.655 30 10 JFEE C=C(C)COCCn1c(N2CC(=O)N[C@H]3CCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760361735 QUCXRISIDRZDEJ-YRPNKDGESA-N 488.633 2.889 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760421275 JTMJGQQABGZXKM-UHFFFAOYSA-N 457.542 2.875 30 10 JFEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760424034 UFFLUBSOBRFLRY-FQEVSTJZSA-N 470.603 2.681 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760508902 SVXMGSJTJDJFMV-UHFFFAOYSA-N 479.585 2.918 30 10 JFEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)ccc1Br 1760510460 YYWNHFMNROOLEV-CYBMUJFWSA-N 455.378 2.774 30 10 JFEE C=CCn1c(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513928 KKGYDZJHBUHRPA-AREMUKBSSA-N 482.629 2.882 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](COC)C1 1760516266 KDIHDFVVCSJDMU-IEBWSBKVSA-N 477.993 2.842 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1760555812 OBBRTRBEZOOEJK-REWPJTCUSA-N 460.600 2.527 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOc1ccc(Cl)cc1 1761234206 HBZSCDJKRLHVBF-UHFFFAOYSA-N 494.987 2.742 30 10 JFEE CC1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 1762948184 DTDFJPBTWGUVTF-HXUWFJFHSA-N 467.618 2.810 30 10 JFEE CCCN(CC)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765987746 HJWFFBXQFWBGGW-UHFFFAOYSA-N 459.602 2.974 30 10 JFEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(F)c(Cl)c2)C1 1771360656 DHYABGLTDSPVFL-IBGZPJMESA-N 496.996 2.582 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCNc2nccc(C(F)(F)F)n2)cc1 1771534577 HEUAMGZRIMUKOS-UHFFFAOYSA-N 488.474 2.876 30 10 JFEE COc1cccc(-c2c(C)nc(N3CCCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2O)c1 1858583777 NDTPVKCRCXZOBP-UHFFFAOYSA-N 479.562 2.939 30 10 JFEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1861834609 QTKQBVGEOZGYPP-JOCHJYFZSA-N 457.486 2.719 30 10 JFEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862467716 UWCCLCNBAQXIOE-GOSISDBHSA-N 465.384 2.858 30 10 JFEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc(F)c2)c1 1862556175 QHLNMLLRPJFICK-QFIPXVFZSA-N 495.532 2.876 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc(OC)c(OC)c(OC)c1 1862636089 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1286490542 XNBMICKUVGAQJA-FQEVSTJZSA-N 451.619 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(N(C)C)CCCC2)CC1 1286492426 LAKFESKIQWYYFV-UHFFFAOYSA-N 482.604 2.836 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286495130 RNHYCLZNCOQHCN-WOJBJXKFSA-N 488.633 2.645 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286510178 KUGIXIAGGIPVBW-JOCHJYFZSA-N 483.638 2.614 30 10 JFEE C#CCSCCn1c(N2CCC(NC(=O)c3ccoc3C)CC2)nnc1[C@]1(OCC)CCOC1 1286511858 DZBIFTMDQUIAPK-DEOSSOPVSA-N 487.626 2.597 30 10 JFEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1286594112 AGWZZMRLPYUMBO-UHFFFAOYSA-N 451.619 2.659 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2C)CC1 1286645676 GXHFADXENMLEQL-OAQYLSRUSA-N 459.616 2.627 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1286726651 HBBPJUBDZKVYTM-QZTJIDSGSA-N 457.579 2.983 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1cc[nH]n1 1286742977 XKNOSCZKIMUJQZ-UHFFFAOYSA-N 467.537 2.866 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1286782922 HTCQHMOHIFIRLG-UHFFFAOYSA-N 453.528 2.886 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2ccnc(C)n2)CC1 1286783691 YZTKZXGOXMIHNB-UHFFFAOYSA-N 487.395 2.979 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1286790570 NLNCNWZDWRIJSA-UHFFFAOYSA-N 478.641 2.985 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCc2cccs2)CC1 1286793697 JVKQVTLUAUSHRY-IFMALSPDSA-N 486.686 2.925 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nccn2C(F)F)C1 1286804163 LXXQAWKNXYLDPN-IIBYNOLFSA-N 452.506 2.740 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286817248 LIWNMAWGYNGKDU-QFIPXVFZSA-N 485.654 2.870 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1286832203 QOWLSALVXPUAMK-MOPGFXCFSA-N 494.662 2.611 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1286970368 CHOJKVQDABUOKU-FOMLNJCSSA-N 450.609 2.857 30 10 JFEE Cc1nc(SCC(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)c(C#N)c(C)c1C 1299734303 BPHKEYRWUMKBFU-UHFFFAOYSA-N 456.637 2.851 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCN(C)C1 1300282232 NNZAHTNNDVUXBW-DJJJIMSYSA-N 452.784 2.886 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300504485 NTQLMHYOEIKUDZ-RDPSFJRHSA-N 474.627 2.508 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1cc(Br)cn1 1300603450 RQYRVFWXTVGBPO-HXUWFJFHSA-N 465.396 2.828 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1300711865 JFKQOUSCLIXIEX-KRWDZBQOSA-N 460.623 2.702 30 10 JFEE C#CCSCCn1c(N(C)C[C@@H]2COc3ccccc3O2)nnc1[C@]1(OCC)CCOC1 1300777533 XVVJYTRXGFFFCO-JPYJTQIMSA-N 458.584 2.573 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1300801877 DUNAPVIPEMOZSA-IQGLISFBSA-N 496.616 2.538 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOCC)CC1 1300834698 VIRQJOMKJPUEOU-UHFFFAOYSA-N 464.364 2.741 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1300877185 WOVZHIFNJAGQNB-RTWAWAEBSA-N 472.634 2.626 30 10 JFEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301002146 VIYKRNAKFRFEPY-KRWDZBQOSA-N 459.572 2.813 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301206434 BKTNYVBLDVXRRS-LJQANCHMSA-N 497.625 2.712 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1301223151 NPPBZRFECPWJRD-RTWAWAEBSA-N 459.616 2.789 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1301528490 CSPQMAIPVROLAN-ICSRJNTNSA-N 489.642 2.754 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301531280 IBENBRJUVRPPAC-CLOONOSVSA-N 469.586 2.599 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1358956971 NKKDAQAHVBVFKW-MRXNPFEDSA-N 492.399 2.921 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358958038 GJKNTMDCSSHNDH-QWQRMKEZSA-N 479.400 2.924 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358959348 HCSCUXLUOFCMJQ-LMNJBCLMSA-N 460.600 2.642 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCCc1cnn(C)n1 1358974302 YMJJLJCRWFCRPK-UHFFFAOYSA-N 456.323 2.681 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(F)(F)F)n2)CC1 1359047862 WHFYBSSUNUTRBU-QGZVFWFLSA-N 462.476 2.558 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSc2ccccc2)CC1 1359048453 RAMMHLSRFITCHC-UNMCSNQZSA-N 483.638 2.760 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1359050966 IKUZUWWGYANDCW-LJQANCHMSA-N 484.651 2.833 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359053183 DQFVBZARRDPHSR-UHFFFAOYSA-N 472.634 2.831 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(COC)CC1 1359058228 WDEGXOOLNWAGAZ-LJQANCHMSA-N 479.647 2.816 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1359089825 POMPEFRBKKMIHB-SIKLNZKXSA-N 468.602 2.733 30 10 JFEE C=C(C)Cn1c(N2CCN(Cc3cc(F)ccc3OC)CC2)nnc1[C@]1(OCC)CCOC1 1359124842 GPGBKHVUMZOMLM-DEOSSOPVSA-N 459.566 2.976 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCN2CCN(CC)CC2)CC1 1359161955 WTTTWCBMFQIGEL-UHFFFAOYSA-N 486.686 2.923 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1359194430 VGMPWURPUFRRRR-UXHICEINSA-N 459.616 2.790 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1359240722 WLLCHMLINFQPEA-FPOVZHCZSA-N 459.616 2.648 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC)C1CC1 1359251874 XUVIWVUMLYJLKJ-IHPCNDPISA-N 477.606 2.793 30 10 JFEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1359285666 ZKHNARRVABEYQA-HZPDHXFCSA-N 476.965 2.930 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359311101 QFXZQVNNDILGFK-UHFFFAOYSA-N 480.638 2.754 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)N2CCOCC2)C1 1359314533 COLNNMVWGVKSAB-OAHLLOKOSA-N 496.431 2.799 30 10 JFEE C=CCSc1ccccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1449277783 ZZGYUYBAKDIQOF-SFHVURJKSA-N 453.612 2.541 30 10 JFEE C=CCn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nnc1-c1ccc(F)cc1 1458823096 IWPXVACBOCIKQB-UHFFFAOYSA-N 459.469 2.841 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)ccc1F 1466450576 HVZRSPRDUNQVIL-GJZGRUSLSA-N 455.552 2.760 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc3ccccc3)CC2)c1C#N 1466921143 FKWIASPYZVPDIZ-OAQYLSRUSA-N 452.559 2.590 30 10 JFEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCn1cc(Br)cn1 1492901159 GKVMQKPGBJFQJH-UHFFFAOYSA-N 459.327 2.583 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1507513472 KBEUZEOOGOLSSE-PXNSSMCTSA-N 456.591 2.629 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nnc(C)s1 1507538177 KSVYOMZMPHSTHA-RDJZCZTQSA-N 475.619 2.837 30 10 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cc(C)nn2C)CC1 1507734236 JPZWVJQNJZFLNI-UHFFFAOYSA-N 496.413 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2conc2COC)CC1 1507740334 LWMAYACDIASBKO-UHFFFAOYSA-N 492.580 2.622 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1507763958 IATIOTKGLDOVPE-AUUYWEPGSA-N 471.505 2.827 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507912431 HZZKLKISNCRMSA-KNQAVFIVSA-N 466.634 2.716 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508074979 OADYYNHERPKKJS-ZJCBTPCYSA-N 453.587 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1508138243 YXRKWGJIVPOMEL-UHFFFAOYSA-N 466.611 2.572 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCOC(C)(C)[C@@H]1C 1508148049 FNAFPFQBBJVGLC-INIZCTEOSA-N 452.552 2.601 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(c2nc3ccccc3o2)CC1 1508148786 KDCWXHGZPKKVTO-UHFFFAOYSA-N 459.572 2.941 30 10 JFEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1509295804 BESBDCCVXZDUFO-UHFFFAOYSA-N 457.600 2.771 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 1518825319 IDLKYRZRDVLQKR-GHTZIAJQSA-N 455.555 2.505 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC[C@@H](C)C2)c1 1539038101 LOGQKUGUIAPEAQ-RTWAWAEBSA-N 491.640 2.691 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1539206180 MVXMLNQCLZYHGO-PMUMKWKESA-N 497.390 2.873 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539230042 BJEXRLPPFQRBGN-WOJBJXKFSA-N 460.575 2.873 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1539431534 VDSSIYWVKZZYJQ-BKMJKUGQSA-N 472.678 2.584 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1539477459 NCNYVAPNGKAALG-QHCPKHFHSA-N 464.614 2.823 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1539539783 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1540897410 IJVCLTOMNXUAFF-YOEHRIQHSA-N 492.495 2.926 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1540899115 DKTRDMRZNSJILX-UHFFFAOYSA-N 486.554 2.682 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C(N)=O)CCOCC2)C1 1555986220 GASFNPDMJNGAHM-NRFANRHFSA-N 497.358 2.888 30 10 JFEE C=C(C)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 1563363914 IEAXKISMINHQPH-UHFFFAOYSA-N 456.524 2.589 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1ccnc1C 1587575178 QXWAFGLPJVEFQZ-MRXNPFEDSA-N 454.604 2.600 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1c(CC)nn(C)c1OC 1587575195 RHSAESNDTXYQKF-CYBMUJFWSA-N 460.380 2.857 30 10 JFEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1587803928 QEFFMRFMTOXLOD-UHFFFAOYSA-N 480.613 2.703 30 10 JFEE C#CCCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587893549 FTFAKBDUYHHVFS-OTWHNJEPSA-N 454.579 2.895 30 10 JFEE 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455.536 2.582 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 1630561702 XYKRVZLOKRXVJE-QGZVFWFLSA-N 459.031 2.765 30 10 JFEE C=CCN1CCC(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)CC1 1632867957 DFNHYUOIVRURDL-UHFFFAOYSA-N 458.422 2.906 30 10 JFEE C#CCCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)CC1 1634351467 TYNOJFHUZFMYKY-UHFFFAOYSA-N 457.621 2.713 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC 1637032965 DWUHLUAWZIQGRA-UHFFFAOYSA-N 455.536 2.887 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3C[C@](C)(OC)C3(C)C)nnc12 1638434537 HJRQOQCZGAQQNI-SBUREZEXSA-N 455.584 2.984 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H]1CCN(CCC(=O)OC)C1=O 1640706482 RGRSELJOMFVXNT-INIZCTEOSA-N 450.948 2.953 30 10 JFEE N#C[C@H](CCc1ccccc1)C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1641461718 ASVNGGWBOWRQOM-VWLOTQADSA-N 459.594 2.841 30 10 JFEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)OC 1649639375 CRNUPXIVOMMUOJ-RTWAWAEBSA-N 475.615 2.947 30 10 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C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689993788 LOSBWAUKPPEJTJ-FUHWJXTLSA-N 457.625 2.728 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(C)n(C)c1=O 1690001240 HSTCADFLVSRLEL-FQEVSTJZSA-N 459.550 2.945 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1690124752 SQXPATHMNJTORU-SFTDATJTSA-N 472.634 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(OC)c2)CC1 1690137636 FTKWCKHJXSXVKF-HHHXNRCGSA-N 495.624 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2nc(C)cc2C)CC1 1690152780 XOKHPCWITWWMJL-UHFFFAOYSA-N 493.587 2.866 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690317293 XXUUQOIZORUUKR-UHFFFAOYSA-N 467.599 2.584 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNC(C)=O)CC1 1690411331 KAGGPFCFHUFCOC-LJQANCHMSA-N 462.595 2.515 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nccn2C(F)F)C1 1690711513 BXFMBHMSMDBQCS-CQSZACIVSA-N 463.514 2.691 30 10 JFEE 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C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507634904 QWOHGQNBWSAYNK-XMMPIXPASA-N 483.682 2.926 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1507639584 LEGBJOVCTBIEHS-IAGOWNOFSA-N 489.598 2.883 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507640849 WYDFEQDIGSXMSS-FCHUYYIVSA-N 485.654 2.585 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507646108 PZURKHCZVRVPME-VJBWXMMDSA-N 486.576 2.914 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)CC 1507672438 BQQGCHKNCJFFLV-UHFFFAOYSA-N 479.400 2.517 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(COC)CCC2)CC1 1507718327 ONZGMUYNFAISPV-UHFFFAOYSA-N 461.408 2.618 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(C)CN(C)C2=O)CC1 1507721517 UWUJQHLJJMLUHY-NRFANRHFSA-N 491.821 2.595 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1507744880 XPJTUDHRLKGVHS-UHFFFAOYSA-N 483.001 2.667 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507829796 GCTXEMKNXVYVFA-UHFFFAOYSA-N 499.641 2.501 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1507983918 YQNHRNVVFKPXCT-GOSISDBHSA-N 470.599 2.867 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1508077827 RAQHONMJYVJUNO-VBKZILBWSA-N 496.431 2.846 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1508086611 NSXGSAPDVUNOGQ-IBGZPJMESA-N 452.584 2.822 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508092458 QAJLLIZTKADGRP-DFIYOIEZSA-N 469.586 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CCN1CCOC(C)(C)C1 1508133247 GIVVELCCIBBTSO-UHFFFAOYSA-N 487.626 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCCC2)C1 1508149177 PHFJGJFSAFGRSL-UHFFFAOYSA-N 476.599 2.616 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1509430306 DZYOFKSWKZBDKN-UHFFFAOYSA-N 493.637 2.998 30 10 JFEE 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492.672 2.965 30 10 JFEE CCCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1547005705 FCRSELBRDZWPHM-QHCPKHFHSA-N 451.619 2.708 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOc3ccc(Br)cc32)s1 1557453656 OXXLPQYQCHSXGV-UHFFFAOYSA-N 457.371 2.943 30 10 JFEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1587842662 TTZWXEQKEWWJGD-OAQYLSRUSA-N 474.613 2.581 30 10 JFEE C#CCCCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1587872276 CWZDSUICNJJBQQ-DENIHFKCSA-N 454.644 2.723 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 1588029426 HUIIMQNTTHYYGL-HXUWFJFHSA-N 497.621 2.812 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1588041235 VYKYFEIYLFOSCB-QGZVFWFLSA-N 457.581 2.638 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588059507 PAFHKDBFFPXRDS-COPCDDAFSA-N 458.628 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1588254295 UCHVOKYMCLJMBO-HXUWFJFHSA-N 471.652 2.766 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](SC)C(C)(C)C)CC1 1588762392 HPFPUYFZVGKIGF-FQEVSTJZSA-N 475.684 2.882 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1588930164 OVFJPDVYEBKEJM-NLFFAJNJSA-N 457.619 2.561 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)C2CC2)CC1 1588968816 QKSKYFXWQUABCO-VWLOTQADSA-N 483.638 2.706 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1589164131 QQPAJGHEGLDLQV-RPWUZVMVSA-N 472.611 2.763 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1589547854 WPVCSPSTEYHGTI-QPPBQGQZSA-N 458.651 2.592 30 10 JFEE C=C(C)Cn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593683320 KHLCGEFTVDLXQQ-SANMLTNESA-N 483.613 2.795 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595366574 GUIJHDUTWWEJOG-LJQANCHMSA-N 468.602 2.671 30 10 JFEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1595434771 PPMJVGDNESCUDI-UHFFFAOYSA-N 453.547 2.512 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1595577225 LVBDZWVWGNIOEP-GOSISDBHSA-N 480.535 2.849 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595577619 YVGVLHPFNIRBGJ-INIZCTEOSA-N 471.949 2.888 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CC1 1595955836 DPLADXZYFRYLDZ-UHFFFAOYSA-N 451.556 2.681 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1611664297 BGYYVSLKPCSYNV-QGZVFWFLSA-N 467.599 2.769 30 10 JFEE Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)o1 1613556074 BFXIUOVTJCAAQE-LLVKDONJSA-N 459.471 2.936 30 10 JFEE CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NC(=S)Nc2cccc(C#N)c2)cc1 1616125140 CNHIKULANOVAIQ-XRXFAXGQSA-N 466.519 2.831 30 10 JFEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN[C@H](C)c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 1617881053 FQLVJYOUFMXZRM-FGTMMUONSA-N 456.568 2.645 30 10 JFEE C=CCN(C(=O)Nc1cc(F)c(I)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1623016441 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C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC(F)(F)F)CC1 1690365747 FPGSYPJFVCPLRK-UHFFFAOYSA-N 461.286 2.881 30 10 JFEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1690447444 PAZXBHQCMRJULV-HXUWFJFHSA-N 452.559 2.649 30 10 JFEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690510084 SHXRQQVYBCCHFL-UHFFFAOYSA-N 464.545 2.958 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC1CCCCC1 1690526168 YJHHFGLSVKAFIM-UHFFFAOYSA-N 452.607 2.913 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690632583 DPNXHNUBCAKCRH-OXQOHEQNSA-N 473.419 2.882 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CN3CCOCC3)C2)cc1 1690678267 QDMDNKJPWJAJJP-JOCHJYFZSA-N 482.629 2.578 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)C(=O)NC)C1 1690699883 KMIJJWUXHJKVLZ-LJQANCHMSA-N 490.649 2.946 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 1690719677 PZLSPUWUZIGGLC-QGZVFWFLSA-N 492.005 2.641 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690743786 FPLYRINDFCWWQG-QZTJIDSGSA-N 492.646 2.953 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC 1693956029 CPSRQFNQVBHUHS-NZQKXSOJSA-N 479.629 2.622 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1694228574 DHNLUHIXGKWADI-GCJKJVERSA-N 496.637 2.650 30 10 JFEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CCOC1 1697227768 DZFKJVSSDXWXQV-CPJSRVTESA-N 466.586 2.753 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCCCC2)c1 1705506057 ZCFYGXCEXOZPNS-UHFFFAOYSA-N 474.613 2.999 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705561140 QJPHVIIBTZWVJQ-ROUUACIJSA-N 460.600 2.678 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1705596645 KBWKBRCYOWZVKK-IBGZPJMESA-N 470.618 2.628 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCCC1 1705627792 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Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2366853381 MOYMCHWYHQGZPW-XYJFISCASA-N 457.380 2.817 30 10 JFEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3C)n2N)cc(OC)c1OC 20919508 WTEGMKBHQZSUND-YSURURNPSA-N 489.533 2.642 30 10 JFEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc1OC 21317276 IERDVHWKNQDOQH-XMWJKPIOSA-N 469.571 2.815 30 10 JFEE COc1cc(/C=C2\Oc3cc(OCC(=O)N4CCC[C@H]4C(=O)O)ccc3C2=O)cc(OC)c1OC 33492082 ZLRLAEHNABHLQB-DUPIZPNJSA-N 483.473 2.783 30 10 JFEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccs2)c1C 102536787 QYQFODXZLPAODE-HUZQBFDWSA-N 487.578 2.624 30 10 JFEE COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(OC)c(OC)c2)cc1 254742138 XOEMTVYRSXCRJP-XLIONFOSSA-N 476.576 2.623 30 10 JFEE C=CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516373942 YHNZMAKPPKDKDO-HRAATJIYSA-N 465.619 2.919 30 10 JFEE CCOC(=O)c1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)cc1 526695202 TXZCVDQRCFGSTG-UHFFFAOYSA-N 480.546 2.548 30 10 JFEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(O)c2)cc1 526743004 VLPNVTGMRRDWCY-SFHVURJKSA-N 456.501 2.884 30 10 JFEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCc2ccc(C#N)cc2F)C(C)C)c1 609229593 DCFQDQGBYGTPQT-QFIPXVFZSA-N 488.585 2.799 30 10 JFEE C#CC[C@H](COC)NC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757484765 FJZVVVFKKQWUKI-UZUQRXQVSA-N 464.518 2.913 30 10 JFEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)CCN1C(=O)COc2cc(Br)ccc21 915519893 MIEIBZGFAKJUTK-CQSZACIVSA-N 451.317 2.697 30 10 JFEE COc1cc(NC(=O)CSc2nnc(NN=Cc3cc(Cl)ccc3O)n2N)cc(OC)c1 1084013343 NANVLAQTGHYZNR-UHFFFAOYSA-N 477.934 2.545 30 10 JFEE C=CCOc1ccccc1CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1126233840 CUEPCDVSSOGKKW-UHFFFAOYSA-N 456.568 2.637 30 10 JFEE CC[C@@](C)(COc1ncccc1Cl)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1137692058 AJHKRTPDBFMGEL-FQEVSTJZSA-N 450.948 2.528 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 1165507267 CUHWGSYQMWQBRO-CEXWTWQISA-N 450.576 2.985 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC[C@@H](C)C2)c1 1286308383 ISMVYEJVYINYPM-WOJBJXKFSA-N 479.629 2.593 30 10 JFEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286354679 ROJLLDMXWNDQGT-UHFFFAOYSA-N 463.483 2.952 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCN2C2CCCCC2)CC1 1286472949 XTAGNRKXMVTFMS-GGAORHGYSA-N 458.651 2.554 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CSCCS2)CC1 1286491769 ASQUOHWNWMZNHZ-OAQYLSRUSA-N 485.679 2.980 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCOC1 1286530802 DRYJNAWPQXTAHC-CQSZACIVSA-N 455.378 2.730 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286537495 DLCZOZNYSFNUNQ-INIZCTEOSA-N 466.384 2.832 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1286537979 HFJXCFSEANIMCA-ZDUSSCGKSA-N 466.336 2.932 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1286540757 DEXDUHMNURFKQA-HNNXBMFYSA-N 484.376 2.676 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286604301 HXAMILOKEPQYPA-MRXNPFEDSA-N 478.351 2.898 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286667427 JXLWDNZKRQMEMG-OKZBNKHCSA-N 496.678 2.794 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1286699626 FXHCMDTYVLVYRV-NRFANRHFSA-N 490.649 2.854 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1286699992 JJCRHUDKPIDEGG-PMACEKPBSA-N 496.033 2.809 30 10 JFEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@H]2C1 1286714566 SHKKVKOYRJGKLG-INIZCTEOSA-N 481.384 2.970 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286779648 KYYPXLVPNCJXNZ-KRWDZBQOSA-N 458.994 2.590 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN3C(=O)CC[C@@H]3C2)cc1 1286794687 ODAVIIJNRSXSCY-HXUWFJFHSA-N 466.586 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286821310 HANABZOKHOHEEP-PZJWPPBQSA-N 460.600 2.626 30 10 JFEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286834207 CSIHKIZXUNPNPZ-JOCHJYFZSA-N 484.670 2.828 30 10 JFEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cccs2)CC1 1287136699 FWBXWHMRANERBJ-UHFFFAOYSA-N 463.611 2.973 30 10 JFEE Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)s1 1290698559 GJZUPRCULHEVES-UHFFFAOYSA-N 452.588 2.858 30 10 JFEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300393967 LUHAPOMKGDRUNG-UHFFFAOYSA-N 478.641 2.637 30 10 JFEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1300412860 IWBUQYPQQZLJHK-GOTSBHOMSA-N 492.668 2.917 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300497696 CGHFXXVYVCLEAH-SFHVURJKSA-N 469.542 2.842 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300505306 ZKGZAXVWHDGMLU-MOPGFXCFSA-N 490.651 2.636 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1cccc(Cl)c1 1300511412 IQGXPXZGOJOANT-RPWUZVMVSA-N 456.974 2.953 30 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469.977 2.780 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1301515204 RGZWTNPLJJQSMQ-SFHVURJKSA-N 488.564 2.792 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)C1 1301555164 ULGISAORKGHWEO-CJNGLKHVSA-N 451.449 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)=O)CC1 1301568429 GSRRPXPCBDWKAH-INIZCTEOSA-N 496.033 2.777 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301587346 ULFCAUHEKFPAPE-BKSPAHHJSA-N 488.654 2.827 30 10 JFEE N#CCCN(CC1CC1)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1303013264 AONNIPWTQWOLHR-UHFFFAOYSA-N 491.365 2.836 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1303635123 ACWHNBILZKNUCP-KURKYZTESA-N 480.635 2.566 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)n(-c2ccc(F)cc2)c1C 1307830188 FGDRLNVRNDFBBJ-IBGZPJMESA-N 459.547 2.762 30 10 JFEE C#C[C@H](NC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1 1312736318 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C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540874557 KZHLBHMYZIRGMX-GGAORHGYSA-N 483.613 2.975 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC(C)C)C1 1540884817 VKQGVNSMOHEOTB-MRXNPFEDSA-N 465.396 2.742 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC=C(Br)C1 1540899416 NMUQPQGFEYCAGT-UHFFFAOYSA-N 482.360 2.943 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1540902981 VIFKSBNGGHGFNY-UHFFFAOYSA-N 466.629 2.576 30 10 JFEE CC[C@H](C)[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)OC 1545279303 IBEPUTQGWSWZBE-SNRMKQJTSA-N 460.966 2.651 30 10 JFEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@H]21)S(C)(=O)=O 1547574816 AGTUXVDQOCGZSW-PZJWPPBQSA-N 472.615 2.779 30 10 JFEE CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1(C)C 1548033954 GLLJSVBJDCSGDJ-PMACEKPBSA-N 454.575 2.847 30 10 JFEE CCn1ccc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@@H]2C(N)=O)n1 1548380317 VWGSYAGNJUKFGY-LJQANCHMSA-N 474.487 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460.582 2.695 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2cnn(C)n2)CC1 1588752111 PQWGXRZKCYDHQC-SFHVURJKSA-N 468.993 2.588 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNc2ncc(Cl)cc2Cl)CC1 1588849096 YUCNQRHZVRGXQA-UHFFFAOYSA-N 471.396 2.833 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC)CC1 1588930408 VOLPAWOHCCVIBK-IBGZPJMESA-N 458.607 2.768 30 10 JFEE C=C(Cl)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593932117 FJGWJYCVCXENED-CNNODRBYSA-N 454.015 2.618 30 10 JFEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1594615306 HEHPBIWAZYYHQC-VXKWHMMOSA-N 452.603 2.877 30 10 JFEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1595034024 VIJKIYBPGDZANQ-OAHLLOKOSA-N 467.542 2.983 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1595119650 CKTVJXQXGYFMPR-UHFFFAOYSA-N 470.593 2.957 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CN2CCOCC2)CCCCC1 1595218854 PHBKXDRFRSYSJI-OAQYLSRUSA-N 477.675 2.641 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1595219886 ZKVPIDHPYKBRDE-OAQYLSRUSA-N 452.584 2.652 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(Br)cc2C1 1595570129 YIKKWYCZYCILIM-UHFFFAOYSA-N 484.402 2.767 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCO[C@@H]2C)C1 1595754966 RSMSBEWXHUNDQD-PNCHPQGNSA-N 460.600 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(F)F)C1 1595799019 VTOZAXSKFDTGLK-GOSISDBHSA-N 495.600 2.534 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1611750252 HWYSBEALQZOUPR-HNAYVOBHSA-N 479.990 2.625 30 10 JFEE CCCn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNC(=O)C(C)C)c2ccccc2c1=O 1614896904 BVHMTEAZIZHQHZ-AREMUKBSSA-N 490.612 2.967 30 10 JFEE N#Cc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5cccc(F)c5)n4)CO[C@H]23)c1 1616131084 DIBQQLHNLQPZBJ-GXRSIYKFSA-N 460.469 2.923 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NCCc3ccccc3N3CCOCC3)ccc2c1=O 1635884372 WWKFVHWZYHJOEE-UHFFFAOYSA-N 450.564 2.680 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCc2c(cccc2NS(C)(=O)=O)C1 1644391679 GBIKKGREMCBRCK-QGZVFWFLSA-N 456.568 2.760 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689996003 BTTDYGQFZWPNHO-UYAOXDASSA-N 492.692 2.641 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1690085802 GIYGHSFTGYWXLY-DEOSSOPVSA-N 471.627 2.533 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCn2ccnc2C)CC1 1690125614 JHXRQESNLBLWFV-UHFFFAOYSA-N 453.541 2.888 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CCC(OC)CC2)CC1 1690152584 QERVXFXTJOCMFV-UHFFFAOYSA-N 481.645 2.701 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1)c1ccccc1 1690444954 OZOKZHXLZAOIHN-NRSPTQNISA-N 459.616 2.817 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncccc1N(C)C 1690555718 BAUASKBYSSLNKO-HXUWFJFHSA-N 461.570 2.940 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC)C1 1690571717 HBTCHEJXSZKDSR-AZUAARDMSA-N 461.607 2.854 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1690665612 JYRUHQWIQYWGLH-UHFFFAOYSA-N 470.618 2.964 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1690715064 BVVMKFMVMZDVTF-QGZVFWFLSA-N 461.636 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCSC2(CCOCC2)C1 1690726995 RXCRQIDIFLODQB-UHFFFAOYSA-N 454.662 2.714 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690748993 NMWIYEAXJFKFRC-SFHVURJKSA-N 461.599 2.560 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C2CC2)CC1)S(C)(=O)=O 1691015793 GGXZHJCHDBNZLH-MSOLQXFVSA-N 470.643 2.949 30 10 JFEE Cc1ccc(SCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(=O)N(C)C)cc1 1693160549 DLXJFTXXBZTIGC-UHFFFAOYSA-N 490.637 2.950 30 10 JFEE CCCN(CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(=O)OC(C)(C)C 1695337318 FFWINWXLPAFNGP-KRWDZBQOSA-N 469.594 2.610 30 10 JFEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1695503492 AYQBEKOFDHJFNO-NRFANRHFSA-N 452.559 2.602 30 10 JFEE COc1ccc(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)[C@H](C)CC#N)CCC2)cc1 1697332764 BZVGXTCLXLJZNT-IAGOWNOFSA-N 460.604 2.757 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1698087561 GKEMCDAWCMAHMH-HSZRJFAPSA-N 465.646 2.953 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1705514841 KDYONJFVBOWCNV-FQEVSTJZSA-N 477.613 2.635 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1705570020 JODKXXBGICEKKU-GOSISDBHSA-N 477.631 2.845 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1705576631 NZNNLKNTUVKEOF-HXUWFJFHSA-N 470.595 2.781 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1705590457 LXKIBARCRFVDBJ-CJFMBICVSA-N 473.618 2.942 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 1705599151 ILBDCXUXDFZTTG-UHFFFAOYSA-N 458.541 2.751 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1705678232 SHLQQBXIOCZCJO-MQAYTSPESA-N 464.501 2.515 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705727081 DWYUYIZHWZIIPA-UXHICEINSA-N 499.685 2.663 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C 1705869302 RDDOOTPVPXLGEE-SGIRGMQISA-N 491.702 2.886 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1705926384 CJQMESQRFSFDBL-NHCUHLMSSA-N 453.587 2.768 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)nc2)C1 1705929634 UWGPZXDBBYWHOC-QGZVFWFLSA-N 454.556 2.503 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C(=O)NC 1705940967 UWTYWZNUOXEOOU-CYBMUJFWSA-N 455.426 2.784 30 10 JFEE C[C@@H]1CCCC[C@H]1OCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1708046272 HSEGJHIJKVCUQT-NFBKMPQASA-N 496.612 2.619 30 10 JFEE C[C@H]1CN(CCCn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1708243584 BIKCXGGCSIEYHA-FXAWDEMLSA-N 489.418 2.937 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccs1 1708751246 CSFNOUSHBZOWRS-UHFFFAOYSA-N 464.599 2.900 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1722294736 RXOXLZULMSIEDF-RBUKOAKNSA-N 464.570 2.889 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCCCO2)c1 1722304954 BOPGYHRMPNGCAR-NRFANRHFSA-N 487.564 2.941 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCNC(=O)C(C)(C)C)c1 1722306263 ZWZKZHAEPLVIJX-UHFFFAOYSA-N 461.570 2.502 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCCCCC2)c1 1722309904 QXYZJTDLBCEWMW-OAQYLSRUSA-N 478.597 2.631 30 10 JFEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722331599 LTTUKTZQGXGLBJ-GOSISDBHSA-N 454.600 2.616 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722361185 XMCPWNIPTXKVND-INIZCTEOSA-N 493.561 2.986 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722372372 VFQXDUKRAGXUBH-NRSPTQNISA-N 467.595 2.792 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCc1nnc(C)s1 1722423088 WIOVNYHYKQFWPA-GOSISDBHSA-N 453.547 2.801 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1722445245 UUSWUFRZGKFWMP-MRXNPFEDSA-N 482.576 2.917 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1722446821 CRKNYJDRJOHWOP-QGUBCYKSSA-N 481.597 2.554 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC(=O)NC 1722454002 GZECTZCHCIGNSL-UHFFFAOYSA-N 466.405 2.655 30 10 JFEE C=C(Cl)Cn1c(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1722558144 GAJOPEKVGAKZMQ-ZRCGQRJVSA-N 467.058 2.678 30 10 JFEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722569537 DHPSFYLCYWAYTF-UHFFFAOYSA-N 460.600 2.516 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC1CCOCC1 1722691848 AWTHDYSOSJTPJW-UHFFFAOYSA-N 454.575 2.702 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722697713 NKGRTSPKWISUPH-SFHVURJKSA-N 469.590 2.726 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H]1CC 1722701438 PVMJRWHRCNPQFC-GGAORHGYSA-N 465.646 2.570 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)cc1 1722704971 QWWUWHZKQSVOBD-FQEVSTJZSA-N 477.631 2.706 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1722726944 HFGQTUWRIKLZDR-KRWDZBQOSA-N 460.629 2.819 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723023907 HRGFPTHAOHKQFM-ASPBEGMCSA-N 471.631 2.660 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CCO1 1723700528 GCYDRXWIHXKJQY-GBXCKJPGSA-N 451.527 2.948 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1726858941 CBCUOZQPUCEPJS-XMSQKQJNSA-N 483.592 2.799 30 10 JFEE COCCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730620129 GAKHZIJEPIXYIG-LJQANCHMSA-N 475.601 2.703 30 10 JFEE CS(=O)(=O)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1731003205 CIIBZOWNWZFCSU-UHFFFAOYSA-N 486.001 2.626 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(CC(C)C)C2)c1 1740563330 SKYXNNZKMRNDSI-FYYLOGMGSA-N 491.640 2.653 30 10 JFEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740573568 RVWQBRASXYSDCQ-DVECYGJZSA-N 484.595 2.939 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740620304 VHLQIPZUAQLJIC-MRXNPFEDSA-N 458.918 2.507 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(F)(F)Br 1740684936 GHARNTRQOYVBDK-UHFFFAOYSA-N 484.349 2.526 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)CC1 1740688738 IHBGBGQPKMNRFU-UHFFFAOYSA-N 495.628 2.761 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1740701514 JYNCPTBYCYMXDV-UTKZUKDTSA-N 489.979 2.755 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C2(CCC2)C1 1740787799 LUAPVGFHSMJGEP-SFHVURJKSA-N 459.616 2.923 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(O)CCN(C)C2)CC1 1740820749 PWAHDAPKECGRPH-NRFANRHFSA-N 462.392 2.939 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2COCC)CC1 1740840077 RZOLDEAMUVIEEV-QFIPXVFZSA-N 489.642 2.598 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1740969768 AWBHQLKLBJUVDW-ZWKOTPCHSA-N 462.595 2.597 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1740990154 KBJXUQGGXFSZLD-LJQANCHMSA-N 492.964 2.706 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)C1 1741030289 CXPJATHFMUOPSM-QHCPKHFHSA-N 479.629 2.909 30 10 JFEE CCCC(O)(CCC)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1745286458 AJIGFMCOUOILEZ-UHFFFAOYSA-N 467.618 2.946 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748775007 BOJWXECVMGTBMY-CYBMUJFWSA-N 486.823 2.712 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1748808665 FSYGSQDMVLOKSE-VQTJNVASSA-N 491.061 2.885 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1748819071 JWVPFATTXTUHSY-QFIPXVFZSA-N 498.678 2.683 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)[C@H](C)CC 1748892548 QVNIEKRIBYCDBT-RNHFSVANSA-N 473.618 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1749019545 YSPLLOLDNZHRDR-PXDATVDWSA-N 493.608 2.813 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749038911 YZJDTVBSIWOETQ-AABGKKOBSA-N 490.674 2.626 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749199227 JYWCAZZFGBQOLB-UHFFFAOYSA-N 464.595 2.869 30 10 JFEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749276991 WVWUQYXJUNKQJW-CQSZACIVSA-N 455.979 2.763 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1749285091 VTTYNNXQQSQJFC-YTQUADARSA-N 451.015 2.699 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749354739 XZCDBOOIXJBTBB-VQTJNVASSA-N 450.587 2.569 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749367076 PUBQDIHVBZSPGZ-VXKWHMMOSA-N 460.667 2.616 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1749368986 VTEAUPAZZQCWLS-HXUWFJFHSA-N 455.559 2.864 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749402155 KQOILXKWOLXYQI-MUGJNUQGSA-N 451.637 2.982 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1749530222 VITCPWSPCSRXRI-QHCPKHFHSA-N 475.597 2.837 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1749591784 YMISHXDPQCJREA-SFHVURJKSA-N 461.570 2.970 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1749739491 CTFXULSUJJPHBJ-GOSISDBHSA-N 499.431 2.756 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2C[C@H]1CO2 1749740308 UFMBAILPUNZYHY-IRXDYDNUSA-N 464.613 2.547 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1760185110 PYDNNCFMPLOBOD-GOSISDBHSA-N 457.506 2.953 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(C(N)=O)c1 1760212061 RCHIUXOWTLFQRY-UHFFFAOYSA-N 479.382 2.851 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(=O)N[C@@H](C)CC)CC1 1760254612 CLKWXZLKTYSKOI-IBGZPJMESA-N 459.598 2.862 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCC=C)CC1 1760254858 NHBWWVJBZJWNFW-UHFFFAOYSA-N 455.632 2.658 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1760262437 OHXITQCMLCXTFV-NHCUHLMSSA-N 471.049 2.777 30 10 JFEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760308396 CYXSSGIPTYKVQT-KRWDZBQOSA-N 467.456 2.955 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760311650 WGTYYHMQFNMPHC-MRXNPFEDSA-N 466.405 2.667 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1760356468 OEHVHCIYZUTEAJ-OALUTQOASA-N 476.622 2.905 30 10 JFEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1760363092 DWYGTTFNWWELDG-HKUYNNGSSA-N 483.560 2.966 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760369562 NUUZNWPGTYMRAL-AWEZNQCLSA-N 451.756 2.982 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2COCCO2)CC1 1760389242 GMCKTHYKDAMTIV-MOPGFXCFSA-N 463.579 2.548 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760393325 NEFLKFPXPZDJED-GHVJWSGMSA-N 464.526 2.549 30 10 JFEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1760455635 UVGXEBORJXUFTB-AREMUKBSSA-N 469.630 2.946 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760506507 BSFMSGBHPQNGBU-MRXNPFEDSA-N 457.510 2.595 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760512619 VJEBTJQTOKDVIH-MRXNPFEDSA-N 489.418 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@](C)(CC)C1 1760552945 GWZKTFWEPSEZQY-QFIPXVFZSA-N 464.588 2.568 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760568874 WBYMEZJIPIYBGT-KSZLIROESA-N 476.647 2.984 30 10 JFEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1771372748 GCKFKGCIMAPXKJ-QGZVFWFLSA-N 467.643 2.747 30 10 JFEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n1 1858763209 QBRIWMISTXCQFL-UHFFFAOYSA-N 460.531 2.613 30 10 JFEE COc1ccccc1CNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858978160 YQZIFZOJLUCNIB-UHFFFAOYSA-N 492.557 2.727 30 10 JFEE CN1C(=O)COc2ccc(N[C@H](CCOc3ccccc3)C(=O)N3CCC(C=O)CC3)cc21 1860591912 JCRKDXLYRZJRQT-OAQYLSRUSA-N 451.523 2.729 30 10 JFEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1I 1861016937 IZLYBHGIUSSZDG-INIZCTEOSA-N 473.355 2.742 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCN2CCOCC2)cc1O 1862420702 QHNMWSMKBVKCSF-JOCHJYFZSA-N 488.487 2.980 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1Cl 1862439343 BAKHEIWTTNPCQM-LJQANCHMSA-N 474.853 2.980 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(Cl)c1 1862453877 KAGVNOTZJIDRME-LJQANCHMSA-N 474.853 2.980 30 10 JFEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc2c(c1)OCCO2 1862462267 YUCGLHHXSQWMQU-HXUWFJFHSA-N 476.407 2.590 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(F)cc(F)cc1F 1862466730 ZOZFLCWOLVTGJH-IBGZPJMESA-N 494.378 2.744 30 10 JFEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862571783 OQACOUTYUNOQCS-QFIPXVFZSA-N 452.507 2.981 30 10 JFEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc(Cl)c1O 1862743521 ZEBKVKNKERURBL-SFHVURJKSA-N 489.868 2.677 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C(F)(F)F)nn2CCC 1864325760 OZWGLXHOENLPRI-HNNXBMFYSA-N 466.460 2.680 30 10 JFEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 1868626842 ZYXRILPOWIPXQJ-SFHVURJKSA-N 453.992 2.979 30 10 JFEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870992521 VHCGWSNYCQIYRX-FQEVSTJZSA-N 456.499 2.571 30 10 JFEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1871009539 ZUZLLAMNHBMJHO-UHFFFAOYSA-N 466.563 2.768 30 10 JFEE C=CCN(CC=C)S(=O)(=O)c1ccc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1872725564 PEDXEGHRQQNBKF-UHFFFAOYSA-N 496.589 2.865 30 10 JFEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873673972 ZJCHQSNSHARVFN-UHFFFAOYSA-N 478.509 2.877 30 10 JFEE COc1cccc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1OC 1874277226 NIMQCOCLPWJIFB-DXRSZSRVSA-N 461.588 2.766 30 10 JFEE COC(=O)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccccc1C(=O)O 1874310559 BZVVFNRERGUCKA-YDZHTSKRSA-N 454.508 2.917 30 10 JFEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCCCN3CCCC3)ncnc21 1875230727 LSHJEOZHDMRRTG-UHFFFAOYSA-N 458.607 2.640 30 10 JFEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(Nc4cc(OC)ncn4)CC3)n[nH]2)c1C 1889870851 DOSITMPSIVOTLV-UHFFFAOYSA-N 450.547 2.981 30 10 JFEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1890906386 HSPXUJJQFIXDQP-HXUWFJFHSA-N 492.066 2.980 30 10 JFEE COC(=O)N1CCC(CNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1891149853 SZBIMUWAPBXUQK-SFTDATJTSA-N 458.584 2.546 30 10 JFEE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cccc([C@H](C)C#N)c5)CC4)ncnc32)c1 1891685127 DILDKMOWIZNOKA-QGZVFWFLSA-N 468.521 2.809 30 10 JFEE Cc1nc(I)c(I)n1-c1c(N)ccc(F)c1C#N 2028590418 JLLHXPLNPSDBBV-UHFFFAOYSA-N 468.011 2.983 30 10 JFEE C=C(Br)CS(=O)(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 2054342753 HEDGZVFWUDDUPJ-UHFFFAOYSA-N 452.396 2.764 30 10 JFEE CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CCOCC1 2124537732 BDFQVKOQXWGDBJ-BJWYYQGGSA-N 450.385 2.859 30 10 JFEE COc1nc(N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)ncc1B1OC(C)(C)C(C)(C)O1 2172786341 ZJZMRAOEJMYVJI-PMACEKPBSA-N 450.392 2.743 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180985941 VOAHGTMKUXJSGC-XMMPIXPASA-N 460.380 2.628 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180991271 LJTQGDXFCPETHW-MRXNPFEDSA-N 459.356 2.692 30 10 JFEE CC[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247950651 CDRURFWKIUZEGF-ZDUSSCGKSA-N 460.427 2.629 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CO1 2255746087 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C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)COC)c1 1286309066 OMGCMAGFQDLECR-UHFFFAOYSA-N 475.553 2.654 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1286388975 XFKIHLVFGALWJL-HRAATJIYSA-N 499.420 2.684 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNC(=O)c1occc1C 1286407684 ZYFGKZACHAWRKA-UHFFFAOYSA-N 467.533 2.925 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@](C)(O)c1ccccc1 1286442783 MRZUEULIVPQSSA-XMMPIXPASA-N 466.611 2.996 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCO[C@H]1C(C)C 1286462244 HZLDROFKPZEOMK-FPOVZHCZSA-N 488.658 2.775 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(CC)CCOCC2)CC1 1286473381 LCVQBPQWMFBDLP-UHFFFAOYSA-N 483.613 2.933 30 10 JFEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286530603 PTQSYOVNQAKWOF-GJZGRUSLSA-N 496.749 2.884 30 10 JFEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1286542956 YNOSUCRFEVZLFG-GJZGRUSLSA-N 472.384 2.720 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)CC1 1286544078 DAMWJACIFGTSQN-UHFFFAOYSA-N 463.409 2.603 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1286751489 QOAFEUQSRHQVQD-PCCBWWKXSA-N 458.607 2.512 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286817882 YZQGTJIOLQVQMB-MRXNPFEDSA-N 479.578 2.788 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286818092 UAIBESFOQJFWLU-SJORKVTESA-N 455.625 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1 1286825227 OJMWFUMPDTVZDT-KRWDZBQOSA-N 453.609 2.797 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNC(C)=O)CC1 1286826325 DPBBJNJSYALXEJ-UHFFFAOYSA-N 477.656 2.620 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1288124443 CPZUNTFUOCQAGC-HXUWFJFHSA-N 469.537 2.706 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1288513484 FJKJSILNVOHJNS-RDTXWAMCSA-N 466.464 2.675 30 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2.818 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1301578369 YNMGMXVQFXWEDW-UHFFFAOYSA-N 481.622 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301592561 ABAZIILSQVVATN-HNNXBMFYSA-N 484.047 2.526 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1301609132 DCKWGRPSJWSCSA-INIZCTEOSA-N 450.515 2.502 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1301643207 CJIVNSYZTUEBFA-UHFFFAOYSA-N 463.517 2.758 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCC(OC)CC2)cc1OC 1314177702 ABQQSYDVRHSTEH-NRFANRHFSA-N 498.628 2.971 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1314539272 FUKDDRRDXLJRRU-XMMPIXPASA-N 486.642 2.882 30 10 JFEE C=CCN1C(=O)c2ccc(-c3nnc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)o3)cc2C1=O 1350011763 SQYSRUKNDGLRCS-UHFFFAOYSA-N 464.503 2.970 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358958196 JLWBUSBFQMXTFV-RBUKOAKNSA-N 484.578 2.949 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358958542 QMMGEMFTWRAACX-HNNXBMFYSA-N 499.406 2.634 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358991467 CAJCFYVRTDSDFE-FQEVSTJZSA-N 455.570 2.612 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(=O)NC1CC1 1359009682 WEYNCRUTPFHHJY-GOSISDBHSA-N 458.607 2.911 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC(=O)N(C)C2CCCCC2)n1 1359027534 MVPXTOCUFJFIAR-UHFFFAOYSA-N 469.634 2.849 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@](C)(O)CCC)CC1 1359038974 RWGHZGUCMZGURT-QFIPXVFZSA-N 476.419 2.926 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCN1CCOCC1 1359051235 QDDYIZXPEJKGHZ-UHFFFAOYSA-N 464.433 2.842 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1359054349 RWUGISQCEQEOMZ-UHFFFAOYSA-N 459.620 2.929 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1359141468 IBNPKLJVXPBOJQ-JKSUJKDBSA-N 452.987 2.908 30 10 JFEE 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C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1508001503 ULWFZQJVFNHARD-FQEVSTJZSA-N 457.600 2.532 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1508007732 HGAPIBGNDUPNJQ-LAUBAEHRSA-N 481.713 2.872 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCOCC2)C1)C(C)C 1508013097 LVMCUKGXPBVKRR-LEWJYISDSA-N 456.635 2.935 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1508057704 IPTXAAACCIPBFU-MSOLQXFVSA-N 473.647 2.945 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1508058431 VRXFYTREUIBAOB-CQSZACIVSA-N 458.510 2.972 30 10 JFEE CC(C)(C)OC1CC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1508677369 HHKLBFWPSYSYBE-UHFFFAOYSA-N 486.642 2.882 30 10 JFEE C[C@@](O)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1510233286 GODVIGIKRGSJOJ-FZKQIMNGSA-N 463.361 2.734 30 10 JFEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1517589988 HXGPXNQAVGFQHF-VQIMIIECSA-N 467.574 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482.585 2.973 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740536983 QFVHSZZBSDGOHK-QGZVFWFLSA-N 480.569 2.675 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN2CCCO)c1 1740563668 WVBLPTIPNMEMND-QHCPKHFHSA-N 487.608 2.552 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Br)cc2C1 1740591407 OXIPBGRMXFJKKH-MRXNPFEDSA-N 463.401 2.919 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N2CCSCC2)CCCC1)[C@H]1CCS(=O)(=O)C1 1740617615 ULLLMKQFEUQQGO-UXHICEINSA-N 479.716 2.780 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740618944 DRKMDUOLFCVYLI-INIZCTEOSA-N 496.008 2.527 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1740627911 UAAWXXRGBUHKFO-PMACEKPBSA-N 451.681 2.860 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1740628455 XQUBGWLBILPGIW-LJQANCHMSA-N 471.627 2.749 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCO1 1740656876 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C[C@@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1743029362 HGVMGFSSZOMRLB-CTNGQTDRSA-N 466.586 2.993 30 10 JFEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)OC 1744165514 GPOXQXJXUSOPQW-JOCHJYFZSA-N 478.601 2.600 30 10 JFEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1744840062 HISPSLGWXDKBMW-UYAOXDASSA-N 452.559 2.602 30 10 JFEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C[C@H]1C 1746372557 CAKBGEJTJWHJRY-UXHICEINSA-N 451.619 2.846 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCOCC1 1748669357 XLSRGXRCLTZMAJ-OALUTQOASA-N 460.623 2.571 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CC[C@@H](F)C2)c1 1748694220 AXRXMMFUGXITTR-RBUKOAKNSA-N 452.534 2.595 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CN1CCCC1=O 1748852819 MNJSOSLLALXGHY-UHFFFAOYSA-N 458.591 2.877 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCC(OC)CC1 1748960003 DDBLZXXFVGPLBC-UHFFFAOYSA-N 478.597 2.966 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1749006578 SQCQIHUFJJFPTK-RUZDIDTESA-N 479.606 2.889 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1749019677 DAVIYUQKGULBSA-UHFFFAOYSA-N 478.578 2.872 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749038913 YZJDTVBSIWOETQ-AQNXPRMDSA-N 490.674 2.626 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749044708 UDUJAOPZUNJVDH-JOCHJYFZSA-N 450.612 2.840 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Br)cs1 1749193870 RYOIHVAPCPSDAZ-OAHLLOKOSA-N 490.449 2.648 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749213343 JFCBOIYMMQSZEZ-HIFRSBDPSA-N 465.352 2.563 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1749223005 ORRKPQMFXKHVFX-LJQANCHMSA-N 493.612 2.920 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749253362 MTVUDQCAJIQNCS-CQSZACIVSA-N 453.772 3.000 30 10 JFEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1749277427 BMKRCXRGDFFMBX-UHFFFAOYSA-N 457.926 2.522 30 10 JFEE COCc1nc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)cs1 1749447224 BMYIRBRUOFTFOR-KSSFIOAISA-N 458.519 2.937 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(C(=O)NC)c1 1749467585 UCVSPACUFPBTNQ-UHFFFAOYSA-N 481.626 2.771 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1749671466 BJCOJKJHXQIAMH-LJQANCHMSA-N 455.513 2.697 30 10 JFEE C#CCCCn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159566 KLJWXUSAOCMRRC-RUZDIDTESA-N 467.618 2.972 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760165797 FIOHNIIFMGZGAH-UHFFFAOYSA-N 478.372 2.588 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760185382 WKOROXJFXTUKLB-QAPCUYQASA-N 486.516 2.548 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760189027 FSSARVPBZDQDKY-QFIPXVFZSA-N 499.681 2.769 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760191916 OLWOLKCUNSFOCD-RBBKRZOGSA-N 474.627 2.772 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760192816 YDUJJSHMBRPZSJ-CPJSRVTESA-N 498.605 2.601 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOCC(F)F)CC1 1760267266 XQGJHGJODJUAET-UHFFFAOYSA-N 496.356 2.955 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760274141 IYXFJLQQJVSHCR-GOSISDBHSA-N 485.610 2.538 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1760313184 KJHGQPLMNAANGT-SXLOBPIMSA-N 470.961 2.571 30 10 JFEE C=C(C)Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@@]1(OC(C)C)CCOC1 1760349335 IEOKAPUWDNKGLL-XMMPIXPASA-N 453.543 2.627 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760353323 NTUGFRFKDAXSOU-UHFFFAOYSA-N 482.629 2.681 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1760478246 ASUNXWGUTHQHGH-GTJUCTONSA-N 494.683 2.929 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccco1 1760478580 MFIUKBARLXSQLR-UHFFFAOYSA-N 473.537 2.601 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1760495015 CINRGXBHHWKMKQ-INZIPBBXSA-N 453.609 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)CCn1cccn1 1760550568 BMGRFOABYGHIIV-UHFFFAOYSA-N 479.404 2.641 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1760559885 UYYNJCBGUYVPRT-UHFFFAOYSA-N 450.572 2.566 30 10 JFEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1761629889 AMNRYSYWUUVNDW-UHFFFAOYSA-N 490.515 2.920 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1764995426 FRTUPDSYYWNYPH-GOSISDBHSA-N 451.918 2.659 30 10 JFEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1769044566 HKCWCFCZCWRPBC-INIZCTEOSA-N 461.448 2.591 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1772660558 RNODHIABZGHSGA-UHFFFAOYSA-N 471.627 2.775 30 10 JFEE 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2.864 30 10 JFEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@@H]2COC[C@H]21 2364944124 UJMQFQMSBFAPDK-WOJBJXKFSA-N 455.364 2.682 30 10 JFEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CCO)COCc1ccccc1 2369482359 KXGLUULBDCOHIE-OAQYLSRUSA-N 456.392 2.895 30 10 JFEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2N)c1 20527496 DXRWIXGBUOPAFZ-YSURURNPSA-N 498.594 2.695 30 10 JFEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 23772016 CTCDZSHMRFILGM-CQSZACIVSA-N 461.565 2.574 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)CC1 27165519 RBFQQKHBLWPMNB-UHFFFAOYSA-N 474.561 2.979 30 10 JFEE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1OC 59812887 NVFFGGHUZKMGDF-SSDVNMTOSA-N 469.527 2.957 30 10 JFEE Cc1cccn2c(=O)c3cc(C#N)/c(=N/C(=O)c4ccccc4F)n(C[C@H]4CCCO4)c3nc12 102919083 PMFBTPTWOARKDX-HIKRULHHSA-N 457.465 2.889 30 10 JFEE 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(Cl)[C@@H](O)C[C@@]21C 136153432 XHCFMNLEYHEXKU-WJSUBCRMSA-N 450.959 2.736 30 10 JFEE C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccco4)c(=O)n32)cc1 252677503 YYRVBXQJJSWCLJ-OAQYLSRUSA-N 450.516 2.956 30 10 JFEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 609074961 VNFTZVIBRXRHKW-UHFFFAOYSA-N 471.504 2.795 30 10 JFEE CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609257124 UKFHEZZTLYMRGZ-UHFFFAOYSA-N 488.541 2.526 30 10 JFEE CC1(C)OB(c2cnc(CNC(=O)c3cc(I)ccc3O)s2)OC1(C)C 714599449 AOYLLKBBJYTYNA-UHFFFAOYSA-N 486.140 2.683 30 10 JFEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 725764616 ZTGZZJKSOMYYOT-UHFFFAOYSA-N 483.933 2.894 30 10 JFEE C#CCN(C(=O)c1ccc2c(=O)n(-c3cccc(C)c3C)c(S)nc2c1)[C@H]1CCS(=O)(=O)C1 729332255 LSZLOIBCWWRHSL-SFHVURJKSA-N 481.599 2.554 30 10 JFEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)OC 757206014 CQQYDDKRBKLEON-AVIJNYRZSA-N 464.518 2.911 30 10 JFEE CCOC(=O)c1ccc(N=C2S[C@@H](C(N)=O)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 1084055011 SBJCICCIODVGQI-GOSISDBHSA-N 455.492 2.599 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1ccccc1F 1084265571 QVTGLLMZTAPKSF-UHFFFAOYSA-N 460.407 2.937 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)n2)cc1OC 1084450833 LTKCTCQWQRPWQX-UHFFFAOYSA-N 485.526 2.627 30 10 JFEE C#CC[C@@H](CCOC)NC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1233928769 SLOOOZHFSWZEKI-BQFCYCMXSA-N 473.467 2.809 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1286351559 FKIPQMKOVOFSOF-LJQANCHMSA-N 498.584 2.555 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286383968 FUGBQPVXIKVZIZ-NQIIRXRSSA-N 483.569 2.822 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286397001 ZZTIUKALHGXWLQ-HNNXBMFYSA-N 470.492 2.819 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCSC1(C)C 1286400795 GRSWMKUWFYNOJW-LJQANCHMSA-N 471.652 2.800 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)c2ccccn2)CC1 1286469473 GSFCGWXKBKFXTA-UHFFFAOYSA-N 492.027 2.990 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286482259 OBWAFLVIKUKYRE-SFHVURJKSA-N 464.511 2.647 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2OCCC2(C)C)CC1 1286492423 KYDBMMFXTQBVAN-OAQYLSRUSA-N 469.561 2.777 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286509895 DZMOYBHSRNOSEX-KRWDZBQOSA-N 459.572 2.509 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1286515887 RAAVQTYVBLLFOZ-RTWAWAEBSA-N 479.507 2.843 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286566422 MTFPPKJMZFOIMT-HOKHCIIBSA-N 480.613 2.867 30 10 JFEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1)c1ccccc1 1286681758 SQDKNTWWFFARKE-OAQYLSRUSA-N 450.587 2.865 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286688318 QGIMVTBPTINFJF-SFHVURJKSA-N 474.587 2.771 30 10 JFEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286698935 KYZXNVJFPPOVFQ-SFHVURJKSA-N 496.678 2.829 30 10 JFEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1286785072 AGPUEPUWLVPTBL-DLBZAZTESA-N 465.558 2.538 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1286792234 RMDBBAATZNSYJV-OAQYLSRUSA-N 490.612 2.671 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C(N)=O)CCOCC2)C1 1286801694 FZRSLMFYALFYTN-CQSZACIVSA-N 496.431 2.833 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCOC2)C1 1286801720 GTIGSLDDWNABSQ-LAUBAEHRSA-N 463.376 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H]1C 1286814789 GYSUAFZZHQBMST-HZPDHXFCSA-N 464.588 2.806 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)C1 1296410796 BRNRCAOABSIYAJ-RTWAWAEBSA-N 451.575 2.872 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300501304 JAYMGYMQIHYEOQ-GOSISDBHSA-N 488.411 2.816 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1300501851 NWMMNHBDDYTOAF-XXBNENTESA-N 488.635 2.675 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300502123 QYMWVOGERWWWTG-WWNPGLIZSA-N 470.639 2.895 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1300504954 WPJPSFCMFLAPHP-JOCHJYFZSA-N 479.606 2.738 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300506106 MKDOMRFMJJUCBZ-RBBKRZOGSA-N 472.611 2.839 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CSc3ccccc32)CC1 1300715839 FTEHXZLTBNQSSA-UYAOXDASSA-N 483.638 2.857 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](COC)OC)CC1 1300718337 KOEHAUIVWMRCBK-KRWDZBQOSA-N 480.396 2.879 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1300779459 WXUSIOVRZDDUJA-IANOAQMISA-N 462.579 2.844 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1300852686 CALJRAUOXUSBGN-KRWDZBQOSA-N 452.422 2.998 30 10 JFEE C=C(Br)Cn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1300863437 OELPIKHDQBTVDM-OAQYLSRUSA-N 482.423 2.820 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1300876057 RHWBALSOZCGABO-CWVYHPPDSA-N 465.542 2.504 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1301029008 DOQNRDMJIKSCLK-UHFFFAOYSA-N 459.938 2.558 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301045021 QJAONAVSQHDBSR-UHFFFAOYSA-N 464.948 2.644 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[S@@](=O)C(C)(C)C 1301337649 JYEPBVVQEPRXNN-PSTIOWGYSA-N 459.616 2.978 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC(C)C)C1CCCC1 1301496847 INDBTPJYOSBKCW-UHFFFAOYSA-N 473.647 2.945 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1301508689 QSASCKXBBLEIPP-FQEVSTJZSA-N 450.587 2.802 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301520479 YANVISQXQQBLGC-KRWDZBQOSA-N 489.989 2.795 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(N)=O)CC1 1301531230 GEEIVIAJBYEXGU-UHFFFAOYSA-N 463.586 2.845 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1301615812 WYLXSROKQYNZAY-SZPZYZBQSA-N 497.713 2.810 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301622407 GDQSTVHQWXCNSS-IFMALSPDSA-N 490.718 2.860 30 10 JFEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C 1303290844 FDUJPTNXQYPZHG-UHFFFAOYSA-N 487.674 2.797 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1303781843 BGHJAMCBFQMSLG-HXOBKFHXSA-N 475.615 2.539 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCS1 1305204892 DJZCUBSVOYGIFC-UYAOXDASSA-N 456.616 2.517 30 10 JFEE CN(CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C)CC(F)(F)F 1314867290 ICOZDKLMCUMFMJ-UHFFFAOYSA-N 450.513 2.663 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCCC2)nc1 1314962177 BXRGAUJAYKGFHP-IBGZPJMESA-N 488.596 2.591 30 10 JFEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ncc(Br)cc2Br)c1 1356473842 CBZCRBUMVPQOMY-UHFFFAOYSA-N 451.118 2.981 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(=C)Br)c1 1358901607 QHEIQTBZYFEBGM-UHFFFAOYSA-N 454.332 2.643 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1358934017 MXZDHNPCNMJFES-NRFANRHFSA-N 458.360 2.892 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1358961192 SXOYSRZTTQJNEP-MOPGFXCFSA-N 453.568 2.676 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OCC 1359001798 DESCEPPRDLPTBP-UHFFFAOYSA-N 467.599 2.848 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1CCC(OC)CC1 1359006894 MVTSBJZJFAZJSC-UHFFFAOYSA-N 487.674 2.587 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1359039655 QKIPASIHUSMVFX-FCHUYYIVSA-N 466.630 2.741 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1359044613 KDTCPAJTTOBZSK-IBGZPJMESA-N 488.633 2.789 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(C)cc1 1359099345 MNBGGWAJSJXNKC-URVUXULASA-N 474.627 2.985 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1359117059 ATNDRURMLOQFMG-MRXNPFEDSA-N 470.640 2.690 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359183696 RKJAMTPQYIMNHZ-MRXNPFEDSA-N 470.640 2.548 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C)C1CC1 1359251888 YFVDWIGJBGZNSA-NRFANRHFSA-N 459.616 2.625 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359309230 LMDWCDYSRCBSIJ-UHFFFAOYSA-N 486.580 2.623 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1359330199 KIVCPPJXAXAJIC-UHFFFAOYSA-N 492.646 2.720 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1S(C)(=O)=O 1360762182 BILLUANDDNOXRE-IXDOHACOSA-N 464.567 2.720 30 10 JFEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1470787000 NSLILKFBWBEBPO-MJGOQNOKSA-N 451.589 2.855 30 10 JFEE CCN(CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1502204859 GISXQIWMLGVVEL-HXUWFJFHSA-N 486.573 2.851 30 10 JFEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 1503378490 BLSYDQIARHCBDD-WOJBJXKFSA-N 470.624 2.804 30 10 JFEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1504616392 FCWTXTNRZIGOCJ-UHFFFAOYSA-N 457.600 2.894 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCSC1 1504873327 DYVSJQVUGWFTIW-DEOSSOPVSA-N 464.595 2.657 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](c1ccco1)N(C)C 1507519216 QJKACCZYZQALQB-SJLPKXTDSA-N 469.615 2.900 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1507627218 RGAJTVSMLNSZBT-SFHVURJKSA-N 481.416 2.761 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1507697905 FBQKELCEYPTNAF-QHCPKHFHSA-N 459.591 2.664 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCOCC)CC1 1507734933 DGWYMCACOBNBDC-UHFFFAOYSA-N 459.978 3.000 30 10 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C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539946704 COZNEIOSVNUNFR-UHFFFAOYSA-N 481.988 2.874 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1)C1CC1 1540108957 MTHUAHNXDGUZIB-QGZVFWFLSA-N 475.581 2.999 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1540127335 QYGZVTRYLVXXFI-RPBOFIJWSA-N 453.587 2.990 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1540170475 OLFUYTXAZHFJOA-HXUWFJFHSA-N 484.601 2.995 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1540855855 BNFAEWAZQYHHPR-WOJBJXKFSA-N 482.629 2.775 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(=O)OC)CC1 1540863476 XEGZAEDFRVJWLJ-HNNXBMFYSA-N 461.950 2.763 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876173 JFFPFTYWPAGIQT-BKMJKUGQSA-N 488.677 2.713 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1540876580 VVMOLGJASBAHDP-CEXWTWQISA-N 474.606 2.658 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)CCO1 1541744160 HTXBYJNBAOMJHR-JOCHJYFZSA-N 461.570 2.956 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCS2(=O)=O)C1 1541987568 BGYGJFPBEAVTGK-OAQYLSRUSA-N 480.541 2.712 30 10 JFEE Cc1nc(C)c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)s1 1542883317 ASGGMMKKSCJMMA-NRFANRHFSA-N 489.602 2.759 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1(CS(C)(=O)=O)CC1 1554164958 CVRDIPPVFDPJNX-UHFFFAOYSA-N 450.568 2.597 30 10 JFEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@H]2CCCCO2)CC1 1555812438 BZPXKMKXCHLSLS-OAQYLSRUSA-N 472.615 2.684 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 1556509440 HDFPEDOWYHLEBS-FRQCXROJSA-N 451.589 2.915 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 1568115129 XIZMJYBPCBTVMP-NVXWUHKLSA-N 459.996 2.896 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 1587751679 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MAFKZOIDSXQYLE-UHFFFAOYSA-N 452.558 2.884 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 1667345266 KYPWRIJJHPUTBY-UHFFFAOYSA-N 453.561 2.581 30 10 JFEE C#CCn1cc(CNS(=O)(=O)c2c(Br)cc(F)cc2Br)cn1 1670257010 FZUYKYIBNUMHNM-UHFFFAOYSA-N 451.115 2.659 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1689918163 SYPVQXPVIOYEIS-UHFFFAOYSA-N 462.514 2.700 30 10 JFEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1689944302 OXORGIZSYARNNL-LJQANCHMSA-N 452.603 2.535 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1690032809 JXRDCKHEMPYWPR-LADGPHEKSA-N 496.681 2.654 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H]1COCCO1 1690088264 GQIHFZXHHBOMMJ-QPPBQGQZSA-N 458.534 2.515 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(OCC)c2)CC1 1690113334 GWNIWEDPHTXORY-SANMLTNESA-N 467.614 2.715 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2ccccc2F)CC1 1690138102 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C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1690597056 ILJWKOWJJVTMST-FQEVSTJZSA-N 490.649 2.876 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1690620384 ZRQYQYPLICCHQC-ROUUACIJSA-N 452.559 2.503 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1690673787 DQDHCSNXXHEDPE-KSSFIOAISA-N 458.613 2.964 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1690683089 BCRPEHDYZNBZJK-WOJBJXKFSA-N 460.600 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690718049 ZISCUIYPZJEGPP-RDTXWAMCSA-N 498.447 2.651 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1690723428 RHUVXGPCOCEPSE-UHFFFAOYSA-N 459.616 2.619 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690736516 HLHYAUXBFQAJSJ-FQEVSTJZSA-N 485.614 2.515 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](OC)C(C)(C)C 1694347808 HQYWFBUSDIMKKL-HXUWFJFHSA-N 482.633 2.851 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1705559793 BLBFEXYOXHHJMN-HNNXBMFYSA-N 498.472 2.948 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1705568808 VMSIZQSATMMYTD-LJQANCHMSA-N 470.551 2.524 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705568870 WNCPWATWDMDRQY-QGZVFWFLSA-N 489.598 2.712 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1705570334 OYZGLFKOPLXLHA-PKOBYXMFSA-N 463.554 2.716 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1705571425 ZIXQPHOGOXRMFV-UNMCSNQZSA-N 488.679 2.984 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1705602271 ORLQSMIKUULHSR-YADARESESA-N 459.591 2.601 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1705625245 CZXJQHUZKVPCDP-QFIPXVFZSA-N 482.604 2.898 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705641827 VPKYCHDQBRKMJH-WIOPSUGQSA-N 451.615 2.888 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 1705650670 WRXDMKXJQJHJTH-GGAORHGYSA-N 465.598 2.658 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnn(C)c1 1705705915 MYVKPEBGFHXGAV-YLJYHZDGSA-N 455.588 2.621 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705706715 YPERMERFFOIZLM-KNKQGSTJSA-N 458.632 2.968 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705720344 PKYQGHBLLLGXDB-LSDHHAIUSA-N 453.996 2.695 30 10 JFEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705817860 UQBNPAYDBCEDRR-OALUTQOASA-N 496.678 2.877 30 10 JFEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705826108 NZJMMYVNTCFNJL-QGZVFWFLSA-N 491.522 2.586 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nccc(C(F)F)n2)C1 1705917595 WHVPAIZZNWACCW-AOMKIAJQSA-N 464.517 2.876 30 10 JFEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccco1 1706902456 BNAHUYPMVPOSGV-GBXCKJPGSA-N 499.593 2.633 30 10 JFEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](C)C2)CCC1 1710321742 HPJVANWGURSWSX-QGZVFWFLSA-N 454.600 2.977 30 10 JFEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1711008863 AEHQTAJWYKYSDV-UHFFFAOYSA-N 461.570 2.960 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722282011 PGZFLAIHJVIWOR-OAHLLOKOSA-N 456.503 2.605 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCN2CCCC2)c1 1722306559 CHEHQGUWDLTVEM-UHFFFAOYSA-N 457.582 2.806 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1722386570 CFYDLLUSYUHLTF-QFIPXVFZSA-N 458.566 2.947 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1722441666 NGFKLOVCECCINP-UHFFFAOYSA-N 494.086 2.804 30 10 JFEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722455361 KGIFQSWRSFUQGW-UHFFFAOYSA-N 466.655 2.618 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1722475535 VFKAVTUHDPNQGZ-GBXCKJPGSA-N 489.617 2.720 30 10 JFEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722479841 HVPJYCJJFZVZOE-HNNXBMFYSA-N 468.421 2.886 30 10 JFEE C=C(Br)Cn1c(CC)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1722483223 AXEGVCONXBIIGG-CQSZACIVSA-N 454.373 2.552 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1722504087 YZLRRQIHFDIVRH-UHFFFAOYSA-N 460.629 2.598 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722520406 MTCFXDVROQWAOS-GOSISDBHSA-N 458.950 2.950 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnn(C)c1C 1722536965 JIIIKEIGSZBFPB-UHFFFAOYSA-N 465.606 2.723 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)cccc2C)CC1 1722565943 GDTLDWOFBWNUOO-OAQYLSRUSA-N 459.616 2.627 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722603947 QPBBKQKBNMFHPG-IBGZPJMESA-N 474.631 2.657 30 10 JFEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722609738 DSEWZQAOJKCTJJ-HSZRJFAPSA-N 466.630 2.767 30 10 JFEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1722687061 GBCYEOPBTLFXLZ-IEBWSBKVSA-N 457.648 2.637 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCN(CC)CC2)C1 1722716421 UYOLPKBTHFMHDE-IBGZPJMESA-N 492.466 2.845 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1722724969 JYTWIBUOFQACQS-BRWVUGGUSA-N 455.625 2.742 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@](C)(c2ccccc2)C1 1722725138 GUXHFARHBJFXBD-QHCPKHFHSA-N 455.584 2.636 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC[C@H](CNS(C)(=O)=O)C3)nnc2C(C)(C)C)cc1 1722730935 HZNIVORJOYKBBW-LJQANCHMSA-N 461.632 2.954 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 1722732828 PZSXLKLVJVUVMI-OAHLLOKOSA-N 470.690 2.956 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 1722735533 QZEQRXFVSJZPNR-UHFFFAOYSA-N 455.382 2.843 30 10 JFEE CC(C)N(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1723514305 CSLSASFWCSXHIX-KBMIEXCESA-N 452.603 2.913 30 10 JFEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)CC1)S(C)(=O)=O 1728333284 FGVRMCMDJWFXMM-UHFFFAOYSA-N 471.612 2.572 30 10 JFEE COCCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730620128 GAKHZIJEPIXYIG-IBGZPJMESA-N 475.601 2.703 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1740551852 VQYYQVOSYHRCTF-IBGZPJMESA-N 478.597 2.966 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740568062 YMFODHNVXVWMTP-UHFFFAOYSA-N 475.528 2.830 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740575695 PVCRJWHPZSDKAB-WOJBJXKFSA-N 489.617 2.556 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1740602658 QJWYCTYUWUUFSX-CTNGQTDRSA-N 459.616 2.716 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1740617363 PXYIONDHFXMARP-XZOQPEGZSA-N 499.681 2.558 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740623572 WXLWLCXOPQMRPY-LJQANCHMSA-N 477.631 2.572 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1740626238 VYJZPRYXEXGYOG-JOCHJYFZSA-N 496.637 2.604 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(C)C 1740657693 WDLXITKEZFXUNB-HXUWFJFHSA-N 459.591 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(F)(F)F)c1 1740657953 DGSJYZZHIQKOOI-UHFFFAOYSA-N 459.472 2.853 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(=O)NCC=C)CC1 1740693259 VWSAHWBCBDEVCL-UHFFFAOYSA-N 454.987 2.871 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740713191 HRTCESUEWPOBSL-UHFFFAOYSA-N 499.044 2.740 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCCS(C)(=O)=O 1740754103 QGXUCWZXIXHXAX-HKUYNNGSSA-N 463.560 2.705 30 10 JFEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1740856164 QVYXPEXTMUDUTP-XMMPIXPASA-N 490.656 2.710 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740863173 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GCCHYMJSQFQWDH-LJQANCHMSA-N 469.615 2.717 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1744050456 GJGVXCKSPFATLU-IVZQSRNASA-N 465.574 2.799 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1748803237 WNEAIUKKQIUGGT-IBGZPJMESA-N 457.600 2.793 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748808532 DZFOTVIXLLBVSY-OAQYLSRUSA-N 455.628 2.756 30 10 JFEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748898738 QSXQOJUWTHXWQB-ZEQRLZLVSA-N 479.650 2.730 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1748973129 YGOXQXNOJBAAAC-PXDATVDWSA-N 485.032 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN(C)Cc2ccc(F)cc2)CC1 1749015610 YVBSXLPRZBZQRL-UHFFFAOYSA-N 454.594 2.714 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)COC2)CC1 1749018655 CEOOJHYCEIXRCH-UHFFFAOYSA-N 469.611 2.581 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 1749038872 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2.824 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2283985191 GKKAEUMPQHRNCQ-CRAIPNDOSA-N 464.343 2.824 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2283990938 LVNTXYXYGYETCP-UKRRQHHQSA-N 481.786 2.903 30 10 JFEE Cc1nc(NC(=O)[C@H]2CCC3(CC3)N2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2284137967 VIGAXFHNFFNRLU-MRXNPFEDSA-N 458.368 2.955 30 10 JFEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccs2)C1=C(O)c1ccc2c(c1)OCCO2 2296552702 BTYHXMGFHGSDBW-OAQYLSRUSA-N 470.547 2.663 30 10 JFEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc3C2=O)c(OC)c1OC 2297472062 YGBIIJAHARBWNP-NRFANRHFSA-N 485.489 2.933 30 10 JFEE COc1ccc(C=C2Oc3cc(OCC(=O)NCCn4ccnc4)ccc3C2=O)c(OC)c1OC 2297591952 ZBMABKSQNRAJEY-UHFFFAOYSA-N 479.489 2.720 30 10 JFEE COCCn1cc(C=Nn2c(S)nnc(Cc3ccccc3[N+](=O)[O-])c2=O)c2cc(OC)ccc21 2321660733 LYKKYYYBNXSRPG-UHFFFAOYSA-N 494.533 2.918 30 10 JFEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1cccnc1 2325881205 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Oc1ccc(I)cc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1 59514319 RKJIEARPWJISRL-UDWIEESQSA-N 479.326 2.828 30 10 JFEE O=C(C=NOCC(=O)Nc1cccc(I)c1)Nc1ccc2c(c1)OCO2 254761171 RQMSBLJCQVCANU-UHFFFAOYSA-N 467.219 2.600 30 10 JFEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2C#N)C1 586276950 WEBJFZBPSILASE-VEWZGRNOSA-N 460.537 2.979 30 10 JFEE CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1F 590945331 HKGQKNMPVIGSPF-UHFFFAOYSA-N 483.540 2.612 30 10 JFEE COc1ccc(CCn2c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729669857 CUPGIMIEZVCCTD-UHFFFAOYSA-N 486.597 2.927 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCO[C@H]1C(=O)O 757489738 ORJGIQDYBPZCHP-IRBZQWRBSA-N 462.502 2.523 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 915393279 IENSATBGDUZZOM-PMACEKPBSA-N 499.589 2.974 30 10 JFEE COc1cc(OC)cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 916947905 BZYNEFBIKOPOKR-OAQYLSRUSA-N 471.535 2.840 30 10 JFEE 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C=CCn1cc(CNC(=O)N2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)nn1 1252077453 UVBSQQKOAZWZSE-OAQYLSRUSA-N 451.531 2.558 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1286382338 AEFCXSMLHOGEMJ-QGZVFWFLSA-N 450.992 2.913 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1286388220 MEKKEDHDXUSDAA-JTHBVZDNSA-N 469.655 2.866 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1286393662 FWQVNEDSBBZPMO-IMSXRSKXSA-N 484.622 2.773 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286396440 PTRQCUGARROEKH-FCHUYYIVSA-N 485.654 2.524 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)Nc1cccc(Cl)c1C 1286401343 PXJWXBNNDRSBLO-DEOSSOPVSA-N 469.973 2.994 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1N1CCOCC1 1286435542 CYCSBOOYWRMRDF-UHFFFAOYSA-N 452.603 2.849 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286493100 DRLCYSRCAKTTSZ-ZRZAMGCNSA-N 492.668 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10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1595798229 NWMDSJQDODLVAL-JOCHJYFZSA-N 465.019 2.984 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCCN(CC(F)(F)F)CC1 1595812137 OCTTYKJQHSSGMX-UHFFFAOYSA-N 477.578 2.606 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595838227 NKMKCMQSZPJAFQ-UHFFFAOYSA-N 456.616 2.688 30 10 JFEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CCO1 1603126587 FLFXPDQSZKWDES-NRFANRHFSA-N 456.616 2.639 30 10 JFEE CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@](C)(C#N)C1 1617319490 GLNCDKMNPNKHIH-HSZRJFAPSA-N 494.662 2.957 30 10 JFEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1619873964 FZLDMOQUTFBAGS-FQEVSTJZSA-N 468.602 2.559 30 10 JFEE C#C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1640277212 XAHCBBQXEJXZCQ-LSDHHAIUSA-N 455.374 2.534 30 10 JFEE CC#CC[C@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cc(Br)ccc1OC 1640798263 XMFYDLQCDHPDBO-RHSMWYFYSA-N 455.349 2.914 30 10 JFEE 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C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1690445276 UTJLQXRWYCBESI-PZJWPPBQSA-N 483.642 2.804 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1690722757 UUINUYZAROQOTF-IBGZPJMESA-N 457.604 2.539 30 10 JFEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1696726290 GEQFAQJSYNMCQX-UHFFFAOYSA-N 465.461 2.500 30 10 JFEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1705517768 DNGVASBFOPSPEK-UHFFFAOYSA-N 453.616 2.672 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705538044 XUJPAPQPQZTRNV-NHCUHLMSSA-N 453.587 2.826 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1705560252 FLQDRGBWMDBTSY-FCHUYYIVSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562458 CMAAEIGKMVWQOZ-YLJYHZDGSA-N 479.002 2.659 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705564713 CFNNCAZHZSKUJR-IRLDBZIGSA-N 466.611 2.511 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1705564779 QCERAYAKHIVETC-RTBURBONSA-N 453.568 2.545 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705568030 FWXYBIABSGQUOY-VABKMULXSA-N 499.681 2.913 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1705598439 JUXRXMWGQOREJE-HXUWFJFHSA-N 484.597 2.531 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCC[C@@H]1C 1705600641 GYLPTVLFVLCBPJ-RBJSKKJNSA-N 474.653 2.657 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(N(C)C)c1 1705610779 CZVAYSUFDDQERL-UHFFFAOYSA-N 451.600 2.812 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1705611116 PYBYQNZMHOWAOX-LJQANCHMSA-N 464.570 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[C@@H]2OC)CC1 1705649497 AAGFNOKTJPUMHA-AVRDEDQJSA-N 471.552 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@H](C)C2)CC1 1705650003 KVYUWCJEPBCVHJ-QFIPXVFZSA-N 477.657 2.742 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2cccs2)N2CCCC2)CC1 1705652686 IXAGEOGZWFUFSM-HXUWFJFHSA-N 470.643 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2n[nH]c(C)n2)CC1 1705652848 PMOZMXQKNRORGO-UHFFFAOYSA-N 499.044 2.859 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705656147 WAAAQJPXCINHGX-FQEVSTJZSA-N 485.654 2.877 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1705696866 IRNMVIFUZYZBNN-KPLVRAHFSA-N 489.642 2.749 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(N2CCNC2=O)CC1 1705827229 YHADENLKSFPFHZ-UHFFFAOYSA-N 492.422 2.633 30 10 JFEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705887501 KQURQDVQUBVXTF-CYBMUJFWSA-N 465.421 2.744 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@@H](COC)C1 1705895743 QPBLMAZCNIHJKW-CQSZACIVSA-N 451.369 2.591 30 10 JFEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 1705911600 LTXYRWFKIWGOCA-HXUWFJFHSA-N 466.586 2.953 30 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30 10 JFEE CCN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2255751383 ZSKPXENIQANCCR-UHFFFAOYSA-N 454.398 2.521 30 10 JFEE CCN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255813424 SGYNSHXRZNWNQQ-AWEZNQCLSA-N 451.398 2.914 30 10 JFEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255870253 JIIVKWGLUIBILM-IBGZPJMESA-N 465.359 2.864 30 10 JFEE C=C(CS(=O)(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1)B1OC(C)(C)C(C)(C)O1 2255952049 OACDSKOGMOEVQU-IERDGZPVSA-N 456.414 2.693 30 10 JFEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)COC1 2267009586 PFQPTADHRDVSIG-UHFFFAOYSA-N 466.771 2.663 30 10 JFEE Cc1cc(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267123084 ATDYTKLKDVCOKR-CABCVRRESA-N 452.332 2.965 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC2(CC(NC(=O)OCc3ccccc3)C2)C1 2267266010 AAUKRBQNYSFRKV-UHFFFAOYSA-N 479.386 2.855 30 10 JFEE Cc1cc(S(=O)(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)sc1B1OC(C)(C)C(C)(C)O1 2267354042 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SJXOCXAMOWNZML-UHFFFAOYSA-N 468.583 2.824 30 10 JFEE CCCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OCC 2329013416 LLIHDGVASDXXQL-QGZVFWFLSA-N 488.614 2.650 30 10 JFEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(=O)O)cc1 2329056667 BMOQBZPGNSYJKW-KRWDZBQOSA-N 473.555 2.628 30 10 JFEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 2330737005 SQSKCABTRARMBY-UHFFFAOYSA-N 452.540 2.844 30 10 JFEE CC[C@@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(C#N)cc1 2331920424 KJZMXEQSIHNPEU-OAQYLSRUSA-N 454.552 2.745 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2334264228 TXKZOSXHTNSMHZ-VBNZEHGJSA-N 463.771 2.772 30 10 JFEE CN1CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2339397617 VNTJXCZFIIUHKO-MRXNPFEDSA-N 466.819 2.679 30 10 JFEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361641152 LZRLUDRFCITTBY-QGZVFWFLSA-N 478.420 2.568 30 10 JFEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2N)cc(OC)c1OC 20919424 STYIEZFALUWBHU-AUEPDCJTSA-N 491.961 2.848 30 10 JFEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)s1 21077185 FCYLGPJEMRENFG-QGMBQPNBSA-N 468.565 2.711 30 10 JFEE C/C(=N\Nc1nnc(SCC(=O)Nc2cccc(Br)c2)n1N)c1ccncc1 21324322 YLGVVFKJFWZFBY-SSDVNMTOSA-N 461.349 2.716 30 10 JFEE C=CCn1c(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(OC)c1 59808241 QRIWBNICVCILMV-UHFFFAOYSA-N 473.580 2.908 30 10 JFEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)Nc3ccccc3NC(C)=O)n[nH]2)c1C 59831476 WYLHTSUPIDRVHR-SSDVNMTOSA-N 467.559 2.939 30 10 JFEE O=C1C(Br)=C(Br)C(=O)[C@@H]2NC(Br)=C(Br)[C@H]12 100667090 UDTOUQKVXKMVOF-YRLXLREASA-N 464.733 2.687 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 107545687 PUWHMSMVQSMORW-UHFFFAOYSA-N 459.344 2.696 30 10 JFEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1O 170110304 JERKAYMIKSXVQF-SBUREZEXSA-N 480.517 2.987 30 10 JFEE C=C1[C@H]2C[C@]3(COC(C)=O)CC[C@](O)(C(C)C)[C@@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)[C@@H]2C[C@H]1O 257482674 MHTPILXDDYFGCC-AIFKPTTISA-N 480.598 2.789 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(c4ccc(S(=O)(=O)CC)cc4)CC3)cc2C1=O 521179277 KQHQIYKOSGMYNW-UHFFFAOYSA-N 481.574 2.661 30 10 JFEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(C)CC3)C(=O)N(c3ccc(F)c(F)c3)C2=O)n1 526696718 MCVBDIJKGPYAAU-UHFFFAOYSA-N 469.517 2.973 30 10 JFEE CCn1c(CCC(=O)NCc2ccc(C#N)cc2F)nc2cc(S(=O)(=O)N(C)C)ccc21 609229686 JIMZTFIZYGJBGY-UHFFFAOYSA-N 457.531 2.566 30 10 JFEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(Cl)cc(Cl)c1 729670296 RDHJWDVOGUWXIJ-UHFFFAOYSA-N 498.395 2.883 30 10 JFEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](O)C(=O)O 757396840 DGSPSGLRKMPEIK-VXKWHMMOSA-N 465.506 2.539 30 10 JFEE Nn1c(NN=Cc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1083977605 HUBGYUYLPMJQSC-UHFFFAOYSA-N 459.919 2.593 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)Nc1ccc([N+](=O)[O-])cc1 1084115679 PHLSWHHNBLSGCP-UHFFFAOYSA-N 458.416 2.504 30 10 JFEE COc1ccc(C=NNc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)cc1OC 1084160322 OSEBAAWPNIFMOZ-UHFFFAOYSA-N 475.619 2.785 30 10 JFEE C#CCC[C@H](O)CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1138990817 ASASNIAQGICQMA-BUYRESAOSA-N 453.383 2.541 30 10 JFEE COc1cc(C#N)ccc1C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1192255688 HMQCKVCJWUTOMH-UHFFFAOYSA-N 450.520 2.652 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 1211464002 FQTJTCXDCHIYMU-PWSUYJOCSA-N 451.879 2.979 30 10 JFEE C=C[C@H](COC)NC(=O)NCCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 1235205226 RJVPTJJZAXXFDJ-MKRLJBPISA-N 454.346 2.986 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1286305673 OBXBQHDRNJJNLW-SQNIBIBYSA-N 465.620 2.633 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CC 1286397746 PPVCGVHHPNVMIC-NRFANRHFSA-N 452.990 2.809 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1286451058 QPQSVAFXMUMJPI-UHFFFAOYSA-N 474.627 2.554 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2cccc(F)c2)CC1 1286492386 JQNQGQOSOWQKEK-UHFFFAOYSA-N 477.588 2.877 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2-n2nc(C)cc2C)CC1 1286492609 NKVQABXZCXLLPM-UHFFFAOYSA-N 475.597 2.631 30 10 JFEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286497976 ZYCWKIICOUCDPI-HSZRJFAPSA-N 480.682 2.931 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286504147 IUBYTIFPERVTSM-HSZRJFAPSA-N 462.623 2.871 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCCC=C 1286517745 LPQIPWZZXFLNNS-HSZRJFAPSA-N 457.600 2.780 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1286592522 JQXXLRZPCNDZEQ-QGZVFWFLSA-N 457.959 2.616 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286654240 COZZYENNQWHECK-OPAMFIHVSA-N 464.563 2.509 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286688003 OKBORMMOQDWTCA-MHECFPHRSA-N 474.606 2.802 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286778138 ZXZMVNCEOZFEFU-OYRHEFFESA-N 482.629 2.678 30 10 JFEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1286779176 PGHVOPQEPZMMHX-YMPZKCBVSA-N 469.630 2.945 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1 1286797963 FLYFOWWGQKKDAS-OALUTQOASA-N 476.622 2.845 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)(C)C)CC1 1286819996 BGSIBDIEALMCAK-OAQYLSRUSA-N 489.642 2.702 30 10 JFEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)CC(F)(F)F 1286976721 GBWNZWWWZBXSCI-JKSUJKDBSA-N 486.564 2.959 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1287122416 GGERKWGEXOEOKF-JOCHJYFZSA-N 493.656 2.652 30 10 JFEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1288232502 CRJIZMHQFGICDW-LJQANCHMSA-N 465.602 2.720 30 10 JFEE CC(F)(F)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1288746427 ACMHQIYTBGHNAU-INIZCTEOSA-N 482.532 2.563 30 10 JFEE C#CCn1cc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cn1 1297369528 IEZAXLHDJSLRGN-LJQANCHMSA-N 454.531 2.501 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2nnc(C)s2)c1 1300337351 ZREMHYSWCJUZDX-UHFFFAOYSA-N 489.609 2.599 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300504839 UIPWNSHHXCPRSD-XZOQPEGZSA-N 499.681 2.975 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(Cc2ccccc2)c1 1300544991 JRFRRLYRANGAFO-UHFFFAOYSA-N 469.574 2.636 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)cc1 1300556686 LVEPMVCFGAHHSD-LJQANCHMSA-N 469.611 2.721 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(OC)C1CC1 1300579530 WSKVTRYGDRLALE-CJFMBICVSA-N 471.602 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(OC)C1CC1 1300579536 WSKVTRYGDRLALE-NLFFAJNJSA-N 471.602 2.865 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)CC 1300638311 QXEUNDQNEDIDJW-UHFFFAOYSA-N 455.378 2.514 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCN1CCOCC1 1300656345 FBVJDPGQAXYFAU-UHFFFAOYSA-N 476.419 2.824 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(Cl)nc1 1300657422 LRYJUTLSFKRIKJ-UHFFFAOYSA-N 459.959 2.531 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@@H](F)C1 1300663404 AQSWMAOETJCTLX-QZTJIDSGSA-N 452.534 2.899 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Cc2cccs2)CC1 1300711385 ASBNIXIHULMJBX-SFHVURJKSA-N 491.621 2.832 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2-c2cnn(C)c2)CC1 1300727412 XAMZICJPXMTTFJ-UHFFFAOYSA-N 459.598 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2csc(C)n2)CC1 1300729181 PHFJSRMOTNEQAG-UHFFFAOYSA-N 454.625 2.904 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1300801918 WTWIQENBSOQWHV-CLJLJLNGSA-N 478.597 2.845 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300955972 CUMQWXCBDXKACV-UHFFFAOYSA-N 468.577 2.524 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300980835 WQHIYRVPOQFDCQ-UHFFFAOYSA-N 456.591 2.574 30 10 JFEE COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1301099606 CGRFZQBQCGJJOZ-XMMPIXPASA-N 455.559 2.787 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301208786 DLDSDYYKDMHURG-UHFFFAOYSA-N 476.984 2.685 30 10 JFEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1301334915 SDVAJXOSHUHVER-RTBURBONSA-N 483.704 2.730 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C=C)CC2)cc1 1301524912 DZPWPXLADVANTL-JOCHJYFZSA-N 487.626 2.627 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1301542000 HRSBALWSLFRSGS-TZIWHRDSSA-N 459.616 2.570 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)s1 1302149915 QYZXTQPAWNRRSK-CQSZACIVSA-N 457.980 2.943 30 10 JFEE Cc1ccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1304261520 BFJMMNAIFTUMEV-QHCPKHFHSA-N 450.522 2.686 30 10 JFEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(N(CC)CC)nc2)CCOC1 1314111711 FCDFBKFWWMDKEX-PKTZIBPZSA-N 457.554 2.662 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@H]2C(C)C)c1 1358902960 GOOCEASRUGFQOB-NLFFAJNJSA-N 478.597 2.518 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1358933102 HOLSAAVHDMAASU-UHFFFAOYSA-N 450.587 2.823 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1358956626 IOTOPOXLCWOZFH-VXKWHMMOSA-N 496.637 2.948 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCNC(=O)OC(C)(C)C 1358971948 OIQFFDBQHNCBKJ-UHFFFAOYSA-N 485.610 2.726 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cccnc1OC 1358976665 MQPINMFZKWOISN-UHFFFAOYSA-N 467.533 2.590 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1359013035 IMHWEXUTABVYTK-XMMPIXPASA-N 461.614 2.981 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2C[C@@H](C)O[C@H](C)C2)n1 1359027540 MZZPTJQJPVBATC-WOJBJXKFSA-N 465.602 2.970 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1359035283 PUDSTCPIXJTYIG-IBGZPJMESA-N 463.504 2.917 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1359035335 RAISVLWPKWHLJW-IPVFLDMMSA-N 488.677 2.945 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCOC(F)(F)F)CC1 1359047953 ZMHRTLCTCCTWIO-UHFFFAOYSA-N 483.466 2.889 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1359143028 SKKAFSLBZUTUDP-HNNXBMFYSA-N 491.058 2.867 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1359173993 UKSOBSMTKMYUCZ-NQIIRXRSSA-N 460.648 2.902 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1359189880 XNSDKXBYRMADNQ-HZPDHXFCSA-N 451.618 2.817 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1359265307 CSVJYLNIEBCBMF-JOCHJYFZSA-N 466.634 2.809 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1359307607 PNOJVERTPHKPBE-RTWAWAEBSA-N 489.642 2.551 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccc(C)c2)C1 1359324028 BKPNHTDGUHAPBD-JOCHJYFZSA-N 463.586 2.659 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359332884 JMLBSJNSYVIPLN-UHFFFAOYSA-N 473.643 2.820 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359333875 MQVPXUOLZLDDHE-VGSWGCGISA-N 481.018 2.507 30 10 JFEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1359343592 WQOYUPHCIBPNLD-HBMCJLEFSA-N 476.691 2.518 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1359343700 YUZUWYILGSCAOK-INIZCTEOSA-N 451.574 2.644 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCc2ccccc2)c1 1359473451 CINNZAKFAPPXJS-WIYYLYMNSA-N 480.594 2.798 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1 1446380514 SOJXXBKLFLUYOK-MBSDFSHPSA-N 456.564 2.653 30 10 JFEE C=CCN1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)C1=O 1459586727 ZDLKUSUYFYJJSP-HTAPYJJXSA-N 453.564 2.685 30 10 JFEE C#CCN(C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1477300382 GMTYAWQDHRNMQV-CTNGQTDRSA-N 454.527 2.749 30 10 JFEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(N3CCOCC3)CCCCC2)CCOC1 1502617951 CWXPGEUVJGESRZ-RDPSFJRHSA-N 460.623 2.704 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1507631760 SXOWHCDGRCKCON-VXKWHMMOSA-N 482.610 2.573 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1507640052 OIFUSIREQZMCDC-QFIPXVFZSA-N 479.606 2.738 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)C)C1 1507644377 GMIXDROEUSAONP-HXUWFJFHSA-N 453.612 2.542 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507655785 AXUHTHLTIYTHRT-UHFFFAOYSA-N 459.623 2.588 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)C(C)C 1507673057 OGFMUMOXPJZFBE-UHFFFAOYSA-N 472.387 2.855 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1507679917 TXSJSVUSKOTENY-SESVDKBCSA-N 459.616 2.824 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1507715729 HPBNKKINASISHK-PGRDOPGGSA-N 452.603 2.964 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1507763635 FINRKNQVHZUYLJ-HTAPYJJXSA-N 461.563 2.585 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(CS(C)(=O)=O)cc1 1507764169 JOKKCRJLSKQOHF-WZONZLPQSA-N 460.600 2.587 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1507795207 DENZAAYNZOQGFM-YRPNKDGESA-N 477.606 2.793 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)COC)CC1 1507799490 WQLCQYTUHSJZSU-XMSQKQJNSA-N 484.557 2.566 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1507810763 YDEWBMUHGMHDMZ-NFBKMPQASA-N 480.569 2.988 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1508018654 WNEWGZRWEUYPLU-AVRWGWEMSA-N 464.570 2.954 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(=O)NCC)C1 1508113950 BPCAGRNEOPVWJU-GOSISDBHSA-N 455.559 2.660 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)C1 1508126355 UIOBNIRWDOMYTH-SFTDATJTSA-N 460.600 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)NC)CC1 1508134361 RVRLQOHOEONTFD-UHFFFAOYSA-N 486.425 2.815 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508148817 KPTDCCRALCJSEL-IBGZPJMESA-N 478.537 2.618 30 10 JFEE C=CCOc1ccc(/C=C/C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1OC 1522187538 XAPOJWZCYUPVNT-AZGCOUAMSA-N 454.527 2.744 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(F)(F)Br 1539153625 GURPILRBIBIZEE-UHFFFAOYSA-N 461.336 2.604 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)Cc1cccc(F)c1 1539346099 ANNYDQTVMBTNQJ-UHFFFAOYSA-N 473.350 2.993 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H](C)c2ccccc2)CC1 1539467344 RUZPUXKXXNBHGZ-NRFANRHFSA-N 492.624 2.648 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCOC2)CC1 1539469315 RIOADWQZWZMVKV-RBUKOAKNSA-N 469.561 2.950 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(CC(F)(F)F)C1 1539569399 DJQICIQHDJKMPW-RYLXDESZSA-N 455.525 2.878 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539616058 NOBMCJSVBJZJIY-HCXYKTFWSA-N 451.637 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1540904694 OUHDJIQKMKUFHJ-UHFFFAOYSA-N 489.539 2.683 30 10 JFEE CC(C)c1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)cn1 1541319957 IESHYFMZTHBRQR-IBGZPJMESA-N 495.609 2.713 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1542995061 HJICOCQYMOAASJ-UHFFFAOYSA-N 460.586 2.910 30 10 JFEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)C1 1555793857 BZDYAMAZRGHMAJ-FQEVSTJZSA-N 457.600 2.915 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(COC)CCOCC1 1587580140 MYCLNWLKJKLXCH-KRWDZBQOSA-N 458.559 2.872 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@]2(O)CCSC2)c1 1587696999 GYRGTVWIDNNRBU-HSZRJFAPSA-N 467.620 2.855 30 10 JFEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1587818044 OOTKBRQEDQAJBI-OAHLLOKOSA-N 461.339 2.816 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588068879 BINLDXDBDXTHDH-FQEVSTJZSA-N 483.594 2.640 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588074104 IZWZGBAIRPHKSR-XJUOHMSHSA-N 486.638 2.602 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)CN1CCOCC1 1588594860 KXVCOHHCOAKFEC-INIZCTEOSA-N 482.448 2.823 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1588768948 MRCTYSPEOYWHQM-REWPJTCUSA-N 485.654 2.699 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(SC)cc2)CC1 1588930155 OODIANULUGXSTA-FQEVSTJZSA-N 453.612 2.712 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1593696573 SSWYUPUTVWMWIB-HXUWFJFHSA-N 495.628 2.993 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1594461175 LEZOVDMLUWIIPP-QHCPKHFHSA-N 457.600 2.810 30 10 JFEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)Cc1ccccc1 1594986475 XRZXHIYVOUHPIW-UHFFFAOYSA-N 450.568 2.754 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)n(C)c1=O 1595071016 VLJKDIJHMMDKIO-UHFFFAOYSA-N 476.581 2.771 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(F)cc2)CC1 1595490619 UVGAYGLGEAELMS-UHFFFAOYSA-N 488.365 2.804 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1595556131 OSDHKOBQJRMCJY-GOSISDBHSA-N 481.551 2.728 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1595562194 PWPJJQWVHRMANJ-FQEVSTJZSA-N 462.529 2.805 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1595613506 FSBDNEYCMKTYNX-FQEVSTJZSA-N 469.586 2.517 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](CCC)C2)cc1 1595614190 PKIDYTZOVYPKLK-TZIWHRDSSA-N 460.600 2.799 30 10 JFEE CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 1595958072 BSNLLBPABSLRAU-IERDGZPVSA-N 451.596 2.971 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1cccc(C(=O)NC)c1 1613314425 IFPHKZRSCLDYKD-IBGZPJMESA-N 472.597 2.987 30 10 JFEE CCN(CCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1615625278 FRHONHUPFZRFCY-QHCPKHFHSA-N 474.631 2.967 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)ccc2c1=O 1624208484 LWPRWAKJKORXTC-KRWDZBQOSA-N 453.520 2.578 30 10 JFEE C#CCN(C(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1634818177 NANAASKTQVDZCG-INIZCTEOSA-N 453.543 2.543 30 10 JFEE C#CC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1639869456 MRFORNVAULSUEX-YLJYHZDGSA-N 452.580 2.985 30 10 JFEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 1639953683 DPOOPWYDPGXFGB-NRFANRHFSA-N 458.971 2.803 30 10 JFEE C=CCn1c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(Cl)c1 1652741418 IJMYIYDCFMONTA-CZUORRHYSA-N 455.005 2.911 30 10 JFEE COC(=O)c1sc2ccccc2c1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1659988098 GGCOMNRNHPYIOB-UHFFFAOYSA-N 456.549 2.902 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@](C)(CO)c2ccc(Br)cc2)c1 1663290433 REDRBYLGECRBPQ-LJQANCHMSA-N 453.358 2.551 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)c(F)cc2OC)c1 1666542778 ZUUREGWDLGWRFL-UHFFFAOYSA-N 455.305 2.837 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1671874222 CKBLTEOMQGWFMB-ACBHZAAOSA-N 459.547 2.578 30 10 JFEE COc1ccc([C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)N2CCOCC2)cc1OC 1681348708 CSOAMYXTAJJIBO-YADHBBJMSA-N 450.539 2.935 30 10 JFEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 1682407896 ULURQAFSPDNQRF-UHFFFAOYSA-N 453.312 2.807 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689955626 OGYBCNSGNSAIGJ-LJQANCHMSA-N 459.616 2.721 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689996316 HAZSUAOKFGXDFA-RBBKRZOGSA-N 485.654 2.583 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2sc(C)nc2C)CC1 1690148459 ICBBOPCFBHWMHD-UHFFFAOYSA-N 478.622 2.965 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690306657 ZZZNJJIECGZTIK-WOJBJXKFSA-N 455.559 2.802 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690453914 MVNRILKDMCOVFE-KRWDZBQOSA-N 461.588 2.982 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1ccc(C)cc1 1690672168 KKNCMMUZXRGJTA-LJQANCHMSA-N 470.574 2.965 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690736741 NPEIBFRMNWAPAU-LJQANCHMSA-N 489.667 2.859 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1690746648 GCIZGQOVHOSTRY-IBGZPJMESA-N 494.662 2.564 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1697698060 HJAOYRLFPJIQIA-VQTJNVASSA-N 478.519 2.943 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)c1 1705503816 FPIYZERFJXUDSO-FQEVSTJZSA-N 450.587 2.890 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC2CCS(=O)(=O)CC2)c1 1705503975 JWYTVSHVZWIEQF-KRWDZBQOSA-N 457.600 2.673 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1705517645 ZXXHALDWYMOZSK-AZUAARDMSA-N 461.588 2.657 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705525947 AIBLNYNUEYJLII-VWLOTQADSA-N 469.586 2.685 30 10 JFEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1705602516 XYXZVRNGZYUTBN-UHFFFAOYSA-N 460.563 2.584 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(N2CCOCC2)n1 1705602697 APFGFWIZDZZAOW-ISKFKSNPSA-N 476.625 2.940 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705636782 XOULDXMYMDWUKH-SFHVURJKSA-N 492.546 2.602 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCOc2ccc(Cl)cn2)CC1 1705641191 WFVXFLMSOKLPGV-UHFFFAOYSA-N 466.973 2.760 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[S@@](=O)C(C)(C)C)CC1 1705642244 MKAYZDVCKMTTPH-JGCGQSQUSA-N 457.644 2.776 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1705662722 IUNVQUBEWAAMBH-UHFFFAOYSA-N 499.088 2.902 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705699838 MCKMTFHPDNPCTF-TWMKSMIVSA-N 462.538 2.940 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705727832 CTKDRCAOKVPYGJ-HSZRJFAPSA-N 465.646 2.524 30 10 JFEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 1705737126 KGYTWBXTJJYOMF-QGZVFWFLSA-N 453.609 2.732 30 10 JFEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705832070 MADJVSIZIOGTMI-VQIMIIECSA-N 490.402 2.927 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1705858221 SUDAFRHGGXSMSX-JOCHJYFZSA-N 487.612 2.883 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCc2cccc(Br)c2C1 1705900276 XJBQVVQDCFECQH-UHFFFAOYSA-N 453.344 2.968 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1705914342 LVSRXXLXYSNJCU-PZJWPPBQSA-N 487.626 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1705937172 LDEHEVAHDNPORR-NRFANRHFSA-N 457.600 2.812 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC1(O)CCOCC1 1708760158 HTTBCYDGKQXTNT-QFIPXVFZSA-N 496.612 2.578 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710015054 FBMFKIRKSVIVPX-IBGZPJMESA-N 467.666 2.981 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1711086169 CWUUIGIJUFVFJO-UHFFFAOYSA-N 479.566 2.620 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722363707 BIHSOCJIRACSAQ-MIZPHKNDSA-N 474.602 2.696 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722364505 LHCQEGIUZMOTGV-XLIONFOSSA-N 476.574 2.611 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722367456 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C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCC(C)C)CC1 1740698770 VPCFVGLDMFHBCM-RUZDIDTESA-N 455.603 2.905 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)OCC)CC1 1740706861 GFVZBMGJLMAYMX-UHFFFAOYSA-N 459.541 2.928 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1740751792 OPVLNDMVMFOHGH-PRTQVNTJSA-N 483.613 2.967 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCCS(C)(=O)=O 1740754109 QGXUCWZXIXHXAX-MJGOQNOKSA-N 463.560 2.705 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740819811 FVCABUJATBXTMC-JPYJTQIMSA-N 459.616 2.903 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1740880186 WWQHPDQOJLSWAR-UHFFFAOYSA-N 469.586 2.998 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1740888933 XHPNEANRFBHVBJ-RTBURBONSA-N 465.595 2.652 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740919788 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BCAHKWLSEIKOMA-UHFFFAOYSA-N 473.598 2.723 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](OC)C[C@@H]1C(=O)O 757334131 RAQSDTXWPZWUDL-UZFJHSOTSA-N 462.502 2.618 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(Cl)ccc1Br 1143121935 HZPKJOJLWZCZKN-LLVKDONJSA-N 456.749 2.957 30 10 JFEE COC(=O)[C@@H]1C[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 1153666397 GMPJNDQBNPMSDI-HSALFYBXSA-N 469.563 2.658 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ncc(CC)s1 1286401390 LUJLPOZTZXCAIO-UHFFFAOYSA-N 482.635 2.530 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCC(C)CC1 1286437941 PIDOXMAJAGHSOJ-HXUWFJFHSA-N 472.659 2.775 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(C)=O)CC1 1286542061 GRWZTYMPMCMAGN-UHFFFAOYSA-N 481.420 2.625 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286552114 LABSBHLARZMIPH-NWSQWKLXSA-N 481.601 2.577 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCCCC)CC1 1286555918 MJSUYSVRVZMWSQ-RFWXGWTQSA-N 472.634 2.876 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286626391 UVTHHTSBWPVBCU-IERDGZPVSA-N 489.020 2.704 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1286742685 SYAUXQLAMIBSLN-FCHUYYIVSA-N 461.570 2.552 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1286750769 GWXWRTFKRJUKNU-QFIPXVFZSA-N 451.623 2.525 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286795618 KUBHQORXJWIQJG-AZUAARDMSA-N 489.642 2.633 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1286809747 KUWPMYUQKJKRAD-SFTDATJTSA-N 455.559 2.827 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1286822307 HXJKLRXDUVCYNK-UHFFFAOYSA-N 467.599 2.629 30 10 JFEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286832346 RXUYSVUONBKNME-UHFFFAOYSA-N 473.553 2.653 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@](C)=O)cc1 1286969110 DMQAXYJTTWIGKO-KNTRGWTASA-N 470.624 2.792 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1291808842 AKFYRHUOYQDSLS-RBUKOAKNSA-N 473.585 2.627 30 10 JFEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1294846467 DCIQUWMHKKCNQR-MRXNPFEDSA-N 463.508 2.806 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1300309422 HEUBONLRRSKGCW-GHTZIAJQSA-N 496.612 2.795 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1300333140 XAIOVUCDGUEENW-NRFANRHFSA-N 469.611 2.959 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)c(OC(F)F)c1 1300528222 SSLZOEZQXVNZBX-UHFFFAOYSA-N 483.475 2.931 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C)C(C)(C)C1 1300657369 KQHYDBFRTALRQE-UHFFFAOYSA-N 489.462 2.820 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccccc2OC(F)F)CC1 1300711291 WRZSTETZMMJULT-FPOVZHCZSA-N 475.540 2.601 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](OC)c2ccccc2)CC1 1300722872 MTYGHDRRPFPVLZ-YADHBBJMSA-N 451.571 2.873 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1300766155 VACAJWCVCDYHLM-LSDHHAIUSA-N 456.584 2.771 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300870507 SXVPMFOQLINBAM-FIKGOQFSSA-N 485.585 2.654 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300876991 VNAIFZRYMIKYQA-FUOIXIIKSA-N 458.651 2.762 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300999868 IDWKKJAZNHFEOR-OAQYLSRUSA-N 482.585 2.539 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1301109971 QKIHRFYAJAKNER-BWKNWUBXSA-N 460.667 2.606 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301136897 HKDFHQIUZLBACA-MRXNPFEDSA-N 494.687 2.951 30 10 JFEE 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495.378 2.972 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300896448 FPFJRGSTTUNRJH-PWHSHALESA-N 490.626 2.860 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1301033418 IEOUSJOUNUOVCZ-UHFFFAOYSA-N 454.966 2.781 30 10 JFEE C=C(Cl)Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301061399 TWNUFVLAESSXIU-QFIPXVFZSA-N 461.998 2.805 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301222638 BQBTWRZUAGVXCY-OALUTQOASA-N 489.621 2.593 30 10 JFEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301234432 LFJWNHPTTYTUMW-UHFFFAOYSA-N 498.603 2.903 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301608976 CGHYFZKKMGZFNA-HNNXBMFYSA-N 469.571 2.790 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2ncc(C)s2)CC1=O 1301927332 CCNKDNDVGJVJJA-QGZVFWFLSA-N 495.609 2.592 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1301967798 GWKQTBYTCKXAHP-VXGBXAGGSA-N 458.407 2.648 30 10 JFEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1 1302504891 DQFBVORHSPSVAT-ASPBEGMCSA-N 468.627 2.859 30 10 JFEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1315533662 FZENWKRSHLGSBN-CJFMBICVSA-N 468.602 2.843 30 10 JFEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 1348034275 CSEFCLJPXLBREB-HLIPFELVSA-N 452.536 2.677 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1358936378 MBTXPJXFRFRRBP-QYZOEREBSA-N 456.591 2.726 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358955338 KBGWSMSZWFLPQL-HXUWFJFHSA-N 474.627 2.818 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358957292 SCEGMBVSBMRSJK-RBUKOAKNSA-N 477.606 2.524 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCN(C2CC2)CC1 1359019644 AYVNIHPTZWUQET-UHFFFAOYSA-N 461.408 2.996 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(C)CC2)CC1 1359031497 FEERJUMVCYLMPI-UHFFFAOYSA-N 451.575 2.731 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2c(CC)nn(C)c2CC)CC1 1359038735 IHKPCDOTFGIDGV-UHFFFAOYSA-N 461.614 2.827 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359092849 GYPXMCANZUYSMZ-RLLQIKCJSA-N 475.571 2.848 30 10 JFEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359181331 OQKCRNQVICHITL-UHFFFAOYSA-N 474.627 2.816 30 10 JFEE C=CCCOCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359228621 IRFSNAKSUXQICF-QPPBQGQZSA-N 472.678 2.982 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359304619 CXFKFSILJXXURG-UHFFFAOYSA-N 484.601 2.961 30 10 JFEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)c1 1437520651 GLSUEYQBWWFDGX-UHFFFAOYSA-N 456.503 2.618 30 10 JFEE CC1CCN([C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2ccccc2)CC1 1464397757 HTGMBSPNFCIRKD-WMZHIEFXSA-N 454.596 2.814 30 10 JFEE C#CCOc1ccccc1CNC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1477915132 AVQGOJQZBPUZCT-FAFRJYIDSA-N 456.539 2.751 30 10 JFEE CC[C@H]1CCCCN1CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1499471492 BMAXIODGOOLFBJ-VQTJNVASSA-N 454.575 2.859 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(COC)CCOCC2)cc1OC 1501241145 GGBDYLMOWAVNHX-FQEVSTJZSA-N 485.585 2.914 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ccc(Cl)cn1 1507520492 DACMEEOEZKKGEJ-OAHLLOKOSA-N 459.959 2.934 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1507532399 HRRHXAQGYHDGIR-LJQANCHMSA-N 477.613 2.805 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)c1 1507551706 GTBAHIRMERTVAA-UHFFFAOYSA-N 451.490 2.833 30 10 JFEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1507710118 JOEWFMDTIHESIP-UHFFFAOYSA-N 450.543 2.991 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN(C)[C@@H](C)CC)CC1 1507731395 HFZDMPYSKNECQE-VXKWHMMOSA-N 487.693 2.878 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)c2ccco2)CC1 1507735030 HUNRMTURIQOKMG-UHFFFAOYSA-N 498.946 2.726 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507875091 NGRBPLXOAGKMCS-NRFANRHFSA-N 455.003 2.701 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1508012306 VNEOZWLKEQHDDC-LJQANCHMSA-N 457.383 2.980 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(Cc2cccs2)CC1 1508074867 SDPPGZFBRGAVLF-UHFFFAOYSA-N 482.610 2.648 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1508077839 RAQHONMJYVJUNO-XOBRGWDASA-N 496.431 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1508136889 ITVKPPWJSPFMIO-GHTZIAJQSA-N 455.584 2.851 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N(C)Cc1ccccc1 1509980887 COGAGCVDTYSILL-SVFBPWRDSA-N 458.632 2.829 30 10 JFEE C[C@](O)(Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1510232266 DFWMINVFNZMDBE-LIRRHRJNSA-N 450.312 2.736 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)c1 1510743144 DIDHHZZYUKODDG-QFIPXVFZSA-N 461.563 2.741 30 10 JFEE C#CCOc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1521866734 FRIFMVVPRFOOLQ-HSZRJFAPSA-N 454.548 2.761 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1539030914 CIYSRRIDOOYMJF-GBXCKJPGSA-N 455.628 2.831 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC1(c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539202048 FIKLCVBHRGSNPP-OAQYLSRUSA-N 470.639 2.951 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1539423794 GOTJWNRIXQWFCO-YADHBBJMSA-N 469.634 2.733 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)CC1 1539428757 WKWOSWNPHRDXDI-FQEVSTJZSA-N 473.046 2.902 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCOC(F)F)CC1 1539487965 CFNOMGLOAYMBGK-UHFFFAOYSA-N 470.524 2.876 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCC(C)(F)F)CC1 1539490253 UNVRLYYGOHNXLX-UHFFFAOYSA-N 461.513 2.877 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1539612596 OETVBXUCGTUGCQ-OGNFBWPZSA-N 471.396 2.685 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539629282 WIUXHRNUDHHYJU-OFNKIYASSA-N 498.653 2.988 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCC)CC1 1539637871 UHYAVQNFKTYQPI-GGAORHGYSA-N 452.603 2.988 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1539641401 MCNNUSKTCICLNH-HMFYCAOWSA-N 455.559 2.514 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539688762 NPGPSXMCAAEDFL-SFHVURJKSA-N 461.588 2.543 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539706766 SQAXJYDLAGDJEJ-ROUUACIJSA-N 478.594 2.878 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(=O)N(C)C)CC1 1539736476 YYQOLZAOXDOTPM-UHFFFAOYSA-N 455.559 2.961 30 10 JFEE C=C(Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1539771229 WULLKRKWTXPQJC-RPBOFIJWSA-N 453.587 2.995 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540120727 VIJVEZXMOWMGDB-HXUWFJFHSA-N 484.626 2.766 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1540128836 PXVQVMUHKHIMBE-SFTDATJTSA-N 484.626 2.721 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1540887258 TVRPKDULQPTQHF-PMACEKPBSA-N 456.591 2.571 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1540897298 GITUHYGQXKTCRH-HXUWFJFHSA-N 495.609 2.607 30 10 JFEE C=CCOc1ccccc1CN(C(=O)Cn1cc([C@H](C)O)nn1)c1ccc2c(c1)OCCO2 1543115314 LNDNODOCKAIBQN-KRWDZBQOSA-N 450.495 2.901 30 10 JFEE Cc1c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nnn1-c1ccccc1Br 1544774295 ACSBHFKSFRXUQM-OAHLLOKOSA-N 453.300 2.898 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1545689563 FLHFSKKACHQLGD-FQEVSTJZSA-N 489.628 2.567 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2ccnc2C)C1 1547819515 CDKPDOOAABHVQU-FQEVSTJZSA-N 478.557 2.649 30 10 JFEE CN(C)c1cccnc1Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1552842551 AXZAJWPIZOKPFV-SFHVURJKSA-N 498.385 2.858 30 10 JFEE CN(CCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F 1554275998 FXWCEIUTOGIWJB-UHFFFAOYSA-N 485.518 2.818 30 10 JFEE CO[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1554604489 CTSNPFQLSBQEDE-VQTJNVASSA-N 460.586 2.865 30 10 JFEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(CCN(C)C)CC1 1555070357 IAWHTJWEOWLGKG-VWLOTQADSA-N 469.609 2.593 30 10 JFEE COc1cc(NC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(F)cc1C#N 1563098874 GDIFQHHWGZTXGF-QGZVFWFLSA-N 456.474 2.702 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2ccnn2)CC1 1587718286 BHFRPBPKMJYNJN-UHFFFAOYSA-N 467.599 2.660 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588045723 PKRIMNKZKKEWTF-OAQYLSRUSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1588050248 PSZHCGKZEMPNPJ-NRFANRHFSA-N 464.595 2.611 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588053410 FANWQDYVPSKNTJ-LJQANCHMSA-N 479.647 2.819 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1588069081 HASUVJKZNYTXDH-AVRDEDQJSA-N 478.615 2.909 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588871988 UKOVSACQIYSQQS-UWJYYQICSA-N 494.423 2.971 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1589347895 XMMWSESXBBAJDZ-UHFFFAOYSA-N 486.374 2.988 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1589545340 NICABMWGZDICPY-BDTNDASRSA-N 489.642 2.537 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1589658079 RRTJRZNXUJRVMA-PZJWPPBQSA-N 461.632 2.894 30 10 JFEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(N)=O)C1 1593717365 FLUJIHWOUZLHPY-ZDUSSCGKSA-N 452.328 2.751 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1593718089 PTQSKXUHQLCFMM-RBBKRZOGSA-N 458.559 2.939 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2nccnc2C)CC1 1594036763 XLXQPESBESBPHD-UHFFFAOYSA-N 467.599 2.693 30 10 JFEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1595411502 URFPJWDTRSLLRL-UHFFFAOYSA-N 454.481 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595799400 ZTLWLGQKEPDRBW-QGZVFWFLSA-N 453.609 2.640 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1595849631 DOABSWCESFWVEV-UHFFFAOYSA-N 494.581 2.593 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1595957144 RJLVEHKJJGNKND-QFIPXVFZSA-N 466.586 2.991 30 10 JFEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)c1 1596870732 NHBSCYYEYLCCPN-NRSPTQNISA-N 455.555 2.917 30 10 JFEE Cc1cc(Br)cc(C)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1598250818 CYYQVIIRQVPUQI-CQSZACIVSA-N 450.358 2.921 30 10 JFEE Cc1ccc(OCc2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@](C)(O)C(C)C)cc1 1612142767 DDPKXOXNVUBYDV-AREMUKBSSA-N 492.628 2.813 30 10 JFEE CSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)ccn1 1620233446 ICORNNYVHKSKQF-UHFFFAOYSA-N 498.634 2.907 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCN2CCCS2(=O)=O)cc1 1620350324 HSYZXBCUHGIWPV-QGZVFWFLSA-N 468.505 2.631 30 10 JFEE C#CCOCCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 1631469915 WXAGZUFBIUFIRR-DEOSSOPVSA-N 458.518 2.626 30 10 JFEE C=CCN(C)CCN(CC)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1635753203 LSLNWCBVPVENRD-HSZRJFAPSA-N 459.587 2.908 30 10 JFEE C#CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1638844286 BLYSVAQQEPXKPY-NRFANRHFSA-N 456.296 2.867 30 10 JFEE CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)CC1 1640593557 GMPQSWNAQKHSRC-IBGZPJMESA-N 455.632 2.741 30 10 JFEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCCCC1 1648418400 LIVVYVJWQHPKCV-UHFFFAOYSA-N 455.983 2.628 30 10 JFEE 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469.571 2.861 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705732590 DVZIZAHIXSHSRC-UHFFFAOYSA-N 451.531 2.628 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@H]2C1 1705735445 RBCCQNQMQWNYSB-OAQYLSRUSA-N 490.649 2.506 30 10 JFEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC[S@@](=O)CC)CC1 1705784281 OKZVVVRCETVARK-XIFFEERXSA-N 470.687 2.814 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C)C1CC1 1705853946 KHIVIWORFWWZJM-IBGZPJMESA-N 457.579 2.946 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1705875835 HOQOJEYGJLTASJ-DHIUTWEWSA-N 485.654 2.741 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705906878 RNRICYBLERDREZ-LJQANCHMSA-N 494.640 2.952 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705910683 KBRFDLWIBZFHFU-FQEVSTJZSA-N 487.626 2.531 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705946081 YJIJVXJMVMQGAE-ROUUACIJSA-N 467.636 2.821 30 10 JFEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1C 1707545356 FQGNOEIAQQLYIG-HSZRJFAPSA-N 474.631 2.932 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCS(=O)(=O)C1 1722284626 YYMPXJKGHXURCD-KGLIPLIRSA-N 467.389 2.609 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722360388 GQVAZNQMMISHAE-LJQANCHMSA-N 459.616 2.507 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722361452 NIVBJIHQXFOASD-KRWDZBQOSA-N 498.609 2.578 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1722364556 LQSYJYOQSCUBGO-IEBWSBKVSA-N 493.029 2.840 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722369488 AAFQSMZBSZCFTO-SWUCNREESA-N 486.638 2.823 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722369566 BEYWNRKCSCOARH-GOSISDBHSA-N 472.592 2.602 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 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C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1286624914 DLQHSVWSHOVABZ-YLJYHZDGSA-N 458.010 2.910 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286695972 PCTCEHIITNDGDR-UHFFFAOYSA-N 460.941 2.631 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1286736171 BPBZLJDPBZXNPR-GOSISDBHSA-N 497.662 2.955 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCN1CCSCC1 1286744061 CBHYTLUQGLKENO-UHFFFAOYSA-N 458.607 2.895 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(Cl)cc2C1 1286790567 NLJICSXXFJRFHD-UHFFFAOYSA-N 470.986 2.788 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286792911 LECIJCRBNQDGQB-ZWKOTPCHSA-N 457.600 2.887 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286817228 LFOOJDAPZLOPKX-MAUKXSAKSA-N 499.431 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)C[C@@H]1CC 1286817522 MXGOEICCZCKTHM-AEFFLSMTSA-N 494.687 2.772 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286822160 BRLZJFZSQOBWBU-QGZVFWFLSA-N 457.604 2.586 30 10 JFEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1nccs1)N1CCOCC1 1288672775 CNCJRPPBWMFZNH-GOSISDBHSA-N 467.599 2.585 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCS(C)(=O)=O)CC1 1288977018 HOFUZPVCAORLRH-HSZRJFAPSA-N 494.662 2.957 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1296221566 HXFYFSINIGBAQT-UHFFFAOYSA-N 475.597 2.842 30 10 JFEE COc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)cn1 1300207400 FINYKEHOMDRBAO-RTBURBONSA-N 483.573 2.573 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)(F)F)c1 1300334822 VCKKEGNFSTZVHC-UHFFFAOYSA-N 490.511 2.665 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2nccs2)c1 1300337005 RUXCUQSYOWKJCX-QGZVFWFLSA-N 477.594 2.717 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300489115 IXVUZDBUIQYFNI-NZSAHSFTSA-N 493.029 2.785 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCSC2)CC1 1300715986 HRIZBBZGDYITRS-KRWDZBQOSA-N 499.637 2.690 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H]1C 1300789418 LROUJSAFFUPKPW-NTKDMRAZSA-N 470.643 2.672 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1300980460 JBTPIYAHPBUOHZ-LJQANCHMSA-N 453.547 2.988 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301435546 BNRZMPPGZMTMLQ-INIZCTEOSA-N 477.338 2.799 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](c2ccco2)C1 1301509227 CVDGJCDFCNGSIY-NRFANRHFSA-N 451.527 2.947 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1301528492 CSPQMAIPVROLAN-UYAOXDASSA-N 489.642 2.754 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)C1 1301565907 LQCZYTVADNIMEN-ROUUACIJSA-N 464.563 2.745 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCCC2)c1 1302429469 HNVQTTPUILKFFQ-QHCPKHFHSA-N 488.589 2.583 30 10 JFEE CCCN1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1313448782 BCVNHRNFSGJROM-LEWJYISDSA-N 487.649 2.996 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ncc(CC)s1 1358885866 SMJIZSLFZRSZFR-HNNXBMFYSA-N 457.629 2.958 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CC1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1358955604 PLDSBOKOBVMYFO-HSZRJFAPSA-N 469.655 2.940 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCS(=O)(=O)N(C)C 1358971096 IGXSYTOUWASPPO-UHFFFAOYSA-N 462.000 2.777 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1358983622 PQZJVHIHWJOONU-SBZFUYPRSA-N 483.613 2.850 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1359009997 DEYXDWVHXJGGAI-IQVDJAOASA-N 467.636 2.593 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359021163 DVWUICKCBWOJBR-BGYRXZFFSA-N 450.587 2.791 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1359037304 DXFIRXVKMAGLSS-JOCHJYFZSA-N 479.629 2.666 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1359182345 CNJZMEWSCJAGLW-UHFFFAOYSA-N 464.570 2.849 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 1359306624 MFNORXSSXURXGO-YLJYHZDGSA-N 477.631 2.753 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC[C@H]1C 1359476623 HWPDRGUXXHBOOI-IAGOWNOFSA-N 477.407 2.936 30 10 JFEE C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(Cl)cc1 1436648232 IRMTWPJXXZZHER-HKUYNNGSSA-N 458.923 2.768 30 10 JFEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ncccc1[N+](=O)[O-] 1474974629 VLFUFZDUJRTLBT-AWEZNQCLSA-N 452.286 2.900 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1503692135 HVJDAHQCJYTUEW-SFHVURJKSA-N 478.557 2.673 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507583570 TXNFSRDQFLBJGA-GOSISDBHSA-N 482.610 2.663 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507629456 MLYMPLYDAGVERA-JTHBVZDNSA-N 480.638 2.564 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507645663 AYEQRJSVGZNVNI-OAQYLSRUSA-N 470.499 2.773 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CCCCC1 1507653675 QAIOAYLOXJUDGK-RLWLMLJZSA-N 485.629 2.991 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1507659314 QGMKUCKYUGXFLS-UFYCRDLUSA-N 459.591 2.578 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(C(F)(F)F)c1 1507664971 RUJZICNRHVWKIZ-UHFFFAOYSA-N 477.454 2.846 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1507727753 SYSBTGNORLIADQ-HSZRJFAPSA-N 461.614 2.604 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccs2)N(C)C)CC1 1507739967 MJOPYSGQOOFQJH-OAQYLSRUSA-N 477.638 2.594 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccs1 1507798478 OCNXEDTTYFPVRD-LNLFQRSKSA-N 450.630 2.902 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCS1(=O)=O 1507996453 HMXGPGDPIACMSC-TZIWHRDSSA-N 460.600 2.951 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1508104546 LUGDIBSNWXMGLM-QFIPXVFZSA-N 482.610 2.588 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CCOCC2)C1 1508143772 NIMYBBSNDIFUCT-UHFFFAOYSA-N 474.627 2.680 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539029518 JYHDIAGEHOCANY-NVXWUHKLSA-N 496.431 2.502 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(COC)CCCCC2)c1 1539042408 FNCBHLKJCRUYCT-OAQYLSRUSA-N 478.597 2.882 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1539231642 URBRJMCQHXCCNQ-RBUKOAKNSA-N 493.427 2.762 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539315465 NPLAEXPQUGBDTE-XMMPIXPASA-N 471.609 2.832 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(SC)CCOCC2)CC1 1539462473 VISRDZFPPRAIJV-UHFFFAOYSA-N 455.628 2.833 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1539462788 YVTUROZNQKNZPI-VXKWHMMOSA-N 466.630 2.741 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2C#N)CC1 1539526912 WKFLXMXKEMGDOF-UHFFFAOYSA-N 491.646 2.834 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1539596712 OKEIIWWJNPONIL-RDJZCZTQSA-N 451.369 2.875 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CCOC 1539628496 QIJWLOMGLQUHEM-AVRDEDQJSA-N 477.569 2.540 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539729879 UCGHTYBQYTVJGV-HNNXBMFYSA-N 478.391 2.976 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNC(=O)C(C)(C)C)CC1 1539836404 SPNKPIXQZUOKMD-UHFFFAOYSA-N 474.631 2.514 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCC(OC)CC2)CC1 1539889907 DMXRRSUSVOKQOW-XVAXZDLZSA-N 481.663 2.609 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2OC)CC1 1539890362 NLKWNLINFVQHKD-IBGZPJMESA-N 460.600 2.843 30 10 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C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286626323 RZHFTQACJXHHAL-OXQOHEQNSA-N 489.020 2.704 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(NS(C)(=O)=O)CC1 1286769603 DFEJXGFUHPCOJE-UHFFFAOYSA-N 458.357 2.551 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286779736 MOBHISHSVUVLED-LJQANCHMSA-N 473.574 2.524 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C2CCCC2)CC1 1286779815 NCUABSLQGLQREE-UHFFFAOYSA-N 468.602 2.719 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286822384 CWUWPMGUGBTSMD-IBGZPJMESA-N 466.579 2.848 30 10 JFEE CCN(CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1295853846 ADMUEIGNHMAZOC-IBGZPJMESA-N 458.538 2.994 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(Cl)ccc2OC(F)F)CCOC1 1296662621 FERXMPNNJCHPKD-IERDGZPVSA-N 483.903 2.962 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CSCCS1 1300302683 CKGYGKQVAWPHBL-HOTGVXAUSA-N 454.625 2.981 30 10 JFEE 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CHOHLOLHPWDQRT-NHCUHLMSSA-N 490.649 2.590 30 10 JFEE C=CCC(C)(C)Cn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539928728 GNWRJKRTWYLZRO-FGTMMUONSA-N 497.662 2.543 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1540180821 VWPOYBMFYYBYOE-NRFANRHFSA-N 454.600 2.620 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540195860 KGYQGHCABUPOLF-INIZCTEOSA-N 453.996 2.519 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540197960 AONDOBGYORVMLQ-CTNGQTDRSA-N 456.591 2.827 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1540871115 DTQNRFCXAGFULM-MAUKXSAKSA-N 466.369 2.969 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](CC)O[C@H](C)C1 1540898561 NPKJPOKZQMFDLR-MJGOQNOKSA-N 470.599 2.940 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2cccs2)nnc1[C@]1(OCC)CCOC1 1540909023 VGKQCHARBTZAEI-UWJYYQICSA-N 466.629 2.934 30 10 JFEE CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)NC(=O)OC(C)(C)C 1541307295 CXORUKGJXNZDRA-RTBURBONSA-N 494.662 2.860 30 10 JFEE CC[C@H](C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1545299567 GTKATSFIPUCEPP-AVRDEDQJSA-N 477.617 2.565 30 10 JFEE Cc1cc(C)n(CCC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC2CC2)n1 1548369490 JHPRJTFTNKHYFD-OAQYLSRUSA-N 488.514 2.777 30 10 JFEE C#CC[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCN1C(=O)OC(C)(C)C 1556457406 FNEJKEBVJDEXNI-CPJSRVTESA-N 450.539 2.568 30 10 JFEE C=CCC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OCC 1569184737 YJCUZQFVMBICPQ-CQSZACIVSA-N 456.870 2.651 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1586746260 AQPHUMDYSCCYRI-AEFFLSMTSA-N 451.951 2.818 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1587830751 ASVOZRHWDRLENI-UHFFFAOYSA-N 491.596 2.756 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1588029759 LQNVERFDTFPIQY-RDJZCZTQSA-N 467.542 2.506 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588034612 JCYRAYOQNACXME-IRXDYDNUSA-N 466.604 2.937 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588065089 TZGXHHOPLSKYFT-VXKWHMMOSA-N 497.596 2.887 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CC1 1588473880 XSSNEPNJYDNQGD-OAHLLOKOSA-N 451.593 2.563 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Cc2cccs2)CC1 1588890745 FOCXLWSRBSTJFU-UQBPGWFLSA-N 485.654 2.836 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccco2)CC1 1594760822 RFGKTVUDOKLKPN-UHFFFAOYSA-N 454.556 2.791 30 10 JFEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1594971689 JJSTWMGVLPIIKR-JXFKEZNVSA-N 465.570 2.974 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cccs2)CC1 1595335094 MXTRIXPRIXEKFF-UHFFFAOYSA-N 458.613 2.770 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)C1 1595730054 SRTOTJJAEQZOLH-ICSRJNTNSA-N 484.557 2.881 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1595776744 DYCHLOLRXNNXEN-SFHVURJKSA-N 485.589 2.580 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)c2occc2C)C1 1595967719 FFYSHQKPPNJKNE-OAQYLSRUSA-N 489.580 2.843 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3CCOC)cc2C1=O 1606574169 BETKRFNRGNHLPH-KRWDZBQOSA-N 457.527 2.567 30 10 JFEE Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 1611477124 CDMOULILVUOEPN-QHCPKHFHSA-N 457.534 2.750 30 10 JFEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1 1612510585 AJUQWTLDWIBGFW-OALUTQOASA-N 469.615 2.978 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3cccc(S(=O)(=O)N(C)C)c3)n[nH]2)c1C 1627888204 CBYNKUQVKYQQEN-CQSZACIVSA-N 456.572 2.817 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N(CCO)Cc3ccc(OC)cc3OC)ccc2c1=O 1641247453 YGIIRONWNTVZKP-UHFFFAOYSA-N 455.536 2.523 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 1651801949 OAYIDCRQAGWUHH-MRXNPFEDSA-N 458.411 2.608 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(F)c1C(=O)OC 1665507028 OYWYUTLBHQJXJR-UHFFFAOYSA-N 454.520 2.636 30 10 JFEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1675313096 AWIKYEYQTUDIEG-QHCPKHFHSA-N 451.546 2.911 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1689910709 OGLOPQGMDJQQNO-UHFFFAOYSA-N 453.547 2.832 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689982113 IFIARGZBFLDLSD-RBUKOAKNSA-N 450.992 2.896 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)Nc1ccccc1 1690043189 SLVMNZPMSCNGRU-UHFFFAOYSA-N 489.605 2.730 30 10 JFEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1690131076 TWCIYAQSEZJYHD-UHFFFAOYSA-N 450.631 2.755 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCSC2(C)C)CC1 1690131929 AULULTXHSFCKHV-KRWDZBQOSA-N 458.657 2.557 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cscn1 1690159994 SXBULXGVBSVJTC-UHFFFAOYSA-N 476.653 2.655 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)CC1 1690375869 VZNZFPJXZURKIQ-FQEVSTJZSA-N 463.579 2.539 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cnn(C)c2)CC1 1690664296 NUAGXKKNPRMQEN-UHFFFAOYSA-N 475.384 2.614 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1690672954 JBYTXRIUGFRYEX-NRFANRHFSA-N 459.598 2.667 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNC(=O)C(C)(C)C)C1 1690697312 SOTLOBHDMRAPDV-MRXNPFEDSA-N 465.558 2.538 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3ccccc3OC)CC2)nnc1C(C)(C)C 1690731197 CHGWLWXJBKYHPT-UHFFFAOYSA-N 461.632 2.507 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1695009445 DQOSYSIKWFIFIV-NRFANRHFSA-N 484.626 2.527 30 10 JFEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1 1697492807 DBVZKRLBAXXRSC-YLJYHZDGSA-N 486.573 2.850 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCCC2=O)c1 1705480957 ZLVWYVQSANQLQM-KBMIEXCESA-N 451.571 2.952 30 10 JFEE C#CCCCCn1c(CC2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705519766 WCARUDRHKWTYAQ-RTBURBONSA-N 459.591 2.784 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccc(C(F)(F)F)n1 1705549733 GJDXXWXAEGERRX-UHFFFAOYSA-N 453.428 2.724 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1705570525 RAVFJKVBIOFBLR-QFIPXVFZSA-N 479.606 2.532 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1705572232 UYAUEWCORANTDT-KBXCAEBGSA-N 484.500 2.545 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCN(C)CCOC 1705591087 FMVGCUDHOUEMMG-UHFFFAOYSA-N 450.406 2.810 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705624661 KGNCFMAFCQHGTN-UHFFFAOYSA-N 459.598 2.616 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1705635220 UHLZBCZNQFNPCY-BVAGGSTKSA-N 472.678 2.586 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Sc2ccccc2)CC1 1705643394 DNELRUSYPVPGAM-ONTIZHBOSA-N 455.628 2.938 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCC[C@@H](C)C2)CC1 1705646667 MVOPLZQKHMNZEN-LJQANCHMSA-N 479.585 2.551 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705651676 FMCJTTFLQLLJLB-NTKDMRAZSA-N 469.611 2.898 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1705711016 XIUNXTQHCYPOCB-UHFFFAOYSA-N 454.556 2.780 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1705729314 SHQVYPXUPISJLY-UHFFFAOYSA-N 474.631 2.778 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705758617 AWWIQJDBNGSVMU-UHFFFAOYSA-N 468.949 2.885 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1705881623 VSBZPSHAEAYRKZ-GOSISDBHSA-N 455.584 2.875 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705885746 JGAGIRVZJBEUDZ-QFIPXVFZSA-N 455.950 2.533 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705885881 YTOBQZSNESJBHC-OAQYLSRUSA-N 472.037 2.652 30 10 JFEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1705887788 CTVJBDXJPKLUIV-UHFFFAOYSA-N 468.027 2.668 30 10 JFEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705892268 RHJCNCPFHWDUDX-OFNKIYASSA-N 452.603 2.649 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705902637 KGTZLXRUJMAWLR-UHFFFAOYSA-N 479.673 2.805 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705909217 QHVXMYVITCKKHI-NLWGTHIKSA-N 487.674 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705932715 YQVXCWDYPFMPDX-WIYYLYMNSA-N 470.599 2.735 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1705943478 BYXNVYIKLFKQDL-GOSISDBHSA-N 469.615 2.707 30 10 JFEE CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1710876657 GAPXDENCJOIFPS-JOCHJYFZSA-N 486.642 2.538 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1 1722290299 LIOOVQQSEYMWQM-UWHLTILDSA-N 490.649 2.544 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCO2)c1 1722305197 NFEQGMGQOQUITJ-BWKNWUBXSA-N 467.570 2.556 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722339069 VTQYQVPPGNAIKL-UHFFFAOYSA-N 472.512 2.705 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(C)=O)CC1 1722417328 DGWIZWABRPGLMX-UHFFFAOYSA-N 489.555 2.963 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2C(F)(F)F)CC1 1722445905 FAENAJQJABVPGB-UHFFFAOYSA-N 469.471 2.768 30 10 JFEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1722457912 RVVXSKVBYUXAHT-UHFFFAOYSA-N 493.637 2.565 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722459698 PLQSHJUMBFYEDA-QFIPXVFZSA-N 460.692 2.881 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1722466584 AJNZVMDXCVHVMJ-CTUHWIOQSA-N 472.611 2.577 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722476670 DRLCKICPHOZWTE-OAHLLOKOSA-N 469.428 2.702 30 10 JFEE C=C(Br)Cn1c(N2CCN(C3CCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722489483 PPYBJNROYBDMMU-FQEVSTJZSA-N 454.413 2.902 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722495234 WEVKBVLDSPBQHP-NVXWUHKLSA-N 481.523 2.884 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1722496734 ZRUCUYOZAZITRG-DYXWJJEUSA-N 488.610 2.719 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722524209 UPEHASBIBFWYLZ-UAKAABGRSA-N 477.606 2.935 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1722596773 NHIAIJOFTDYIGU-KSEOMHKRSA-N 473.643 2.908 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1722616717 BQDBUYTYSMJADS-JOCHJYFZSA-N 488.658 2.521 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722693608 UYZDBGAFFUWWTJ-USXIJHARSA-N 478.366 2.868 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1722726100 ZOBBOEBSBRTXOZ-UHFFFAOYSA-N 468.583 2.633 30 10 JFEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1F 1723816537 HLYYRBFAZHFUTR-QRQCRPRQSA-N 453.453 2.974 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1729187135 IFGHQXQNMVGVKU-AQNXPRMDSA-N 488.658 2.575 30 10 JFEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1731024907 ACAXBUIKCALGGW-UHFFFAOYSA-N 462.645 2.819 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740617785 XGZGLWQOUFNHQL-UIFIKXQLSA-N 461.607 2.860 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1cccc(Cl)c1 1740646671 HUTBFVPYUWLREX-ZEQRLZLVSA-N 456.974 2.954 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 1740688926 WZDBFKGDSZYQGT-ZCNNSNEGSA-N 461.607 2.987 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CSCCS2)n1 1740689185 QVSMKNVGMQQSBJ-LJQANCHMSA-N 471.656 2.615 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1740691113 UTVPQIAFUIOQBK-YADHBBJMSA-N 485.654 2.615 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740696936 LMAQPPSHCNWUKV-SANMLTNESA-N 463.582 2.750 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN(C)c2ccccc2F)CC1 1740699811 UVXUXXJSNKZDIV-UHFFFAOYSA-N 495.628 2.690 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNC(=O)OC(C)(C)C)CC1 1740703330 OCIVXUNXHAOEIM-UHFFFAOYSA-N 496.612 2.834 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740777448 ANWQDGYMKQJEOQ-SFHVURJKSA-N 466.007 2.841 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1740792627 JUBKMDQTIUHYSP-FQEVSTJZSA-N 470.530 2.778 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740888000 ODABQVLCCOOGRD-SFHVURJKSA-N 497.662 2.609 30 10 JFEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1741000718 VIJRCCDHRSIHLL-QGZVFWFLSA-N 481.626 2.651 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1748690728 WOIKAZNIWYXLEO-QRVBRYPASA-N 460.623 2.618 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CC)C2)c1 1748692136 RXJFPUAMWAKITK-AJTFRIOCSA-N 494.640 2.717 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCC)[C@H]1CCS(=O)(=O)C1 1748808217 BJQSAIGNFRKGJT-HNNXBMFYSA-N 467.389 2.753 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748815435 QITNONAXRQJNCR-HJNYFJLDSA-N 471.627 2.671 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1748819708 SBANGMZNGQLIHV-NRFANRHFSA-N 494.621 2.511 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748835743 HMWQLXJSKASWFG-GOSISDBHSA-N 461.961 2.567 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1c(C)noc1C 1748964695 MTRQKVIHKSHXOE-HXUWFJFHSA-N 488.589 2.520 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749020354 QIQHRIFKAFYJOD-UZUQRXQVSA-N 490.029 2.612 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749039090 PVPZVLDDGZFHKN-OAQYLSRUSA-N 453.612 2.777 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749103330 UDKHUOYGZDKSAG-QWHCGFSZSA-N 466.302 2.586 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1749105401 GDKPDXQNLICXGU-UHFFFAOYSA-N 463.424 2.967 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1749128709 YNVAWDZIJXWOAI-XCRACJGTSA-N 472.634 2.732 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1749144092 RUNGRSJOALIIHP-QRWLVFNGSA-N 456.012 2.852 30 10 JFEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1749174915 HCGICXMKYZLILE-FQEVSTJZSA-N 499.641 2.788 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1749369044 WXCBZTDAINVXTC-BHIFYINESA-N 492.734 2.777 30 10 JFEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1749383968 MPHXJFVNXLOSJH-UHFFFAOYSA-N 476.599 2.796 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749651196 PIXPFWQNGTZXHZ-SLFFLAALSA-N 468.602 2.792 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](OC)C(C)(C)C1 1749657735 BYMDDAVVORSSSN-ZDUSSCGKSA-N 454.394 2.933 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1749714410 JKVJGGJCNKLNFL-ICACTRECSA-N 451.596 2.972 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1749752236 MQDPJBHIUVLJCG-UHFFFAOYSA-N 452.584 2.894 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1749828546 GLMNFKGRMVLQBD-WOJBJXKFSA-N 479.629 2.763 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)C1 1749994345 HXBZBIBWYIZMEQ-NYVOZVTQSA-N 466.586 2.754 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1750490174 BDQSINPLAMTGNS-GOSISDBHSA-N 457.579 2.654 30 10 JFEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1750776650 FYUKXZWCJFUWRI-QPPBQGQZSA-N 489.642 2.929 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)n1 1751834525 HIVZUOBJRFTZSG-UHFFFAOYSA-N 467.599 2.615 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1760112912 NOOQIGQKYXRLLN-QHAWAJNXSA-N 474.650 2.819 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccco2)c1 1760127532 CILJUXSQEBYFBA-SANMLTNESA-N 487.564 2.697 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCC2)c1 1760128928 WMSOWCJYADUUCJ-LJQANCHMSA-N 469.611 2.817 30 10 JFEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760158556 OGOZWLICDQXYKN-ZJSXRUAMSA-N 464.614 2.568 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 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C=CCNc1ncc(C(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)s1 1155070842 WXQUTFOMCIJIND-OAHLLOKOSA-N 451.593 2.767 30 10 JFEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C(F)(F)F)[C@H]3C(F)(F)F)CC2)o1 1170332313 FFRKVFUTZPTPSF-DOMZBBRYSA-N 453.387 2.709 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)N1CCSCC1 1286421163 NQCFFBPVKSEJSC-UHFFFAOYSA-N 483.619 2.533 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1286478744 FPQYORGTDNLNJI-UHFFFAOYSA-N 475.544 2.564 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(Cl)c2)CC1 1286493337 NRGAOTPSBPKAPE-IBGZPJMESA-N 471.989 2.848 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286498612 BCWNDYVEMPCKDE-FQEVSTJZSA-N 466.611 2.895 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286508369 KZYNKFKQSNQIBA-UHFFFAOYSA-N 481.601 2.694 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)[C@@H](C)CCC 1286518472 WBLKXJHVYHWFBD-MHECFPHRSA-N 471.627 2.893 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1286564043 LZWWROBHABINSN-RCZVLFRGSA-N 467.614 2.730 30 10 JFEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286702300 JYEMCVGZOIETJF-OAQYLSRUSA-N 477.606 2.605 30 10 JFEE C=CCNC(=O)Cn1c(C)nnc1N1C[C@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1286779329 IPBGNDYWAMUFPH-GTJPDFRWSA-N 462.913 2.985 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1286790471 SCIQGBWWFCKCGQ-UHFFFAOYSA-N 482.585 2.901 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)C2CCCCC2)C1 1286810631 UDVDPOGEKSNBHZ-TZIWHRDSSA-N 465.664 2.616 30 10 JFEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1286835236 PUYSSTBWMWELNQ-UHFFFAOYSA-N 459.572 2.864 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1287047240 CSHQBMQWUFHGPV-CTNGQTDRSA-N 465.602 2.998 30 10 JFEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2nccnc2C)cc(OC)c1OC 1299836281 BXMLUXAOCLRGSK-OAHLLOKOSA-N 451.531 2.908 30 10 JFEE 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2.644 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1359328761 NQBNVAXNSOYHSN-FXAWDEMLSA-N 478.640 2.718 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC)(CC)C1 1359329905 YVNDBFVURZTAOA-UHFFFAOYSA-N 470.603 2.538 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1359333054 NAJOKFLJHPRERC-RBUKOAKNSA-N 481.663 2.817 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1360508617 GIOVSWHMCKKVHD-HBFSDRIKSA-N 460.604 2.543 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N(CCCC)[C@@H]2c2ccccc2OC)CC1 1459469304 SKUARRMJEBCXBO-XUZZJYLKSA-N 453.583 2.763 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)C1 1466735322 AWKUOPREIXQCHK-JSGCOSHPSA-N 453.421 2.793 30 10 JFEE COc1ccc2ncc(C#N)c(OCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)c2c1 1473052273 HJLQVIUGONBOIX-GOSISDBHSA-N 457.552 2.842 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 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C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1507929819 VZWYRDOXLSQRMJ-AVRWGWEMSA-N 466.586 2.915 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1508071117 BDGOQMXAGOLFBF-KRWDZBQOSA-N 467.599 2.596 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(F)(F)F)CC1 1508078821 JVATWDJORWKUQA-UHFFFAOYSA-N 451.449 2.797 30 10 JFEE CCNC(=O)c1ccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)cc1 1515986624 FWSXMCRNTARFQE-IBGZPJMESA-N 487.612 2.988 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC(C)C)nc2)C1 1517681007 GTYXHHYWPOGCHW-HXUWFJFHSA-N 476.537 2.959 30 10 JFEE C#CC[C@@]1(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCCN1C(=O)OC(C)(C)C 1519864516 FZJKGWOXJPTTNT-VWLOTQADSA-N 455.555 2.568 30 10 JFEE CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)CCC2 1532522217 BDKMSFGNXLXJCH-SFHVURJKSA-N 456.543 2.753 30 10 JFEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539051895 IWYFPFDOWBPZDA-SFHVURJKSA-N 485.386 2.984 30 10 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2.670 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1539931494 LEHZKUGWWDAMHJ-UQBPGWFLSA-N 485.633 2.930 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCOCC3)C2)cc1 1540876797 AZZFSRJKVJFUFN-LJQANCHMSA-N 489.642 2.898 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540899661 WVJSWMZJVKRYRK-JKSUJKDBSA-N 480.612 2.550 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540900612 BIUBDEKXVWDONY-QGZVFWFLSA-N 478.619 2.710 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1541218672 BDVWIUSXONRRLL-WOJBJXKFSA-N 468.558 2.726 30 10 JFEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541790271 ATFFNRQOKWGSSY-WMZOPIPTSA-N 454.556 2.889 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 1543422163 CBSXYRVYVKHMCG-FPOVZHCZSA-N 457.571 2.740 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@H](C)O1 1546769218 BIKLHPLCLYVNSO-PKOBYXMFSA-N 452.559 2.778 30 10 JFEE Cn1ccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@](F)(C#N)C2)n1 1554341539 GGAAIBIAYAEOSD-SBUREZEXSA-N 472.569 2.811 30 10 JFEE C=CCN(C(=O)c1n[nH]cc1I)[C@H](Cc1ccccc1)C(=O)OCC 1556205313 YAIDDKGHQGZVSA-OAHLLOKOSA-N 453.280 2.817 30 10 JFEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1559675076 ACGROBADCIJPGK-UTKZUKDTSA-N 450.580 2.787 30 10 JFEE C=C(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(F)c(F)c1 1585436366 SDGILBFNJBUBOO-FQEVSTJZSA-N 452.527 2.841 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CCCC2)c1 1587683062 AEKNWMLGWNRCCZ-GOSISDBHSA-N 486.642 2.915 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(C)C)cs2)c1 1587692736 JXZNJJQNMPHNRP-SFHVURJKSA-N 477.594 2.914 30 10 JFEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1587754754 LKPUYVYCNURNNK-UHFFFAOYSA-N 469.567 2.849 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1588069586 QTMSLWVFTROYJH-LJQANCHMSA-N 485.635 2.914 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(F)ccc1OC 1588214429 TUOWQQGLVFCFLE-UHFFFAOYSA-N 480.569 2.897 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1588638044 NOVWUSMPXYTWJA-WMZOPIPTSA-N 453.440 2.936 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2C(F)(F)F)CC1 1588751835 NZVHFHPTZYWCPL-QFIPXVFZSA-N 463.504 2.753 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1588913476 KMECWUFFFFNRFL-QZTJIDSGSA-N 463.508 2.938 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(CC)(CC)OC)CC1 1588954310 FDXOYVPAXZVGLZ-UHFFFAOYSA-N 458.632 2.805 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](COC)C1 1589007724 PFWMBZOXFCZSDI-SFHVURJKSA-N 462.641 2.968 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1589505486 MJYWJJOHSPABIM-REWPJTCUSA-N 453.587 2.959 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589516302 ZGISYTQUEWVANK-RXVVDRJESA-N 476.647 2.515 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1593718042 OKYIDWBZQXAYOM-HNNXBMFYSA-N 471.986 2.800 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1593741557 RZFUMTXVXXTZHV-SLFFLAALSA-N 479.622 2.835 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNS(C)(=O)=O)CC1 1594218800 SZZHRIYJLKFBLN-UHFFFAOYSA-N 472.384 2.798 30 10 JFEE C=CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453330 UPDDBGGPSOMNAZ-KDURUIRLSA-N 464.574 2.828 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(NC(C)=O)CC1 1595830913 JGFMREJFWRCXBF-UHFFFAOYSA-N 477.656 2.585 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1595884056 GOOXDXCDKQQVPX-INIZCTEOSA-N 483.610 2.704 30 10 JFEE CS(=O)(=O)N1CCc2cc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)ccc21 1635679387 BAUFNGDKGRQENZ-OAQYLSRUSA-N 458.971 2.685 30 10 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CTCQYFTWSYFIKX-FQEVSTJZSA-N 479.585 2.944 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760421578 SYRXQKPAGWHVNF-RTBURBONSA-N 480.679 2.720 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760526193 HEFNDRBODKKOGG-OAQYLSRUSA-N 478.601 2.826 30 10 JFEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)N1CCCCC1 1760809206 CEDYVGUBXQHJSC-UHFFFAOYSA-N 485.658 2.599 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCO[C@@H]1CCCC[C@H]1C 1761480600 IEQFJWMUIASNOC-ZIFCJYIRSA-N 452.625 2.614 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC1(C)C 1762289012 FIHRWHRGBAFSJZ-GOSISDBHSA-N 450.591 2.836 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](C)(C#N)C1 1765594878 FRINNVXADUJVNK-HSZRJFAPSA-N 486.646 2.531 30 10 JFEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1766722492 AUKGXFSXAWAXLI-FQEVSTJZSA-N 484.582 2.837 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1769441152 CRGLZKJXYCLEMW-OAHLLOKOSA-N 469.452 2.504 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCN2CCCO)C1 1770726314 DQHHCYHCEYCFIC-NQIIRXRSSA-N 477.382 2.996 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC(=O)N2CCCCC2)c1 1771531258 HRUJNLGBVPROFZ-UHFFFAOYSA-N 475.519 2.904 30 10 JFEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3cccc(N)c3)cc2)c1 1859008109 DLKVBUHFRWTYFX-UHFFFAOYSA-N 464.503 2.590 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@@H]2CO)=C(N)Oc2c1c(C)nn2CCC 1865224211 LSHIAYDLHQPPSE-DYESRHJHSA-N 452.555 2.844 30 10 JFEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cc(=O)c4ccc(N(C)C)cc4[nH]3)sc2c1 1866502651 UXGFRYRLHJUOMH-UHFFFAOYSA-N 483.575 2.920 30 10 JFEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1870098013 JBZIEHBWTYMNKH-UHFFFAOYSA-N 463.273 2.919 30 10 JFEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155621 WRTXQAMKURETTO-UHFFFAOYSA-N 479.294 2.699 30 10 JFEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870502141 BKNDVWFHVSJOBB-UHFFFAOYSA-N 483.569 2.970 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccc(OC)cc2)cn1CCCCCO 1870644138 RBAYDNAFBUFDNN-UHFFFAOYSA-N 497.636 2.931 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870698119 ARFSZGPZAITSPW-UHFFFAOYSA-N 483.565 2.789 30 10 JFEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873595521 GXAJYVRDIQNNET-UHFFFAOYSA-N 470.581 2.961 30 10 JFEE N#Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 1873868993 ZOQLPYATZAXXDV-SFHVURJKSA-N 452.536 2.724 30 10 JFEE CCc1ccccc1NC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)cc1 1874431926 FNHQNSREYMANAV-WYMPLXKRSA-N 452.540 2.795 30 10 JFEE CCCNC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cc(OC)c(OC)cc1OC 1874460997 QXRJGGFCJIDNJF-NUGSKGIGSA-N 461.466 2.823 30 10 JFEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCCCO)ccc1OCCN1CCOCC1 1874491293 JTUXYLDOSAOFDG-JJIBRWJFSA-N 477.631 2.553 30 10 JFEE Cc1ncnc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)c1C 1889590977 HYAVZKPUCQMZQD-PKTZIBPZSA-N 478.622 2.707 30 10 JFEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCC(Oc4ncccc4C#N)CC3)n2)cc1 1891425455 LLXFFBVDWGSNGK-QGZVFWFLSA-N 459.506 2.817 30 10 JFEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN(C(C)C)C(C)C)cc1 1891618850 YHXGSNDCUKCCCF-JOCHJYFZSA-N 492.642 2.647 30 10 JFEE C[C@H](C#N)c1cccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)c1 1891619720 HTNHSRAZCYMTHH-GOSISDBHSA-N 452.522 2.859 30 10 JFEE N#CC1(CS(=O)(=O)Nc2cc(I)cc(I)c2)CC1 2047581793 OKOMLVWYXCNTLW-UHFFFAOYSA-N 488.088 2.941 30 10 JFEE Cc1nc(I)c(I)n1-c1nc2c(cc1C#N)COC2 2129713603 XMISUFKHHLJZPJ-UHFFFAOYSA-N 478.031 2.687 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180968025 XYXGYVATRMIGLS-MOPGFXCFSA-N 460.380 2.532 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H](O)C(C)(C)C 2206615187 WHQIGYGBNQGCGR-IAGOWNOFSA-N 463.384 2.620 30 10 JFEE C=C(CS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255954191 UOLUCSHMPTXOPV-LTIDMASMSA-N 456.414 2.785 30 10 JFEE C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256625925 DEGNOSINOWSGAY-RRMDADRESA-N 451.398 2.923 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267000906 DKQNXDQZHYDUFB-CLWVCHIJSA-N 463.409 2.864 30 10 JFEE CO[C@@H]1CN(C(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1NC(=O)OC(C)(C)C 2267230095 JCJGPMPHBPBHJA-HUUCEWRRSA-N 466.409 2.720 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCO1 2267285201 HWECDUKGWHRMSR-HUUCEWRRSA-N 466.409 2.849 30 10 JFEE CC[C@H](CNS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267364465 ZNLKXQXZJGGTGA-MRXNPFEDSA-N 468.425 2.876 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4C[C@H]3[C@H]4NC(=O)OCc3ccccc3)cc2)OC1(C)C 2267371537 BQTADQDZFHNKQJ-COPCDDAFSA-N 498.410 2.674 30 10 JFEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1NC(=O)OC(C)(C)C 2267371943 HNGPQNSQPAREMV-LSDHHAIUSA-N 486.465 2.971 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)cc2)OC1(C)C 2267375025 AFLOEILVJWJTQZ-QFIPXVFZSA-N 457.401 2.948 30 10 JFEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267469372 UPUINFPFGVDNGY-UHFFFAOYSA-N 460.380 2.630 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCN3Cc3ccccc3)cc2F)OC1(C)C 2267704044 HFNLLRBHHXKTEG-SFHVURJKSA-N 460.380 2.678 30 10 JFEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267716187 JGJCLSQSXRZXAH-LSDHHAIUSA-N 486.465 2.829 30 10 JFEE Cc1nc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2272649594 IEZRLRDMPRIQHT-JLCFBVMHSA-N 463.409 2.738 30 10 JFEE CCc1nn(C)c(C(=O)N[C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281981470 ZCGWPRUHJOAWMJ-HNNXBMFYSA-N 464.416 2.657 30 10 JFEE CCc1nn(C)c(C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2281982979 QVJGOVFVEDSJTK-LJQANCHMSA-N 496.417 2.813 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)n1 2281995789 HLYLMRHCOFENSC-CVEARBPZSA-N 462.400 2.578 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2281996049 KMOWAJZLSKMGRC-HSZRJFAPSA-N 462.400 2.579 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)n1 2281997129 XWSFQGOSMMNGKO-UHFFFAOYSA-N 462.400 2.627 30 10 JFEE CC[C@@]1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCCN1C(=O)OC(C)(C)C 2282045312 VGLWOSADKFIJKH-QHCPKHFHSA-N 462.400 2.629 30 10 JFEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2282177583 HXHLRVSYXLCPAI-UHFFFAOYSA-N 476.404 2.845 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C 2282308353 QFXRWIKNQBKPAG-WCQYABFASA-N 496.382 2.576 30 10 JFEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)ccc2F)OC1(C)C 2282475179 LGXHJVMMEWGNIX-ZDUSSCGKSA-N 458.261 2.656 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]21 2282520540 SOMPBHOVYBFCID-LPHOPBHVSA-N 457.380 2.852 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1(C)C 2282537583 SOPHMCIEUXAVAK-CVEARBPZSA-N 463.359 2.942 30 10 JFEE CC1(C)OB(c2cc(C(=O)N3CC[C@@]4(CN(Cc5ccccc5)CCO4)C3)co2)OC1(C)C 2282540145 FMOWQWSRHPQJQW-RUZDIDTESA-N 452.360 2.696 30 10 JFEE Cc1c(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555466 UANCTHROLDBKKW-MSOLQXFVSA-N 452.408 2.763 30 10 JFEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283070327 WIYRKLRJBWIXDB-HNNXBMFYSA-N 460.384 2.541 30 10 JFEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2283956849 MIKQFWLXZRMDMR-KRWDZBQOSA-N 462.352 2.689 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2283983965 QLOWKNJFEJUIRC-INIZCTEOSA-N 478.420 2.568 30 10 JFEE COC1(C(=O)N(C)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 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C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)[C@H](C)C(=O)Nc3ccccc3OC)cc21 586282028 JMSKUDGJXNKZET-HXBIAZDMSA-N 470.547 2.954 30 10 JFEE C=C1C[C@@H]2[C@]3(C)C=CC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@]12C 618006281 NETXGRNQKFELFY-ADRWPWGLSA-N 470.518 2.815 30 10 JFEE biogenic C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2cccc(OCCOC)c2)c1 726406005 SUUVFZRIXQUHOH-NRFANRHFSA-N 451.548 2.961 30 10 JFEE C=CC[C@H](NC(=O)[C@@H]1COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757282455 XWPNRRGZMIMUMS-BHIFYINESA-N 450.491 2.686 30 10 JFEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)cc1 1084611895 YEUYBHRKQKZZMR-UHFFFAOYSA-N 454.472 2.848 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(=O)OC)cc3)C[C@@H]2C)c1 1136572389 YNVVBTGPWOAAFK-SFHVURJKSA-N 454.548 2.621 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)NCC(F)(F)F 1286277091 ATTCGEOUQSRHHY-HUUCEWRRSA-N 453.465 2.953 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286314889 IEVPIMQKZPTNQV-VQTJNVASSA-N 472.659 2.918 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1286336647 ZEJCYVYWTJPFAV-UXHICEINSA-N 458.607 2.674 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286398709 MZZBDVWIAJUCMH-YPAWHYETSA-N 491.702 2.698 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)CN(C)C 1286408789 LMYJPWJIDAIRLM-UHFFFAOYSA-N 459.598 2.726 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1nnc2n1CCCCC2 1286424752 JSWOZXVQQCHEAL-UHFFFAOYSA-N 473.581 2.986 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(Br)c2)CC1 1286475701 GVTWKVAOLHEQAS-UHFFFAOYSA-N 467.371 2.915 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2N(C)CCCC2(C)C)CC1 1286484178 JSKJEMWFBOVNSK-JOCHJYFZSA-N 454.594 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CN2CCCC2)CC1 1286491565 XYJMEQLDFOGTRZ-FQEVSTJZSA-N 466.605 2.706 30 10 JFEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286594139 BVSSQUWFGUGPQI-UHFFFAOYSA-N 451.619 2.611 30 10 JFEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCS(=O)(=O)N(C)C)CC1 1286638707 KAENGUZPAUWBAO-UHFFFAOYSA-N 472.384 2.895 30 10 JFEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286676178 XLAOPRSBJHBKNJ-UHFFFAOYSA-N 493.612 2.504 30 10 JFEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286689658 YEJBECYPFGJAGA-UHFFFAOYSA-N 487.655 2.896 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286749446 SJIXXKLKIFOXSG-MSOLQXFVSA-N 465.645 2.708 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286783102 GTVJBECTABXSFK-AZUAARDMSA-N 468.602 2.718 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1286815121 MACOENPSNXWPNK-IOMROCGXSA-N 492.667 2.964 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1c(C)nn(C)c1C 1286815524 ALQUDTUTNDAWBK-UHFFFAOYSA-N 463.995 2.581 30 10 JFEE 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30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705598161 CLUFAWDJAFFCOE-KRWDZBQOSA-N 451.518 2.795 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1705619298 MTSMRCTZOUGZJR-UHFFFAOYSA-N 468.920 2.631 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCSC)CC1 1705638901 AWWIDKMCAXMGQJ-UHFFFAOYSA-N 462.664 2.901 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Br)cc2C1 1705662019 NUTYNIUJXFYMQS-MRXNPFEDSA-N 495.468 2.872 30 10 JFEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCOC1 1705679415 MXKSNNPXVPOXOQ-HNNXBMFYSA-N 454.756 2.995 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705684185 IUGGYMGNJLRDSF-SFHVURJKSA-N 463.292 2.793 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1705687474 FDCZTSATDKKMNH-QGZVFWFLSA-N 498.422 2.550 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705722203 ALDKMSDKRIFLIN-HXUWFJFHSA-N 458.632 2.836 30 10 JFEE 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2.778 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722379220 YBFYNWCSCWMCDY-UHFFFAOYSA-N 473.480 2.907 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCc2sccc2C1 1722404903 FPCZXFGNBUPZKP-UHFFFAOYSA-N 469.636 2.928 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2nccs2)CC1 1722438281 VAUHOAWHYCYIKX-UHFFFAOYSA-N 471.631 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCC(C)CC2)CC1 1722448527 DFVAHIHCZHBMRW-UHFFFAOYSA-N 477.657 2.742 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722455428 RPDZDJSSFFYDQJ-UHFFFAOYSA-N 478.416 2.545 30 10 JFEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722464904 AYQZCTWLDWNPGU-QHCPKHFHSA-N 455.584 2.871 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722467151 NIJDBEVLSJTPJF-KCXPTXFHSA-N 451.637 2.722 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1722513493 XUYOSVXDLKVANR-UHFFFAOYSA-N 463.586 2.901 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccsc2)CC1 1722523538 YHUGSGYHCSEFMF-GOSISDBHSA-N 451.618 2.633 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1722538048 TZYCFLFFQONBLQ-AZUAARDMSA-N 479.672 2.718 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1722592162 VJCOSMJDPAIGCV-UHFFFAOYSA-N 493.612 2.748 30 10 JFEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722599745 HGPHLDZTPLTEBI-UHFFFAOYSA-N 452.603 2.591 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722609314 VNMLVHNTGUGPFV-AEFFLSMTSA-N 458.950 2.762 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722692993 APUPAERFWVFUAL-GOSISDBHSA-N 498.628 2.643 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1722703618 DKASFDVUHFCRNQ-GOSISDBHSA-N 452.588 2.651 30 10 JFEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1723399606 BOGKBGVEHWOMRI-UHFFFAOYSA-N 474.569 2.595 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)c1C 1724062417 AQRFNGRWJKIJKU-BHIFYINESA-N 468.602 2.611 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CCOC)C2)CC1 1728628875 HMYSRNTXKVSYSX-JTHBVZDNSA-N 465.646 2.953 30 10 JFEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CCOC1 1728794307 HPWDVEANLFIBKF-UXHICEINSA-N 484.454 2.757 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740604349 DMHCJPAHGAQFCC-MRXNPFEDSA-N 460.376 2.580 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)Nc1c(C)cccc1C 1740610390 ZBIGPQPOKZGNLE-UHFFFAOYSA-N 458.570 2.777 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740629065 ZNTYWWVFGVJLLK-XWTMOSNGSA-N 463.604 2.558 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740676249 XFZFFZIVEISUCC-GBXCKJPGSA-N 455.534 2.533 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCSCC2)cc1 1740682974 PHMKXAWATQZFGH-UHFFFAOYSA-N 450.612 2.971 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1740683855 GPFVAQLCAWKNRI-FUDKSRODSA-N 451.571 2.792 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)N2CCOCC2)CC1 1740700187 JKBUSOSFZYSJKT-IBGZPJMESA-N 475.062 2.700 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC(C)(C)O)CC1 1740708048 AGCWNBNBHWTRSA-UHFFFAOYSA-N 488.032 2.988 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740722555 CHESXAJITKNQIC-KBMIEXCESA-N 479.633 2.689 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCCS(C)(=O)=O 1740730660 FJCZQICYTKVBMG-XMMPIXPASA-N 485.658 2.659 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1740734558 IMKQMLFLEXFEKT-UDNALAFJSA-N 474.565 2.992 30 10 JFEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740789819 LFMLXSAUGMWSPS-LJQANCHMSA-N 470.599 2.604 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740816778 MWFDXAFENHKXHF-QRVBRYPASA-N 481.041 2.960 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(Cl)cccc2OC)CC1 1740839571 LESKQGXNRDQWJX-FQEVSTJZSA-N 496.033 2.724 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740867840 XSUUBRFCURPDDD-UHFFFAOYSA-N 479.629 2.858 30 10 JFEE CC(C)(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1741151794 BCQMQMOGGJTQNF-UHFFFAOYSA-N 475.597 2.728 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1743889048 CVZUPNNFIODRFS-MRXNPFEDSA-N 463.508 2.806 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1748731068 ZZPGFPJQDFUMIV-IBGZPJMESA-N 476.516 2.878 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1748804688 JVXSHUNZHODKKG-IEBWSBKVSA-N 478.590 2.857 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748824148 JWBMBOGDQMLJNW-ICSRJNTNSA-N 481.018 2.808 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC(=C)Br)n1 1748970765 RDWSVBCXAQQCDS-UHFFFAOYSA-N 456.348 2.731 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1748993842 OJXVZTAVOOQNSB-UHFFFAOYSA-N 456.660 2.575 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1749038267 JJGOMABSBRXGHS-KRWDZBQOSA-N 475.596 2.624 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749114459 CTVOUGAIBAVOHK-ICSRJNTNSA-N 474.606 2.552 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1749136944 UXCNHUCVAJCFQM-NFBKMPQASA-N 468.602 2.515 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1749154440 TVYWTRNCJCKZOA-UHFFFAOYSA-N 463.586 2.853 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1749159772 YIZWUOIAMHPXMR-FQEVSTJZSA-N 465.664 2.618 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@H](C)C1 1749253480 PALRFIYIFSQTDN-CQSZACIVSA-N 457.804 2.956 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749408377 ICDFGMBMWVXVLW-UHFFFAOYSA-N 465.480 2.787 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1749677774 KOFWXMUUQHKRJN-BGYRXZFFSA-N 496.612 2.771 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1F 1749721310 GLRVUVSDHHLOAW-INIZCTEOSA-N 472.546 2.863 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2cccc(C)n2)c1 1760124806 BFPVWSCIQLIBHF-UHFFFAOYSA-N 452.522 2.737 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760146282 IKSPFYQSJSGUAN-LJQANCHMSA-N 485.658 2.845 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)NCCOC)CC1 1760152327 IWQBGXZVJLEDLO-UHFFFAOYSA-N 462.554 2.993 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1760157557 SVGIWTCADVYAMN-SFHVURJKSA-N 457.600 2.705 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C1CCCCC1 1760165180 LJTFQPILYFBSPO-UHFFFAOYSA-N 457.648 2.881 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(F)cc(OC)c1 1760165652 ZHPUDEARAXDFSD-UHFFFAOYSA-N 456.547 2.812 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760178532 QWHGRYWPTVHSEK-LJQANCHMSA-N 467.492 2.588 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1760182176 HPSJZJHIRYVNHA-NFBKMPQASA-N 469.655 2.867 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760182242 CVGHCIWQORESLC-RDGATRHJSA-N 481.622 2.775 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760183486 PNMWYYNJBOTJQU-OAHLLOKOSA-N 495.005 2.767 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1760183629 PUTKFFLIQXNALW-KRWDZBQOSA-N 466.966 2.957 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760185002 NOAYUBRDSCRCKO-NRFANRHFSA-N 499.637 2.971 30 10 JFEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760207174 ZFRYKIPAWVRPLX-JOCHJYFZSA-N 484.604 2.813 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1760218443 GRQLZYJAKXVTHD-QFIPXVFZSA-N 495.628 2.747 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1COCCO1 1760240233 LHLVABQJXNEZRR-FQEVSTJZSA-N 464.501 2.510 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1760266394 XJMVQHIURWUUSY-QYBDOPJKSA-N 498.628 2.693 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@](C)(O)c2ccccc2)CC1 1760268161 NIJCAWYSLIYSCD-SANMLTNESA-N 458.566 2.604 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760274767 SPXPVYLRHQFUEA-KRWDZBQOSA-N 460.401 2.885 30 10 JFEE C#CCSCCn1c(N2CCN(C3CCC3)C[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760286757 UXBJWFJDKSGRLY-YKSBVNFPSA-N 461.676 2.996 30 10 JFEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760307902 XZTCYRPETDBKAF-HNNXBMFYSA-N 463.336 2.925 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1760326954 AEURBYODVLXLMU-GBESFXJTSA-N 497.662 2.812 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1760331768 MPXXQSRMCLHDOZ-GOSISDBHSA-N 461.588 2.543 30 10 JFEE C=C(Cl)Cn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760380941 TYNPRSKUONOHPJ-JHVJFLLYSA-N 453.971 2.786 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)C1 1760535179 MQQPGCWNNJZGSH-UPTQXZAWSA-N 478.018 2.554 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1760553980 NTVGRNOKHGMQNK-DYESRHJHSA-N 470.599 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760555190 ZOPMPGCFRRWARR-HSZRJFAPSA-N 496.580 2.522 30 10 JFEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1763893115 DRSLOYHMIJYFNL-WIYYLYMNSA-N 458.632 2.951 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1764664299 CJEFYUFSPQOLBH-IAGOWNOFSA-N 483.642 2.981 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)CCOC1 1765878849 AEIMKKYRWCMJAP-DHIUTWEWSA-N 471.537 2.514 30 10 JFEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1766973389 IETYVOLVHYCZLI-LJQANCHMSA-N 477.573 2.922 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC2CCCC2)nc1 1768942521 AIPLXSLBSZUFJE-UHFFFAOYSA-N 495.609 2.567 30 10 JFEE 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(Br)[C@@H](O)C[C@@]21C 1848440817 PLVGDQKUTWULDB-QASXIVFNSA-N 495.410 2.892 30 10 JFEE COc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862440530 YXARAGNTRRZABT-IBGZPJMESA-N 474.897 2.777 30 10 JFEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862592267 YYWXYRSWDXSTJK-QFIPXVFZSA-N 452.507 2.701 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864011413 HHSBHFKUBCGLGY-FQEVSTJZSA-N 450.470 2.787 30 10 JFEE COc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1OC 1870140543 XJFARNXNANDULK-UHFFFAOYSA-N 475.292 2.831 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870337980 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C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540865005 RJRXYTKGMYNEKF-LJQANCHMSA-N 495.584 2.620 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540908767 NHONPUOSIHDGMK-QAPCUYQASA-N 496.058 2.539 30 10 JFEE CC(C)COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1541574324 ASMCPASXTHOZHB-VWLOTQADSA-N 482.585 2.804 30 10 JFEE CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1542768393 BFXQTVPPJHFCFB-VXKWHMMOSA-N 453.612 2.779 30 10 JFEE COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)cc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367770 MTKYUBWRQMDIDT-NRFANRHFSA-N 490.482 2.679 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1554806418 GZSRWGPRMZEZHO-BFUOFWGJSA-N 498.378 2.593 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1557545088 UWBGDUAULFGPMW-IAGOWNOFSA-N 451.564 2.578 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1587651232 KWELGHUWYKWWCO-CEWLAPEOSA-N 471.627 2.540 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@@H]2C(C)C)c1 1587692214 AFTATZLTEAHJHB-NHCICSSKSA-N 478.597 2.737 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cscc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588055798 ZQYHDSKDJXYVIS-UKRRQHHQSA-N 474.530 2.537 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CCOC 1588139119 MDBOULFWCBUYOI-LJQANCHMSA-N 459.591 2.722 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1588458641 IDQIGONPRLOFHZ-KRWDZBQOSA-N 465.620 2.777 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCNC(=O)C(C)C)CC1 1588742120 NRZBKUHERLRUQF-OAQYLSRUSA-N 452.603 2.562 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1588812014 OYFJSTGNTNNKMI-LJQANCHMSA-N 453.587 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)CN(C)C)CC1 1588913744 QCRYXKFYWXLPKY-UHFFFAOYSA-N 475.641 2.990 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1589658078 RRTJRZNXUJRVMA-FPOVZHCZSA-N 461.632 2.894 30 10 JFEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594798048 NLUCVHBFWRKCGS-KRWDZBQOSA-N 496.381 2.781 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1594942958 IFCOYKWVPQMDTI-UHFFFAOYSA-N 478.645 2.884 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1595501523 XATMLLJIZIJSDC-UHFFFAOYSA-N 464.526 2.608 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1 1595551961 YTGGUKSCTGHPIL-SFHVURJKSA-N 462.595 2.659 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCCCC2)C1 1595593723 HPVIYIXTNBBIIZ-UHFFFAOYSA-N 455.559 2.707 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595664463 DYNFQIUNBADCOQ-VWLOTQADSA-N 469.586 2.600 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1595713502 AGUMUGVHKTXFQG-IRXDYDNUSA-N 451.449 2.957 30 10 JFEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595900809 JSNWIBJMAMTJDR-XLIONFOSSA-N 457.600 2.747 30 10 JFEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N 1618514501 HZQACLIWEHXWBB-SJORKVTESA-N 461.611 2.903 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 1629686094 CNSVMERBQADSRW-GOTSBHOMSA-N 457.596 2.560 30 10 JFEE CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1630030421 HEVZACPZKYOETQ-UHFFFAOYSA-N 454.490 2.666 30 10 JFEE C=CCn1c(SCC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 1638578115 TWTTVJSJKBKCGQ-AWEZNQCLSA-N 455.005 2.770 30 10 JFEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Br)cc(Br)c2)C1=O 1661659081 IARMBLXWYDFNKX-ZDUSSCGKSA-N 452.168 2.619 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C 1671169123 FIFRIGFHONCKFT-UHFFFAOYSA-N 451.527 2.951 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N(CCc2ccccn2)Cc2ccncc2)[C@H](C#N)C1 1671494736 DVEGFCTUGHBZPP-TZIWHRDSSA-N 450.543 2.990 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(C)C)c1 1689871998 KYJWOJXWTINAPM-LJQANCHMSA-N 471.627 2.919 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1690026761 KZERBZXTCYAXHQ-HXUWFJFHSA-N 455.006 2.609 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1c(C)noc1C 1690061094 QXFDAZYUFYDOOW-UHFFFAOYSA-N 455.588 2.854 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1690100962 JOIDJFMCYXBCKG-AFMDSPMNSA-N 478.597 2.873 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@H](OC)C(C)(C)C)CC1 1690122288 MOEPYDFWJLUMQW-JOCHJYFZSA-N 491.640 2.881 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(SC)CCOCC2)CC1 1690133289 AIVORVCQIBXJRL-UHFFFAOYSA-N 471.627 2.533 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCCCC)CC1 1690142374 MQQLZMHRKHGCOV-UHFFFAOYSA-N 461.570 2.861 30 10 JFEE C#CCSCCn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1C(C)(C)C 1690186191 LZJGNCDCZPJPFN-UHFFFAOYSA-N 461.657 2.761 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1690190266 PWOOMOJAKDOCJD-QMHWCDLVSA-N 462.664 2.678 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690218276 AVLHOQYNCKVMCW-UHFFFAOYSA-N 492.378 2.891 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)N2CCCCC2)C1 1690684722 MHAYZZWZWGWSTE-WOJBJXKFSA-N 453.591 2.971 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCS(=O)(=O)C2)C1 1690691547 GGTIKEWEAXFKDC-HZPDHXFCSA-N 481.416 2.924 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1690715228 GNJPVPVVFYTCBT-OALUTQOASA-N 477.606 2.833 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690715242 GWDNQJZUOYINQB-IEGUWTFLSA-N 494.589 2.542 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC(F)(F)C(F)F 1705492704 VOIURGUYVRDSTK-HNNXBMFYSA-N 469.487 2.827 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)c1 1705507372 ZDQUPBBTRGVHLP-IBGZPJMESA-N 469.611 2.817 30 10 JFEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705537596 KXJGHXCRFNXVSI-QFIPXVFZSA-N 484.620 2.641 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnn(C)c1 1705599234 WOMCDFPWFFFQPW-UHFFFAOYSA-N 451.575 2.637 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705662504 ANVZNDVDZLNQDO-UHFFFAOYSA-N 455.609 2.670 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705692639 OTJQMFKXVHFRPV-OAHLLOKOSA-N 464.368 2.554 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1705710341 LHDDJMOPCINRSE-ROUUACIJSA-N 484.667 2.938 30 10 JFEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(Br)ccc1F 1705724698 IHEJWAQXTVZDDM-INIZCTEOSA-N 452.328 2.706 30 10 JFEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705762674 FTIGAMJYKZJOLQ-KRWDZBQOSA-N 490.561 2.821 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705811155 SUOBJWFXFWLWSC-PKOBYXMFSA-N 456.978 2.885 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)C(C)C 1705867496 OUPQSFSLGUQLEA-VVZHRXSXSA-N 486.661 2.597 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705905467 WEJLBNODAPXDET-UHFFFAOYSA-N 468.577 2.682 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1705928101 BHXBDUVBAFKULM-MOPGFXCFSA-N 467.540 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705933993 YDROBHCRMMFVBR-SFHVURJKSA-N 473.643 2.935 30 10 JFEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C 1710273236 FNDDFZKPXVEABX-FXAWDEMLSA-N 477.535 2.610 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(C#N)CC2)CC1 1710292538 DXBPHRLFBZFXLQ-HXUWFJFHSA-N 451.619 2.967 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)N(C)c1ccccc1 1710734562 HJGHURWHRWIXEB-VQTJNVASSA-N 475.601 2.716 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(=O)NCC)cc1 1722279348 OOMCVUOPUKURAB-KRWDZBQOSA-N 493.637 2.803 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCC[C@H]2C)c1 1722305500 RITKJPNTTBEPBI-UIFDUCBYSA-N 495.624 2.926 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCCOC(C)C)c1 1722309306 MKHGHDJVFQHVOD-UHFFFAOYSA-N 478.553 2.877 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)c2nccs2)c1 1722310590 XCTYIYLBSWFNER-INIZCTEOSA-N 460.567 2.995 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1722367520 WLBNDZPMJIWXBD-AZUAARDMSA-N 458.632 2.708 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccsc1 1722384405 QIBSVPKZNXRBDN-CYFREDJKSA-N 485.610 2.629 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722406169 VULHZDREYVFCAG-QGZVFWFLSA-N 452.437 2.576 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNC(=O)c2cccs2)CC1 1722442332 RWACOEUPYJJSSY-UHFFFAOYSA-N 478.622 2.721 30 10 JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1722455276 LJILCQFFPCOQCQ-OYRHEFFESA-N 455.676 2.645 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722527706 RITBFTQSDKYGRK-DEOSSOPVSA-N 452.559 2.599 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722535840 HGZKKAJIJNDOHW-YADHBBJMSA-N 453.543 2.706 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1722697570 MHKJAWUCXFNCNM-LJQANCHMSA-N 458.925 2.956 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCc2cccc(Br)c2C1 1722697775 OZUFVYZXBQWFQP-UHFFFAOYSA-N 453.344 2.968 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722724138 OKTBMIBNHXPINB-MDZRGWNJSA-N 469.007 2.879 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722731762 RDGGJXDFBITWOW-KDURUIRLSA-N 492.646 2.780 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722734828 KEPNFIBMRXHOTL-GOSISDBHSA-N 485.570 2.539 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1722743033 NYKQUPPMYBDUJR-UHFFFAOYSA-N 456.572 2.926 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2CC(=O)NCC(F)(F)F)cc1C 1724385345 GYLAZPGJKVQTBN-UHFFFAOYSA-N 477.491 2.956 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(N(C)C)CCSC2)c1 1740564521 PSAUALYVMGALPA-DEOSSOPVSA-N 454.644 2.970 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740629032 YZPPGRXPENJDFF-UYAOXDASSA-N 479.002 2.706 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCOC[C@@H]2C)CC1 1740691247 XVBNSRHOIWLLRA-PMACEKPBSA-N 473.021 2.547 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC(C)C)CC1 1740694220 CKGPGIHXOZBNQY-FQEVSTJZSA-N 460.623 2.573 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2csc(C)n2)CC1 1740697601 LJPCEHUNQRESIA-UHFFFAOYSA-N 452.584 2.725 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740709543 OSNICCONTHGZCB-ZWKOTPCHSA-N 457.600 2.850 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740713068 DIFNTVVZJRLEGX-TZIWHRDSSA-N 485.654 2.876 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1740716303 PKNYRWLFXJPDNU-ROUUACIJSA-N 490.427 2.936 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NCC 1740726789 OFFGVCMCMNVCJF-HSZRJFAPSA-N 457.600 2.503 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1740782450 DKOOZOAXVPLLFW-IBGZPJMESA-N 489.621 2.547 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740820733 PAULDDZDDJHLDF-GOSISDBHSA-N 475.615 2.790 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1740822735 OJZRUADMNYLVRS-SFHVURJKSA-N 495.024 2.788 30 10 JFEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(=O)COC)CC1 1740848656 NXNUMHIGSOBLBO-UHFFFAOYSA-N 496.660 2.786 30 10 JFEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740860654 LFTNNKCQESSNMK-SFHVURJKSA-N 461.588 2.591 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CC(N)=O)C1 1740861292 IKGOUJZQLLAGFZ-QGZVFWFLSA-N 459.620 2.686 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1740918086 KHPHFKBURFQNEM-OAQYLSRUSA-N 474.627 2.816 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740950406 MHIWKGFQEWLHBH-GAJHUEQPSA-N 463.579 2.547 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cc(Cl)cn1 1748680873 XTSJRLHHLAIQMK-HXUWFJFHSA-N 467.021 2.651 30 10 JFEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1748706969 WSUGUQXERLUUOU-HXUWFJFHSA-N 461.574 2.609 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748805439 RVQFLRKNKFUCPF-LEWJYISDSA-N 486.638 2.967 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748808850 HBUMLCZCQWBBCO-LAUBAEHRSA-N 490.626 2.650 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748820503 CSFHOHOHPKIYAP-OAHLLOKOSA-N 450.552 2.891 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1748820545 DKQCTMOSWLKPDP-LJQANCHMSA-N 487.592 2.522 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748821777 VIOXWJSTBJBHGQ-DVECYGJZSA-N 469.611 2.528 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748824144 JUDZLCALWVEGFF-LJQANCHMSA-N 458.584 2.683 30 10 JFEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNc2nccc(C(F)(F)F)n2)c1 1748933495 HEIKYLJIAAYGJG-INIZCTEOSA-N 474.447 2.603 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCCc1cnn(C)n1 1748952946 ANHCMYDRRTYRHY-UHFFFAOYSA-N 464.393 2.616 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCc2nccn2C1 1748956945 PAHBCIYNTLECER-GOSISDBHSA-N 450.543 2.507 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CC1 1749003389 HWTRJGMPJRPXSH-UHFFFAOYSA-N 459.579 2.904 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CC1 1749005908 ASFVQBTYBYDNBN-NRFANRHFSA-N 471.989 2.760 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCCN2CC)CC1 1749006038 GNAYQSOHRSBODK-OAQYLSRUSA-N 494.640 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC=C)c2ccccc2)CC1 1749015309 CJJRFHBPVLGVLM-QHCPKHFHSA-N 474.609 2.726 30 10 JFEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1749039415 TWECBDAVAFICOE-NRFANRHFSA-N 469.611 2.997 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCc2ccccc2F)CC1 1749039520 VYQSMTLJFIOFGU-LJQANCHMSA-N 492.642 2.871 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(CC)C(=O)C1 1749135581 GFVODRBORDKLFZ-CYFREDJKSA-N 469.586 2.906 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@@]1(OC(C)C)CCOC1 1749140640 RRVMCAFVHFEILG-ZCVJKFOLSA-N 458.607 2.978 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\CC 1749546760 DPHIMKBRWXDFCL-QKWWCAPFSA-N 463.579 2.909 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CC1CCS(=O)(=O)CC1 1749547878 YXDWUVSIOHCCKJ-UHFFFAOYSA-N 458.563 2.835 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749650675 FDZYGMIRTFOFDU-LZDTVADOSA-N 473.549 2.632 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1 1749651357 TWXYGYDSLVHJFO-HNNXBMFYSA-N 466.920 2.645 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(Oc2ncccc2F)CC1 1749676333 MPGHLLBTBWWBMV-UHFFFAOYSA-N 480.544 2.762 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1749689312 HCJNTWJJHQIDDP-DFBJGRDBSA-N 469.586 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(CC)C1 1749725795 UXEZTNCHZUAHHA-SFHVURJKSA-N 472.409 2.642 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1749739467 CASNEGKQVBLYAI-OAQYLSRUSA-N 466.991 2.728 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749745615 BJQKZZIYKJYSFA-UHFFFAOYSA-N 498.696 2.671 30 10 JFEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1752061481 DAGJTFVWLTZXQP-MSOLQXFVSA-N 452.559 2.636 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1760096114 GBNFJDXYHABYBK-ZWKOTPCHSA-N 459.554 2.960 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC(F)(F)F)c1 1760126455 ZHLPDUPSIHSOLY-HXUWFJFHSA-N 451.449 2.549 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760149843 GMLVFQOSYNTDTO-GOSISDBHSA-N 472.553 2.752 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760180907 MUTUBEDQGZTVEQ-NHCUHLMSSA-N 456.612 2.752 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1csc(CCc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1760185725 CAPIIHDQMZFILJ-HXUWFJFHSA-N 469.636 2.757 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188583 BYEHHHHICNBIBS-NHCUHLMSSA-N 470.620 2.945 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC)c1OC(F)F 1760217790 MSWQCSUCQVMZHP-KRWDZBQOSA-N 457.481 2.741 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)COCCO1 1760239955 BVUFCVFEBPKPGS-RPBOFIJWSA-N 472.561 2.903 30 10 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C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690720691 QGTUSETUHMHDPZ-IBGZPJMESA-N 475.615 2.992 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1691463327 FKIHFMHOVUMPKW-OAQYLSRUSA-N 498.653 2.630 30 10 JFEE CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1695468578 DUYOYVDFRINPSO-QFIPXVFZSA-N 464.574 2.776 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCC 1705572426 AVSPYMLLLGDHFW-NRFANRHFSA-N 452.990 2.809 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCN1CCOC1=O 1705575678 SQOCIPRATICJQZ-UHFFFAOYSA-N 460.307 2.762 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCO[C@@H](C)C1 1705597286 AMHLXHVCUQGIAT-XUZZJYLKSA-N 463.582 2.754 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1705623912 JELGGNNAVPWFSI-JOCHJYFZSA-N 481.000 2.981 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705635469 ZLIQPMXLUYRDFB-JWQCQUIFSA-N 464.658 2.932 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCOC(C)(C)C)CC1 1705646734 OTQXOZJHCQWYAH-UHFFFAOYSA-N 469.586 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)c(Cl)c2)CC1 1705650839 ABVKXJSNQDUWRW-UHFFFAOYSA-N 483.979 2.946 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1705666323 BMAGCFTVTFCEMU-MHECFPHRSA-N 471.005 2.574 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1705667880 XMQFROUKNALZKQ-OAQYLSRUSA-N 459.591 2.966 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705703232 SAWMNOWVGMBFAA-AUSIDOKSSA-N 491.633 2.897 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705814136 DTFXOQSTVPYFLT-JOCHJYFZSA-N 453.503 2.634 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)nn2C)C1 1705917216 RUKQOQBONLNXRW-LJQANCHMSA-N 468.558 2.842 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 1705924015 SCUDLACIGFDUIZ-GOSISDBHSA-N 458.607 2.903 30 10 JFEE 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493.534 2.703 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 1727222112 AMXAKATWMRQWRC-VQTJNVASSA-N 494.644 2.995 30 10 JFEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)NC(=O)OC(C)(C)C 1727245208 GGNUHBJGTKVNMY-QFBILLFUSA-N 490.630 2.989 30 10 JFEE COc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1730135250 DZLMKCZDESUFLD-HSZRJFAPSA-N 484.557 2.971 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1740557983 BOZHDXFJSGVPJF-AQNXPRMDSA-N 460.623 2.655 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccn(CC)c1=O 1740677846 SSNBKFJUXZPIBC-AREMUKBSSA-N 479.556 2.939 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C)c(C)s1 1740677868 TXOVBJKZTDZSLM-OAHLLOKOSA-N 476.603 2.789 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1740732255 WXFLMUNVHBYCCY-WZONZLPQSA-N 459.591 2.884 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1)c1ccccc1 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AZORUFWUNIUMQR-GOTSBHOMSA-N 471.671 2.780 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1690044984 CUJDTAMZHIKAJC-YADHBBJMSA-N 484.645 2.576 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(COC)CCOCC2)CC1 1690112360 WDGDBSYBCYLAHW-HXUWFJFHSA-N 471.577 2.756 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1690128529 FEABHBXZMHTJEF-OAQYLSRUSA-N 471.609 2.596 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1690171001 UHXUJYSPXHRZTD-FPOVZHCZSA-N 495.653 2.942 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690627742 WZMYCABLDYDYIZ-UHFFFAOYSA-N 471.993 2.775 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1690681740 ZFFSQZPAXAUCBG-URVUXULASA-N 469.586 2.578 30 10 JFEE Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)N2CCOCC2)cc1 1693029176 GJNHXVZLTJMDNI-QFIPXVFZSA-N 465.602 2.538 30 10 JFEE CCNC(=O)C(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 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C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705600073 KYKRXEJWUHNAGF-VABKMULXSA-N 490.608 2.751 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1705601168 AECMTBAWMJSWSP-UHFFFAOYSA-N 458.566 2.840 30 10 JFEE C=C(Br)Cn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692719 QTADYEQCXYXBIH-NRFANRHFSA-N 482.423 2.676 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1705747786 VLUQCWZNZCXVFU-VQIMIIECSA-N 463.007 2.972 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCC1(O)CCOCC1 1705864425 BLNLJXJBXGEPCT-UHFFFAOYSA-N 457.550 2.664 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC1(C(N)=O)CCOCC1 1705868544 RNSTZVILXQJEFA-UHFFFAOYSA-N 452.584 2.800 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1705875890 JCEXGEVGMUJZAL-OAQYLSRUSA-N 498.609 2.801 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705888428 XKJDJMSKPRTWCY-UHFFFAOYSA-N 486.642 2.610 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(N)=O)c1 1706746661 CWYXEEYPCQHPEI-SFHVURJKSA-N 473.585 2.532 30 10 JFEE CC[C@@H](C)N(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1708597209 GIDRAEXMXROWNO-DENIHFKCSA-N 465.602 2.694 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1722308129 GMICKALDDXZXIK-KRWDZBQOSA-N 498.613 2.521 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccsc2)c1 1722309237 LWRXQSCVMCCPRA-DEOSSOPVSA-N 475.578 2.704 30 10 JFEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722316385 BWIOCCSZLGHSCJ-JOCHJYFZSA-N 452.578 2.554 30 10 JFEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1722338457 PYFMVEQXXQZRBB-HXUWFJFHSA-N 465.606 2.943 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCCCO2 1722354954 NBUNRDCNJLPLBC-IBGZPJMESA-N 483.569 2.866 30 10 JFEE C#CCN(c1nnc([C@@H](C)OCCOC)n1[C@H]1C[C@H](c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1722364521 LIJRKSKJSCPLLX-JHMKDJTOSA-N 490.601 2.887 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722368643 SJTYOQQEZCHXOH-YLJYHZDGSA-N 477.581 2.753 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCOC[C@@H]1OC 1722395205 UWBUKSMGAKNMMO-APWZRJJASA-N 460.376 2.561 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722445650 UZGGNRXWMXBETB-JOCHJYFZSA-N 473.625 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOc2ccc(OC)cc2)CC1 1722448536 VSOACMPTZGDQNL-QHCPKHFHSA-N 481.597 2.963 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)C1 1722491591 BFROWKDYCSGJIW-ACJLOTCBSA-N 464.339 2.764 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1722517343 JTWWJTVFISMIKM-HXUWFJFHSA-N 477.606 2.884 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1722528335 ZBDQTNUTQVKXQY-SFHVURJKSA-N 475.615 2.708 30 10 JFEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cc(CO)nn1)C1CC1 1722653516 GCAZYQKCOSIWEI-IBGZPJMESA-N 472.594 2.679 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)C(C)C 1722662422 JZDHMNASKJWFQZ-VRUMLPLGSA-N 486.661 2.597 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1722663942 LUPJGGKMMLTJBU-LJQANCHMSA-N 471.608 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722724428 WRRJZTZLRMEUFM-JTSKRJEESA-N 481.018 2.974 30 10 JFEE Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)c(=O)n1C 1724363626 DVQMOPGLXNRZDR-UHFFFAOYSA-N 463.561 2.869 30 10 JFEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1726984265 GKYQLTLPYZDCNH-PZJWPPBQSA-N 485.658 2.804 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)CCN1CCOC 1727834379 GJSQZCTZIVUBLN-RQNQAMLKSA-N 482.629 2.827 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@]2(C)COCCO2)c1 1740564218 FHWHZKHRNGFTNV-DEOSSOPVSA-N 465.579 2.792 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)Nc1c(C)cccc1C 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2284059818 IRYADXIHPQAGHF-UHFFFAOYSA-N 480.436 2.734 30 10 JFEE C[C@@H]1OC2(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)CC1(NC(=O)OC(C)(C)C)C2 2284067273 IYGMGOBMARPCLI-WVSTVCSASA-N 459.352 2.534 30 10 JFEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C 2284131995 AQKBBOBNIFZDFE-WMZOPIPTSA-N 480.436 2.766 30 10 JFEE COc1ccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 2297747591 JEZPRTNRXGRIOT-HSZRJFAPSA-N 466.534 2.766 30 10 JFEE C=CC1(N[C@]2(C(=O)O)CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CN(C(=O)OC(C)(C)C)C1 2325155820 SYUOIJLWJMUINY-QFIPXVFZSA-N 469.604 2.701 30 10 JFEE COc1cccc(C=Nn2c(CCCOc3ccccc3C)nnc2SCC(N)=O)c1O 2327082463 IYTTYTPYLVRGPO-UHFFFAOYSA-N 455.540 2.772 30 10 JFEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(Br)cc2)CC1=O 2327828279 OSTHMXLAWDLLFR-CYBMUJFWSA-N 479.404 2.615 30 10 JFEE Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2328553934 UBLQOSPLCMQMRU-UHFFFAOYSA-N 456.484 2.547 30 10 JFEE COC(=O)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(C(=O)O)cc1 2328652102 UNPJDDCNUBBAGN-UHFFFAOYSA-N 454.508 2.917 30 10 JFEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H](C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CO2 2342988598 ZFNSUXSBJAOKBD-YCFYUYSTSA-N 454.571 2.543 30 10 JFEE Cc1scc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2343501435 CENCWUACJXAQGK-IBGZPJMESA-N 455.433 2.560 30 10 JFEE C=C(CS(=O)(=O)Nc1n[nH]cc1C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2352332654 ZDLXJULLYNGXTD-UHFFFAOYSA-N 468.385 2.673 30 10 JFEE Nc1cc(N)n(/N=C/c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c(=S)n1 59500625 XAXNKBRKGVYRJT-AFUMVMLFSA-N 464.555 2.890 30 10 JFEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1-c1ccc(Cl)cc1 59795006 NBMRPWYSERUFFG-UHFFFAOYSA-N 473.990 2.912 30 10 JFEE Cc1c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)cnn1-c1ccccc1 102495933 UWSVNRJKYPGBPX-MYXKAAJQSA-N 487.560 2.720 30 10 JFEE CO/N=[N+](\[O-])CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 103936620 DOILYOPXJISFIE-SXQBCHRJSA-N 475.571 2.505 30 10 JFEE C=CCN1C(=O)N[C@@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@@H](C)C1 169679687 IVVABRFKSPXNQN-UWJYYQICSA-N 489.642 2.942 30 10 JFEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccccn2)c1 170353424 RDNICDJLKYGAIP-FQEVSTJZSA-N 465.487 2.521 30 10 JFEE CCOc1cc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(C)C2=O)ccc1OCC(N)=O 254482692 XFBGXOLNZSHTHY-ZGKGBVRBSA-N 469.519 2.970 30 10 JFEE COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(F)cc2)cc1OC 254612885 OCXMIXIUTPMHSZ-QFBILLFUSA-N 464.540 2.754 30 10 JFEE COc1ccc2c(c1)sc(=NC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1)n2C 254736036 DWZVDEGCQRDDSG-UHFFFAOYSA-N 483.575 2.808 30 10 JFEE O=C(NCc1ccc2c(c1)OCO2)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673323 ARCYXLQKKLFBMT-BLNDDSHWSA-N 484.468 2.680 30 10 JFEE COc1cccc([C@@H](C#N)NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c1OC 729429353 KCVXTCKZLDWKQQ-MRXNPFEDSA-N 472.295 2.833 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(ncn3CCc3ccccc3)C2)s1 929069961 OKEODXKGKYSRKU-UHFFFAOYSA-N 470.620 2.779 30 10 JFEE COc1cccc(C=NNc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)c1 1084501976 JUJWMWYERQQMMW-UHFFFAOYSA-N 456.528 2.685 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c1 1141009460 IPQVDHZOWRJIEV-QGZVFWFLSA-N 451.317 2.917 30 10 JFEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)c4cccc(C#N)c4)CC[C@@H]32)CC1 1142202391 DUQFFAFURNPQLN-UXHICEINSA-N 453.543 2.566 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)c1 1152908978 IXOUZBBPRZIVJF-AWEZNQCLSA-N 451.342 2.647 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1cnn(C)c1 1171843298 GVEBFISMYCTAAU-HXUWFJFHSA-N 456.522 2.688 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1nc(C(C)(C)C)cs1)C2 1224762152 KTAPAYISKHLFST-HOTGVXAUSA-N 455.646 2.651 30 10 JFEE COC(=O)c1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc(S(C)(=O)=O)c1 1266210581 DANPXCNQGXXWHC-UHFFFAOYSA-N 459.499 2.743 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1286382362 IXXXRYJKHZSMCP-HXUWFJFHSA-N 480.619 2.760 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286393036 DHNBYKVRSDFOKW-RTWAWAEBSA-N 487.670 2.866 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286466653 LLUOVSIBCKAURV-UHFFFAOYSA-N 457.550 2.961 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286467664 SEUQNFJXXVEEEG-ULQDDVLXSA-N 462.538 2.635 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1286515885 QXLGUQDDLSMKHQ-HXUWFJFHSA-N 493.427 2.639 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCSC1 1286517058 CHQFOXHARSONTL-DHIUTWEWSA-N 473.668 2.778 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1286517562 SKBZATZBKHMBRY-JLTOFOAXSA-N 453.515 2.530 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286567651 WBEOQHDYXIWTHD-VIZSFHNOSA-N 453.587 2.843 30 10 JFEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1286626853 LPPPAGNKOOZNSR-GOSISDBHSA-N 496.081 2.928 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286670329 GPDZSNQZDMEFSS-UGKGYDQZSA-N 468.650 2.660 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCN(CC)CC1 1286727319 PHHJBAYYHHKGLY-NRFANRHFSA-N 491.681 2.626 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NCCC)C1 1286802951 FFQZAYQUWIZEMB-MRXNPFEDSA-N 465.396 2.744 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286816456 JGSRSUKWBOECMC-PBHICJAKSA-N 474.505 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286817902 ZIWDTRPOOVZKKI-LJQANCHMSA-N 454.600 2.972 30 10 JFEE C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286830824 VKHJSZNOSXAMAO-DENIHFKCSA-N 469.659 2.638 30 10 JFEE Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 1290665858 APAIPLWAPCQHLS-FQEVSTJZSA-N 462.606 2.757 30 10 JFEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)N1CCCC1 1292195348 HLZDIQJKVROYFC-GMAHTHKFSA-N 499.685 2.799 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2c(C)nn(C)c2C)c1 1300334526 OHOPDOWPBIMSMB-HXUWFJFHSA-N 461.570 2.627 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300489538 OMURCXZPZGLDFM-NFBKMPQASA-N 480.638 2.565 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300502457 UYQCSKKAFXJMRN-LJQANCHMSA-N 459.591 2.523 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300502503 VTJYGJFIJQXBHU-QNWVGRARSA-N 485.654 2.732 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300504248 KUINRXPPKLXTQH-QFIPXVFZSA-N 486.638 2.917 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300504707 QVUGQHFUPFYHRZ-QHCPKHFHSA-N 480.638 2.789 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCOCC1(C)C 1300569632 PHPMNTFCQXAJLE-UHFFFAOYSA-N 451.571 2.536 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1300683385 NNDMEBUGKUQQDV-INIZCTEOSA-N 469.483 2.964 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCC(C)CC2)CC1 1300710071 QWUFVVWYJBWBRW-UHFFFAOYSA-N 454.594 2.873 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1300788805 MSNWHVJOHPBNGO-UQBPGWFLSA-N 467.570 2.878 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1300861304 FWMJWCZQQIPMNR-UHFFFAOYSA-N 486.374 2.891 30 10 JFEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300944649 AAMOJXGMULMXJU-UHFFFAOYSA-N 454.575 2.630 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1301519204 SAWNWMIRRLCXLL-JOCHJYFZSA-N 462.554 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1301589493 TXSCQFSBLTUMTP-APWZRJJASA-N 484.981 2.753 30 10 JFEE CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1F 1305845351 CDUZLZQPQMZPRE-RBUKOAKNSA-N 453.522 2.865 30 10 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2.815 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722740044 ZZSGKJDRJARJQY-APWZRJJASA-N 484.594 2.956 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)ccc1OC(C)C 1729971904 AHQSFUORLLIKSE-VXKWHMMOSA-N 498.628 2.826 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2([S@](C)=O)CCC2)c1 1740563426 YNHWPNFEBHEQBH-XIFFEERXSA-N 462.579 2.698 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1740567452 RFDXRRBNXNMDIS-PCCBWWKXSA-N 464.680 2.783 30 10 JFEE C#CCCCn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1740596339 BOXXTPTUZCZXDI-JOCHJYFZSA-N 460.966 2.835 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1740621731 OMZSCULDPDIOFV-KRWDZBQOSA-N 463.485 2.967 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1740621789 PFGIKEGMCVTHOH-JLAWEPINSA-N 460.575 2.916 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1740622494 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(C)noc1C 1740678000 XASNMMHLKPAYCM-MRXNPFEDSA-N 474.562 2.515 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ncc(CC)s2)CC1 1740693305 XXMNEUMPJFUSOD-UHFFFAOYSA-N 466.611 2.979 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(F)cccc1Cl 1740718070 HKJVISZSEBWOLH-CQSZACIVSA-N 456.996 2.976 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740746361 JARYVGWHIUTKQG-UHFFFAOYSA-N 480.436 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1740761062 LXMMSPHZCZBLMM-RBAQFSTRSA-N 475.615 2.608 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1740764867 KOFUFKQXFYKKIQ-LDVJMBRRSA-N 483.613 2.979 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1740772409 LWKFQNLYZYWESV-XMMPIXPASA-N 452.559 2.619 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1740854305 FJEGRJOATWVPKD-MDNUFGMLSA-N 485.654 2.893 30 10 JFEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNC(C)=O)CC1 1740876637 VWTKCKVEKLBDTD-UHFFFAOYSA-N 452.607 2.771 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740889584 PRBRDIBVECAZGT-IBGZPJMESA-N 484.420 2.643 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C#N)C1 1740951740 MHRVTLHUWODHTJ-FUHWJXTLSA-N 458.950 2.719 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 1740969782 BDOODBKCVBABMC-NHCUHLMSSA-N 456.566 2.737 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1741000679 UVYSMZIXCXIXMF-UHFFFAOYSA-N 454.600 2.803 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1sc(C)nc1C 1748650245 ZEQCXDREUUMPTI-CQSZACIVSA-N 458.613 2.775 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1748671910 OBVPOSOFCRFDHY-YLJYHZDGSA-N 469.611 2.815 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1748734515 FRKMRXWYDNWERP-UHFFFAOYSA-N 479.585 2.838 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748808238 IOQFUNZYLXHXOS-REWPJTCUSA-N 489.598 2.667 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748819918 URVATRWTENPODL-FQEVSTJZSA-N 491.683 2.857 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1748820544 DKQCTMOSWLKPDP-IBGZPJMESA-N 487.592 2.522 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1748824253 MMYHMQSOQHTCRT-SFHVURJKSA-N 490.651 2.778 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)N1CCC(OC)CC1 1748829088 TTXKAVKJCRDWAQ-UHFFFAOYSA-N 473.419 2.998 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748859023 PYQVGEMWYLCSCV-COPRSSIGSA-N 484.645 2.621 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C1CCCCC1 1748951184 UWHHKJGYSRYQML-DEOSSOPVSA-N 474.627 2.766 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1748972043 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COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(N(C)C)cc2)cc1OC 254572646 JTBUGDAPKJJPFE-YLJYHZDGSA-N 475.592 2.685 30 10 JFEE O=C(O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(O)cc1O 254594910 ZJUAFYMBVMCNIE-UHFFFAOYSA-N 472.435 2.951 30 10 JFEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)CCC2 513055707 BPGLDQUOTDXBSD-UHFFFAOYSA-N 455.583 2.950 30 10 JFEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccccc1 518705038 CKUHQEFHVNFELC-UHFFFAOYSA-N 475.614 2.621 30 10 JFEE Cc1ccc(Cc2nnc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)s2)cc1 521260863 JORXOEDBCUHHTM-UHFFFAOYSA-N 482.591 2.847 30 10 JFEE COc1ccc(NC(=O)[C@@H](C)[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 586341119 AQVRPEAXUWMYIC-MDQXEJNYSA-N 461.565 2.840 30 10 JFEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2C2CCN(C)CC2)c1C 729668659 BOTGUYRFHGOOJG-UHFFFAOYSA-N 497.624 2.827 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)OCC3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2C1=O 749357295 GNAAGSVXWOMMRI-UHFFFAOYSA-N 450.451 2.845 30 10 JFEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(C(=O)O)CCOC1 757215044 YUMVLPNHCRGHCM-ATIYNZHBSA-N 462.502 2.667 30 10 JFEE O=C(O)C#CCNC(=O)[C@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCOC1 757474481 JGYOZYKXDAWBMF-SANMLTNESA-N 462.502 2.526 30 10 JFEE CC#CCN(Cc1ccccn1)CC1CCN(C(=O)NC2CCN(C(=O)OCC)CC2)CC1 1088703237 OBWBATAXRFTBEF-UHFFFAOYSA-N 455.603 2.949 30 10 JFEE C[C@H](C#N)Oc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1127456316 BNZDXEGCFAHYHZ-CYBMUJFWSA-N 452.330 2.999 30 10 JFEE C#CCn1ccc(CN(CCOC)c2ncnc(CC(C)C)c2I)n1 1163204832 DHGCQDPGSBWODB-UHFFFAOYSA-N 453.328 2.762 30 10 JFEE C#CCN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)Cc1ccccc1 1194165485 SYGWVGNIXATXQJ-UHFFFAOYSA-N 451.592 2.886 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286362729 FAUXXSKFQBAZMR-KSYXXAMZSA-N 473.618 2.891 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1286385922 RERLDAVGGWBRMM-FQEVSTJZSA-N 471.627 2.989 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1286387925 WRSWCUYEOLJYEM-HXUWFJFHSA-N 480.594 2.687 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286391978 KLIAMZXHKAGKGJ-BJKOFHAPSA-N 483.682 2.955 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286392264 LEYYQNPUQLNGNX-SQJMNOBHSA-N 482.606 2.581 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC1(CS(C)(=O)=O)CC1 1286456811 WYNPPUNBLIEWPK-IBGZPJMESA-N 460.575 2.776 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286474433 JUNCFOXAMRBJTO-CTNGQTDRSA-N 453.587 2.659 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1286474913 NHTRRKVMGPHPFN-KRWDZBQOSA-N 473.419 2.768 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)CCCO2)CC1 1286488045 KGWPONUGXICQEN-NRFANRHFSA-N 475.391 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)CN2CCCC2)CC1 1286491048 CHSFZMAKDFFBGD-IBGZPJMESA-N 484.595 2.845 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2oc(CC)nc2C)CC1 1286492634 OOOLQWOLJINXNT-UHFFFAOYSA-N 492.580 2.739 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCOCc2ccc(OC)cc2)CC1 1286493583 OATZQXLJURZDBA-HSZRJFAPSA-N 481.597 2.711 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286507590 AYJHHRIOVWBBKZ-UHFFFAOYSA-N 456.616 2.775 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286511388 KISHNNSOTJVDPL-OAQYLSRUSA-N 493.637 2.677 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N(C)C)CC1 1286561670 FXJKSEMEOQEQOA-SKWRMQMOSA-N 475.634 2.678 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1Cl 1286580746 BPTXCWJROQYPAX-KNQAVFIVSA-N 498.049 2.575 30 10 JFEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286676413 ZAKVHRDYVIFJBO-FQEVSTJZSA-N 482.585 2.941 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1286718021 UQRFLIIYVIGTHR-UHFFFAOYSA-N 450.561 2.560 30 10 JFEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1286727513 RXKNMEIFCKOMTB-SJORKVTESA-N 491.511 2.854 30 10 JFEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCSC1 1286753757 HQVOBXVLMIOETD-OAQYLSRUSA-N 462.645 2.593 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286789277 DEGCNBSWOXTIJK-UHFFFAOYSA-N 453.547 2.548 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC=CO2)C1 1286803784 KBPFYBFNGORREV-WOJBJXKFSA-N 473.599 2.669 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)N(C)C)C1 1286810540 SNOBWXQDNJXFPB-NJYVYQBISA-N 490.649 2.708 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1286822942 PPUHUIUXUCYIIM-UHFFFAOYSA-N 486.667 2.837 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC=CO2)c1 1300331851 SCYSOTYDUNGVJM-HXUWFJFHSA-N 471.521 2.674 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCN(C)[C@H](C)CC)c1 1300332393 DKVZGSSVVHFASR-GOSISDBHSA-N 491.596 2.792 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc2c[nH]nc2c1)[C@H]1CCS(=O)(=O)C1 1300496035 NDJWJRXGZQALCN-IBGZPJMESA-N 454.600 2.612 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300497290 YBYZLQFYSRMJPD-WMZHIEFXSA-N 450.649 2.825 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300504502 OABMEEBHLVOTFQ-LEWJYISDSA-N 472.611 2.670 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2ncnn2C(C)(C)C)CC1 1300692839 NJNMNXSRVAHHNF-UHFFFAOYSA-N 483.418 2.858 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300731916 INDKQKSITAPHAP-XXBNENTESA-N 491.514 2.546 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1300884940 NBKKUKBJMAFUPV-NMLBUPMWSA-N 477.606 2.793 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301000747 YDJNLFHLKOFHPH-JOCHJYFZSA-N 482.585 2.525 30 10 JFEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301190391 QWXCBYPCQZFUQY-NRFANRHFSA-N 451.619 2.753 30 10 JFEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1301195431 ZKCHQIRDAKUCBP-SFHVURJKSA-N 455.559 2.828 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 1301223189 OXPHCRZVDYHACJ-QZTJIDSGSA-N 457.666 2.689 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)NC)CC1 1301241948 ZUKYOFHXWVZJNS-UHFFFAOYSA-N 463.380 2.762 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1301341746 VTMMODICOIVILL-NRFANRHFSA-N 482.610 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(OC)C1 1301568723 JJOQMPPZBSYIRN-OAHLLOKOSA-N 454.980 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1301569103 PQDGORVLSOYGEE-QHCPKHFHSA-N 487.670 2.722 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1301576573 FCBNPZHTOOWRJO-GOSISDBHSA-N 466.007 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1301585551 CVCAAJZFMDECCD-NRFANRHFSA-N 454.600 2.739 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCC#N)CC1CC1 1302491811 DJTVXTRJZQNYBY-QFIPXVFZSA-N 459.620 2.775 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1302982266 IBWVHXGXFZEIFU-PXNSSMCTSA-N 486.445 2.701 30 10 JFEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1303086331 DWRQNEAWJGOAKB-JOCHJYFZSA-N 465.602 2.518 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1cccs1 1305780257 AYAWUFPRACCUFN-UHFFFAOYSA-N 495.657 2.741 30 10 JFEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CCCC1 1314151307 CZAVYYOTVGNWEV-UHFFFAOYSA-N 452.559 2.747 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1358879023 JOAOKAYCOXJTJS-LSDHHAIUSA-N 451.390 2.909 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H](C(F)F)N1CCOCC1 1358890112 LDAIOGVWCDHJAE-ABSDTBQOSA-N 461.513 2.605 30 10 JFEE 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C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722689272 QYTHERYCNRMEPW-BGYRXZFFSA-N 477.613 2.649 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722693555 SHPWSUBMDZQWCH-GOEBONIOSA-N 477.382 2.822 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)cc1 1722704972 QWWUWHZKQSVOBD-HXUWFJFHSA-N 477.631 2.706 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(NC(C)=O)c2)C1 1722708874 FHTNELMQTITIFK-HXUWFJFHSA-N 461.526 2.713 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)C1 1722710898 PXQKKUUOASHXAW-OFVILXPXSA-N 456.587 2.987 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722736971 OPSWDYZDOCVSHN-UHFFFAOYSA-N 462.023 2.808 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOCC2)CC1 1722974252 HZJOKUKKHLHBSD-XMMPIXPASA-N 491.612 2.557 30 10 JFEE CC[C@@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1726858932 CBCUOZQPUCEPJS-GCJKJVERSA-N 483.592 2.799 30 10 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459.598 2.659 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)CC1 1740708030 ZNTUQGMMOHKMFP-MSOLQXFVSA-N 451.571 2.713 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1740709892 NMIKUEWDYKZNJS-NHCUHLMSSA-N 458.676 2.971 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740759784 DWERMOQOUWIRRJ-IKGGRYGDSA-N 461.504 2.786 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740781283 ZWTPUBZHPMZCSI-MRXNPFEDSA-N 475.619 2.918 30 10 JFEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1740957959 FSMBMJJTSLZDFZ-UHFFFAOYSA-N 451.575 2.796 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2n[nH]c(C)n2)C1 1740970920 RYTOLFOYXTXKCQ-LJQANCHMSA-N 450.547 2.598 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1740976475 WPXSKYRQRYSQGC-XZOQPEGZSA-N 477.613 2.541 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740995449 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1749175881 SDCMLFYGEBNIGB-UHFFFAOYSA-N 456.572 2.543 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749402030 HXNDKGTZPOYJKM-IBGZPJMESA-N 467.636 2.841 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(NC(C)C)CC1 1749664686 WZAZBPIPYXXUCP-UHFFFAOYSA-N 461.408 2.977 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1749665928 DAWQSMIOZIKUSI-UHFFFAOYSA-N 486.479 2.917 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1749676693 ZQBCDDJTBMUYPC-UHFFFAOYSA-N 479.610 2.791 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1749727154 OFJWDKCWJOGYIG-QGZVFWFLSA-N 464.588 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1749731265 AJDPBTUMLYYBIK-PMACEKPBSA-N 464.563 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1749736559 LBPXPADOZBOEBT-NRFANRHFSA-N 471.558 2.582 30 10 JFEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749751583 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C=CCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 1475119711 RLCNYXJTLGTMCK-NRFANRHFSA-N 450.582 2.693 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1 1478620111 RTVFBWIZODHWTG-UHFFFAOYSA-N 453.580 2.637 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OCC)CCOC1 1502519067 CKLHGXDKOQXIKH-CVDCTZTESA-N 462.595 2.831 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](CC)N1CCCC1 1507522349 VDRWPUCJHRTGPP-UYAOXDASSA-N 458.632 2.528 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630001 XXSQWDGCAOVVCG-MRXNPFEDSA-N 496.008 2.669 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507639138 WCDDLVCYTNKTLV-RBUKOAKNSA-N 490.651 2.636 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1nc(C(F)(F)F)cs1 1507641376 DDTZRXXFIBCUKZ-IBGZPJMESA-N 453.490 2.721 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OC)c1OC 1507653642 PFUDXSIVQSAWBX-FQEVSTJZSA-N 495.580 2.725 30 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30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1507915894 GMBPKBIIDZTMBL-CQSZACIVSA-N 453.531 2.602 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507965689 HLAOXLLXSCUQBD-NJDAHSKKSA-N 495.690 2.794 30 10 JFEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1508021032 TUGCVRUJVXRFPK-UHFFFAOYSA-N 457.582 2.791 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C1 1508126027 QNMNSYWZJKEAPX-SJLPKXTDSA-N 468.526 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508134993 CAQGYRVVESGDNS-IBGZPJMESA-N 473.643 2.923 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1508135435 MIRVGTZAGBFRGT-SUMWQHHRSA-N 484.420 2.640 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508142306 SCUFHAVKLVYLSK-NRFANRHFSA-N 493.674 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](COC)C1 1508142657 AUCMEHXBKUTUJJ-LJQANCHMSA-N 450.580 2.862 30 10 JFEE C=CCSCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1508168468 QYIHZSQOIKPMGL-HXHBTQRASA-N 452.621 2.622 30 10 JFEE Cc1cc([C@](C)(O)Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)c(C)o1 1510550480 FIKIPBMOENURHF-ODCWNRFASA-N 475.553 2.905 30 10 JFEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCOC1(C)C 1512574179 FGXCZWZGHCSJNM-LJQANCHMSA-N 468.602 2.579 30 10 JFEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1512576573 GKLWIHFSGQRPAN-WVFSIPRWSA-N 482.585 2.850 30 10 JFEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1539134221 SIVBRSHSNCBVMJ-IBGZPJMESA-N 474.569 2.971 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(OC(F)F)c1 1539304821 GWARLMUYZDKVLC-UHFFFAOYSA-N 485.516 2.856 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)c2ccccn2)CC1 1539481089 ICWCTBCCCWLGDL-FQEVSTJZSA-N 450.587 2.858 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1539484248 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N#CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CC1 1555991995 CMZXFHMYKFXDPJ-UHFFFAOYSA-N 456.856 2.929 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587661939 JUZRIQNPNJKDFZ-PMACEKPBSA-N 460.586 2.858 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588053799 ICUWGQVEQCNSCE-YFVAEKQCSA-N 460.575 2.742 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1 1588250668 HMOHVNGWTHPPCJ-UHFFFAOYSA-N 458.566 2.983 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1588473068 KRSXLBUMPVMHBL-QHYAIYAISA-N 489.617 2.608 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCN2CCCC[C@H]2C)CC1 1588762315 GPXJMMPJRUVSFV-JOCHJYFZSA-N 498.697 2.758 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1588769838 ZBSAFZXEGCKIPL-FQEVSTJZSA-N 483.573 2.769 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCNC(=O)c2cccs2)CC1 1588877036 SGXBPLOQSOJODZ-UHFFFAOYSA-N 496.662 2.826 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCOC2)CC1 1588907474 CIBMRQQWJMOMMR-LJQANCHMSA-N 481.597 2.743 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1589135423 ZHSLYBZVMJXYGK-ULQDDVLXSA-N 462.538 2.916 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCN1CCCS1(=O)=O 1589252161 ZMENSLAEJPMWML-JOCHJYFZSA-N 475.640 2.607 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1589708097 ALCQZOMNLKVYPA-CXAGYDPISA-N 457.959 2.835 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1593717344 DWDYJNLGDMOOCO-INIZCTEOSA-N 492.374 2.950 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1593914174 DDRNTFXBAJZIHT-CQSZACIVSA-N 475.796 2.995 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CC2)CC1 1594096417 BGYNSFZTTOAVST-IAQAZVPISA-N 465.620 2.654 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1595405280 HDTSHBSDDAWITC-VQTJNVASSA-N 478.638 2.710 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1595639955 PFSFUNNNXJSBJH-UHFFFAOYSA-N 473.624 2.625 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)C1 1595754961 RSMSBEWXHUNDQD-IXFSTUDKSA-N 460.600 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1595797818 IXELSWQTBDMLOK-UHFFFAOYSA-N 473.599 2.605 30 10 JFEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)on1 1613521685 AMSBPLCUFOMMHX-UHFFFAOYSA-N 454.556 2.991 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1614908531 BUWSFBNREJNZFC-DNQXCXABSA-N 493.656 2.916 30 10 JFEE CCN(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccco1 1615365695 AZMPHWTUXMPMQR-NRFANRHFSA-N 497.625 2.574 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)cc1OC 1619210392 CYAYLROQQGSSDA-GHTZIAJQSA-N 454.575 2.811 30 10 JFEE C#C[C@@H](NC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Br)cc1 1630902717 SVOWYJPSMLBLML-DYESRHJHSA-N 455.312 2.677 30 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CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282971722 GTRBADDNMJABHV-HZPDHXFCSA-N 464.343 2.769 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2283945273 YRCOPWSCIBIFDW-ZIAGYGMSSA-N 481.786 2.591 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283960148 VCBMKOHGLLMADK-WNSKOXEYSA-N 478.420 2.690 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283963738 KHIUSVVAYROHCY-HOJAQTOUSA-N 456.392 2.900 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2OCC[C@@H]2CNC(=O)OC(C)(C)C)s1 2283966683 WKXBDWMHKJNOEZ-CRAIPNDOSA-N 480.436 2.902 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](C)N1CC(NC(=O)OC(C)(C)C)C1 2284044469 AFZULJZTKLWNSD-INIZCTEOSA-N 459.396 2.830 30 10 JFEE C[C@H](NC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2284045296 KYUGKGWWPOFDDW-KKXDTOCCSA-N 478.420 2.809 30 10 JFEE 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COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 25159642 PCSBBLAJWYXHPD-UHFFFAOYSA-N 489.561 2.573 30 10 JFEE CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488853192 LPQQSSMNZLKHMG-UHFFFAOYSA-N 451.545 2.516 30 10 JFEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 555004536 JJQUMFMJPAVEFX-SFHVURJKSA-N 450.495 2.815 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N(C)Cc3ccccc3)cc21 586312638 HQMUUZAQCKMFHI-IAQAZVPISA-N 454.548 2.577 30 10 JFEE OCCCSc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1 1084351729 GACDOTDQDLOXDJ-UHFFFAOYSA-N 451.144 2.956 30 10 JFEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 1084595971 FKJJEFQPBARINH-UHFFFAOYSA-N 459.605 2.780 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C)[C@@H](C(C)(C)C)C3)nnc12 1161594351 VHESTOTVZQVHGF-GOSISDBHSA-N 454.600 2.511 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)Cc2cc(C#N)ccc2F)cc1 1207976808 FYDRDVSTWQQSPS-HNNXBMFYSA-N 453.561 2.908 30 10 JFEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286356786 VHFOXIZMTSFMHQ-RTBURBONSA-N 458.607 2.944 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286388583 RUWLMMAXMJMYNN-QFIPXVFZSA-N 467.595 2.650 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286399132 ZGNSQJPZXRUJNO-RTBURBONSA-N 490.651 2.632 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286403674 KXOPQOPUVUVXPB-OAQYLSRUSA-N 491.514 2.688 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)c(COC)c1 1286410175 XLRXRYUMVGLVJX-UHFFFAOYSA-N 480.569 2.645 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccnc1 1286423097 QXJOXTGHXFNPMN-UHFFFAOYSA-N 461.595 2.647 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1286466187 XGEQOFIQCKHDJM-ZEQRLZLVSA-N 467.614 2.897 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1286469938 PAEWIJFYEGIRRB-RBBKRZOGSA-N 485.032 2.678 30 10 JFEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[S@@](=O)C(C)(C)C)CC1 1286477327 XHQKDFSKYXCDGK-JGCGQSQUSA-N 452.628 2.739 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1286486242 DPDQFDOWXMVMFZ-UHFFFAOYSA-N 499.059 2.800 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](CC)N2CCCC2)CC1 1286489439 SINUXKSBUXGUFD-OAQYLSRUSA-N 494.640 2.803 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](OC)C1 1286551280 HCGHINQPULSVNR-VWPQPMDRSA-N 489.642 2.792 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1286562567 APQREDMHZIRSLH-AVRDEDQJSA-N 472.565 2.829 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1286581487 JQICMMUJBUJCTO-FQEVSTJZSA-N 469.615 2.828 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 1286613053 OWPLNBLCHSCMEI-UHFFFAOYSA-N 459.566 2.890 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCS(=O)(=O)NC)CC1 1286640026 CQPSRVASGIKOMI-UHFFFAOYSA-N 458.357 2.552 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nnc(C)s2)CC1 1286654379 HZSOUTRRLXQYGD-UHFFFAOYSA-N 473.628 2.806 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2=CCCOC2)CC1 1286655294 MMJFENHPTPDVJT-UHFFFAOYSA-N 457.600 2.945 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286687855 NKEMXSDGIWYPGV-ZWKOTPCHSA-N 467.636 2.982 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286782646 AXCJKCAHGLFNBZ-INIZCTEOSA-N 479.412 2.713 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286788769 FXANBJSMCUFZDK-UHFFFAOYSA-N 468.577 2.539 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286788993 MHVRTERVBRZBKH-UHFFFAOYSA-N 482.604 2.785 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1286813803 CHFFEXKUKZBLJA-UHFFFAOYSA-N 491.511 2.811 30 10 JFEE CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)C1 1287049896 BAMICYPMLXDGOE-GUDVDZBRSA-N 474.606 2.792 30 10 JFEE Cc1cc(C)nc(-n2[nH]c(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c(CCO)c2=O)n1 1293233955 GHNGUGNHZYGSJP-ZDUSSCGKSA-N 452.540 2.611 30 10 JFEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@@H](O)C1 1294458398 ZJMAKEYLNAYXEY-NXMSCROESA-N 450.535 2.814 30 10 JFEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1295722021 HTFJNSGCCNPEHV-GOTSBHOMSA-N 479.629 2.765 30 10 JFEE CCOc1ncccc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1296905171 BXGNOAPHWZEJKO-OALUTQOASA-N 483.573 2.921 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CCC)[C@H]1CCS(=O)(=O)C1 1300482016 DAVRUPYUFWCWFG-AWEZNQCLSA-N 455.353 2.883 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300496100 OABKRTPVTNFALN-MRXNPFEDSA-N 469.533 2.956 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)c1ncc(C)s1 1300527269 DIPGDTXBKSCRQK-MRXNPFEDSA-N 457.563 2.833 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cc(C)on1 1300578655 FEOIRACMZADACJ-UHFFFAOYSA-N 455.522 2.873 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1300703920 WGSAXFSHIAEULP-IRLDBZIGSA-N 479.629 2.665 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCC)nc2)CC1 1300722050 GZMHMVJSWPYBKQ-NRFANRHFSA-N 466.586 2.718 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)c2nc(C)cs2)CC1 1300726214 IVRVIYPNQNXHPS-KRWDZBQOSA-N 463.611 2.798 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2ccco2)CC1 1300732042 JYOUFQCUAJNPFS-NYUJMHJJSA-N 483.613 2.663 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300831931 BMEIXGBRHYGUOI-NRFANRHFSA-N 484.358 2.540 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCCOC)CC1 1300864136 YZWYECHWNQMYPR-FPOVZHCZSA-N 461.607 2.517 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300936505 DDNJWVXOVZCCBC-LBPRGKRZSA-N 477.392 2.877 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301576727 ZGKZRSNJKMMCLJ-KRWDZBQOSA-N 459.616 2.510 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1301589496 TXSCQFSBLTUMTP-QFBILLFUSA-N 484.981 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1301589679 WECSXPWVTPSWFE-UHFFFAOYSA-N 476.603 2.702 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1301592562 ABAZIILSQVVATN-OAHLLOKOSA-N 484.047 2.526 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1302280848 ALBQDAXYHYPRBP-HXUWFJFHSA-N 482.585 2.852 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(OCc2ccccc2)c1 1303822464 BPWDAXRCUIUQPW-SFHVURJKSA-N 495.609 2.651 30 10 JFEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C(=O)OCC 1309807233 NCIJMRDZHUUMMR-HNNXBMFYSA-N 459.362 2.534 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1312624569 DPYJSJQVFOWCHS-PMACEKPBSA-N 455.559 2.605 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H](C)C1 1358875497 QWVJMHKMLYMJEB-QZTJIDSGSA-N 457.648 2.736 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnccc1OC 1358885461 KOVIIAUUDRXPHQ-QGZVFWFLSA-N 457.538 2.975 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358898605 WTUPLVOCTDTNLL-ZWKOTPCHSA-N 464.549 2.955 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1358934654 JCQUZWSPHFJYJL-UHFFFAOYSA-N 477.525 2.909 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H](C)N1CCCCC1 1358949937 RXAAMWIDOYRCKC-WOJBJXKFSA-N 460.623 2.920 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1-n1cccn1 1358950004 UPAPCSLKCGTHNA-NRFANRHFSA-N 477.569 2.890 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1358965360 TURZUYJVKGMYIL-FQEVSTJZSA-N 469.998 2.901 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1358966500 QHFOZFGWYHGECZ-PZJWPPBQSA-N 474.652 2.812 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358967717 QPLVYKRIWNGCDN-CZTZKLFOSA-N 472.611 2.644 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(C(N)=O)CCOCC1 1358972632 LZQVPTNMWDJVIS-UHFFFAOYSA-N 451.596 2.630 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1359037144 XFOHFBHGEWGHSW-RUZDIDTESA-N 482.648 2.900 30 10 JFEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)C)CC1 1359059897 DTAFVMHFMAECFH-UHFFFAOYSA-N 495.741 2.930 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359135330 ZUENRFDKKSWCJH-HXUWFJFHSA-N 454.531 2.740 30 10 JFEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1359245576 VAHWMIXBAZJBJY-HDICACEKSA-N 490.630 2.627 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1359265543 HVIIBWKMTAGJBX-FPOVZHCZSA-N 453.591 2.623 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C 1359265841 MXVSTJWNESVPCM-UGKGYDQZSA-N 497.644 2.761 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CC 1359282206 UKNPXVWAEZUTAC-UXHICEINSA-N 478.638 2.710 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1359304855 LQECDHLBMYBXAZ-NRFANRHFSA-N 455.559 2.563 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359336460 QMICSBORYARGQG-UHFFFAOYSA-N 497.547 2.740 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)[C@@H](C)C1 1359397173 VQNQJPNLMYDDEU-SFHVURJKSA-N 497.600 2.701 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1359471851 AODKKQDLZBQVDU-PKOBYXMFSA-N 494.662 2.813 30 10 JFEE CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1359642069 DOLHZPYFEUUREW-UHFFFAOYSA-N 493.015 2.888 30 10 JFEE C=CCN(C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)[C@H]1CCS(=O)(=O)C1 1464399889 NRMURSSKHVQOMX-INIZCTEOSA-N 453.561 2.604 30 10 JFEE CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1OC 1477872607 ATLJRSAJFKYBTN-SQJMNOBHSA-N 452.555 2.812 30 10 JFEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1500780837 COIORTDVXDWKCK-QFIPXVFZSA-N 485.658 2.553 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1503478097 BUSREHWYEAZLKO-IFMALSPDSA-N 466.586 2.564 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F 1503703933 CNMLBVUKRFRKQR-HNNXBMFYSA-N 451.497 2.519 30 10 JFEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCOCC1 1505188939 GWSHVSZONMIAOA-IBGZPJMESA-N 475.640 2.742 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCN1S(C)(=O)=O 1507524223 VATAVVGPLIBOGA-QWHCGFSZSA-N 472.434 2.651 30 10 JFEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507555915 BRHBMCOQRNISLG-QGZVFWFLSA-N 468.533 2.881 30 10 JFEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507580665 DFDIXOFADSVVKV-UHFFFAOYSA-N 454.600 2.616 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507624703 CXGMOBGTJYVQRC-PKTZIBPZSA-N 467.639 2.709 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507627097 IQAWRZCYEBFCTO-PMACEKPBSA-N 462.019 2.710 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507627687 FSJBPMKNDOHECE-OAQYLSRUSA-N 467.595 2.793 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN/C(O)=C1/N=CC=CC1=O 1507642641 LZRXORZFBQXMIE-KHUIZHDGSA-N 472.549 2.634 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CCOC)CCCCC1 1507644936 RAVCGGTZERGHRG-UHFFFAOYSA-N 458.570 2.981 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCCS1(=O)=O 1507677228 WHCPUMUJWLHRPN-OAQYLSRUSA-N 454.596 2.850 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(S(C)(=O)=O)CC1 1507682700 UJRUCLPKDPYXDR-UHFFFAOYSA-N 455.353 2.883 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](c2ccsc2)N(C)C)CC1 1507732525 OMMHWQHXYYKRCC-OAQYLSRUSA-N 480.638 2.985 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(N(C)C)CCOCC2)CC1 1507734278 KLMFDUZOKBOOLU-UHFFFAOYSA-N 485.032 2.675 30 10 JFEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)(C)C 1507782884 BHWIUHDJWIWPQW-UHFFFAOYSA-N 491.438 2.712 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1507802713 BZDCJJPAYRSXBB-CVDCTZTESA-N 474.005 2.799 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1507835529 DKBXFUOYDYOETO-UHFFFAOYSA-N 465.602 2.593 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507842562 JAHPMXFVMGLBRY-GOSISDBHSA-N 452.563 2.816 30 10 JFEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507844104 BYTVZGNLIQRLAJ-UHFFFAOYSA-N 480.660 2.804 30 10 JFEE C=CCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066562 BPQXUBHPDWEEPF-ZCNNSNEGSA-N 471.606 2.954 30 10 JFEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cc(OC)cc(OC)c1 1508098715 QYALSEOFLVASQK-KRWDZBQOSA-N 459.457 2.785 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 1508100412 JUCBLDJSCBHDOG-NRFANRHFSA-N 450.543 2.978 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1508135278 HBLQXBSTNMSMDJ-QFIPXVFZSA-N 459.572 2.693 30 10 JFEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1508153073 WLVDMXNOWPPHLB-MRXNPFEDSA-N 466.405 2.578 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1508791456 BSUKEPQSATXVFR-AONNBLCTSA-N 468.627 2.716 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCC(F)(F)CC1 1509682656 GPSAANUUCBTNBM-UHFFFAOYSA-N 472.544 2.835 30 10 JFEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c(OCC(F)(F)F)c1 1510869998 DHFGWZSLNBYCJO-HUUCEWRRSA-N 488.536 2.782 30 10 JFEE CC[C@H](C#N)Oc1cccc(CNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)c1 1521875040 CPCJJELPXTZJPQ-GOSISDBHSA-N 454.552 2.845 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2csc([C@H](C)OC)n2)c1 1539040100 MFLLPEKOGCXASJ-INIZCTEOSA-N 490.593 2.947 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539195425 YSCOYEGYWZQADI-RTWAWAEBSA-N 471.627 2.693 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1539229248 BEDOPHICTGFZKE-XLIONFOSSA-N 486.667 2.707 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1539231862 YZYGHUHHWLNCEH-HXUWFJFHSA-N 499.641 2.706 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1539245633 IVSPKOVCMJKAGA-NBGIEHNGSA-N 450.539 2.763 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539291002 VIIOUPHXIGIPSC-UHFFFAOYSA-N 479.581 2.840 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1csc(COC)n1 1539371618 XDFFCIBLMRIPRR-KRWDZBQOSA-N 476.603 2.697 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539382417 ICMLIRPEWRZMKG-OAHLLOKOSA-N 486.425 2.905 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ccc(C#N)o2)CC1 1539434271 GMFAQMDHYLITSO-UHFFFAOYSA-N 481.354 2.984 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCCCO)CC1 1539470222 ZMUGQOWJZDAAPN-UHFFFAOYSA-N 491.434 2.565 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539512721 FKKUQXZBCSSIHP-OAQYLSRUSA-N 489.667 2.787 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1539556900 JSMNBAPMQBHRLW-NBGIEHNGSA-N 470.618 2.841 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539624755 WCACIAXVJSJBNT-PUHATCMVSA-N 498.653 2.906 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1539683227 FZYXHFPMTXRNRW-INIZCTEOSA-N 478.619 2.563 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CC(=O)NC(C)(C)C 1539711955 LGUGVOZNPVTJCU-UHFFFAOYSA-N 453.635 2.570 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1540136348 GVJMUQSRWHIWSZ-FQEVSTJZSA-N 465.595 2.989 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](COCC)C1 1540869199 FMKKSPJJHJYMQW-IBGZPJMESA-N 493.612 2.791 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)N2CCOCC2)C1 1540884658 SUNHVGQAGDXVFQ-RBUKOAKNSA-N 473.549 2.587 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1540887257 TUBBTGOOEKCGFS-LJQANCHMSA-N 498.074 2.758 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1540900759 GZWYSSIVXPKUHU-HXUWFJFHSA-N 457.531 2.658 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1540917524 YPFBIEKPYSFCLQ-WOJBJXKFSA-N 462.641 2.547 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540917528 YQKJLHFPWXRTLF-VQTJNVASSA-N 473.624 2.549 30 10 JFEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1541027043 FWEPHMRZIJVZRO-HARZFBFZSA-N 498.653 2.913 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCOCC2)CC1 1547770922 AIFFNHWZDJSHHZ-UHFFFAOYSA-N 469.615 2.580 30 10 JFEE COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2F)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367701 GTCHLRLRUFLELF-FQEVSTJZSA-N 496.436 2.949 30 10 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C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 673057679 IRJQGZYMFODCOQ-UHFFFAOYSA-N 471.623 2.652 30 10 JFEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2ccc(Cl)c(Cl)c2)n[nH]1 1084657348 JLTFMCWYOYGRRK-UHFFFAOYSA-N 497.412 2.772 30 10 JFEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)c1 1125570491 VMZDSXAHUDFLOL-UHFFFAOYSA-N 459.593 2.543 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 1152744194 HTKPTSQRQNJZRA-DENIHFKCSA-N 454.596 2.738 30 10 JFEE C=CCN(Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)Cc1ccccc1F 1167138816 QIUUDRRRKSRJJY-UHFFFAOYSA-N 459.499 2.814 30 10 JFEE C#CCOc1ccc(Br)cc1CNc1ccc(S(=O)(=O)NCCOC)cc1 1203619063 RFVFWINUTGLAPC-UHFFFAOYSA-N 453.358 2.998 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286382693 KBXYTXYKGLUMJA-MRXNPFEDSA-N 496.431 2.622 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1286399572 JFEPSXZNDDUBLF-IJCFDHGGSA-N 478.940 2.671 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCCCC1=O 1286460341 XARGXRPMKCEBLW-UHFFFAOYSA-N 463.380 2.524 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1286549229 WPTOQWGJEPUIQT-TYPHKJRUSA-N 450.543 2.857 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1286563266 CLWKAAVMMVSUIA-DENIHFKCSA-N 460.600 2.690 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nc(C(C)(C)C)cs2)CC1 1286645603 GFQFYDIRGKSEJE-KRWDZBQOSA-N 494.687 2.764 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286670176 BJWBORBZXVNGQY-WOJBJXKFSA-N 481.663 2.753 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 1286700226 KYRKUOFCKNCVBV-FQEVSTJZSA-N 459.616 2.745 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(N)=O)CCCC2)c2ccccc2c1=O 1286964839 DWGULEZMPDTOBP-KRWDZBQOSA-N 476.585 2.877 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CN(Cc3ccccc3)CCO2)n1 1290589277 FCCBEUCBYUIRPP-REWPJTCUSA-N 462.602 2.779 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCn1cc(CO)nn1 1300430161 IHKQYSSVIVAZAZ-QGZVFWFLSA-N 457.966 2.932 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300479904 URNKVNVDFRSQBH-JOCHJYFZSA-N 485.654 2.683 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300483177 JEAXWNMKQLWJIE-HSZRJFAPSA-N 482.654 2.952 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1(CS(C)(=O)=O)CC1 1300516633 RPPZZACLYKUZDH-UHFFFAOYSA-N 461.385 2.605 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C(N)=O)CCOCC1 1300548793 PHTDCSJAPHFZGY-UHFFFAOYSA-N 476.364 2.519 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nncn2CC)CC1 1300711353 AJFBCSMAMTVBLD-FQEVSTJZSA-N 490.612 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2ccnc2C)CC1 1300726246 JJTGXHADRVPLQN-UHFFFAOYSA-N 463.561 2.569 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1300746555 UFNOZHGLTHBOIU-DEOSSOPVSA-N 482.610 2.814 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1300766825 LKUWQTLSHSWXPM-UHFFFAOYSA-N 468.656 2.761 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1300884941 NBKKUKBJMAFUPV-WTGUMLROSA-N 477.606 2.793 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2ccco2)C1 1301483206 KJOBCHCVXGQXDY-MRXNPFEDSA-N 461.320 2.509 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301492852 PHVSMOADQPMKMD-QZTJIDSGSA-N 494.365 2.533 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301520909 STSFSYQNYRHIQX-IEBWSBKVSA-N 471.606 2.748 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@@H](COC)C1 1301576595 FVNXADCDDXLIQK-GOSISDBHSA-N 476.599 2.570 30 10 JFEE CC(C)(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1302194229 DIDLFZOJZBZLMR-UHFFFAOYSA-N 470.643 2.952 30 10 JFEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1303302105 BURJBAQQDXZALA-VXKWHMMOSA-N 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UQVMYIUFKXCQLE-HNNXBMFYSA-N 498.390 2.988 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCNS(C)(=O)=O 1508008128 CDKBHRCQKRUENQ-UHFFFAOYSA-N 452.993 2.797 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1508060814 FZWCWKRIJGWSJN-UHFFFAOYSA-N 468.606 2.943 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1508144232 OFYWHFGZXHASCQ-SFHVURJKSA-N 453.568 2.652 30 10 JFEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1508815528 AGFGNBZALROMFB-OYRHEFFESA-N 493.612 2.892 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1 1509780785 GJWQAFUXZHMVMJ-IBGZPJMESA-N 462.645 2.722 30 10 JFEE COCC1(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1518793633 FAEMIEXYZIXESS-UHFFFAOYSA-N 453.591 2.513 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1nc(C)cs1 1519129916 DUYWPONTTXVZLJ-UHFFFAOYSA-N 465.583 2.852 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC(C)CC1 1539002168 QRCVOVXCDCASFI-OALUTQOASA-N 457.648 2.817 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCc2noc(CC)n2)c1 1539046286 PUICUXBPNGIZCW-UHFFFAOYSA-N 490.593 2.878 30 10 JFEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539081504 BKUCGRHWPULPIP-HXUWFJFHSA-N 476.585 2.809 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539218852 FFERWLAAQXHUBD-RRPUWOKSSA-N 472.586 2.616 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(N2CCOCC2)nc1 1539336769 FRLWZFKXPNRRIS-UHFFFAOYSA-N 470.577 2.908 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(CC)C1 1539337291 GEBRZDPFYJYRHE-PCCBWWKXSA-N 454.619 2.854 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)cc(C)cc2C)n1 1539424415 PUHMMGGVXAUDKR-HSZRJFAPSA-N 475.597 2.685 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1539454431 NSXKSUQRNVAALD-UHFFFAOYSA-N 482.629 2.742 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnn(CC)c2)CC1 1539470006 XDRDUVFHTCTISX-UHFFFAOYSA-N 496.413 2.938 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCCO2)CC1 1539489312 UJFIAYURACJTRA-QFIPXVFZSA-N 451.571 2.700 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1539491410 PJAPARQAWZMWOD-UHFFFAOYSA-N 476.050 2.938 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539505789 MQOIZPSGRZUCEG-AWEZNQCLSA-N 471.446 2.943 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539507166 SEXNZNILQVWEGI-FQEVSTJZSA-N 471.627 2.630 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)N1CCOCC1 1539567531 ZAKCAEIPYUOPIV-RUZDIDTESA-N 451.571 2.715 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539734826 FSLZYRXCRZNXNE-UHFFFAOYSA-N 477.613 2.544 30 10 JFEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539859132 LPGZVDDHDINENC-IBGZPJMESA-N 455.559 2.517 30 10 JFEE C=CCCCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1539975708 YNOCQDDCJTZESP-RZPFDVGOSA-N 488.677 2.665 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1540170979 UYBSTQJSDMQGMU-LJQANCHMSA-N 457.579 2.970 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540854965 QASUXDHQAYKKLL-INIZCTEOSA-N 450.561 2.560 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccs2)CC1 1540866130 CVNROEJZDZSPDU-UHFFFAOYSA-N 468.583 2.653 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1540873426 XHXYFBOFWLEVRA-GOSISDBHSA-N 475.553 2.720 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCOCC1 1540908228 DGDWGIRBXBFRHP-IBGZPJMESA-N 497.662 2.814 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccn2)C1 1541201182 BIZQGYANZVSJCW-UYAOXDASSA-N 467.574 2.759 30 10 JFEE COC(=O)c1sc2ccccc2c1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1542873882 ADIUDJYQWAVXOE-CYBMUJFWSA-N 457.533 2.543 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1548333400 GBVCWBZBIIGLRG-MOPGFXCFSA-N 490.605 2.775 30 10 JFEE CS[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555832100 FQBUBJKDYGSMRN-MRXNPFEDSA-N 457.579 2.603 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 1585593298 CHQXRHZTIYMJFM-UHFFFAOYSA-N 458.555 2.894 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1587620472 FUOFBZLHYBCZDX-KRWDZBQOSA-N 491.596 3.000 30 10 JFEE C#CCCCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1587793380 LFBXQTGIXQQFOG-HSZRJFAPSA-N 464.632 2.671 30 10 JFEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](S(C)(=O)=O)C1 1587817796 HEXWCEZGIAQHLL-AWEZNQCLSA-N 455.353 2.883 30 10 JFEE C#CCCCn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1587894083 NUVINLSSKMPRRN-DVECYGJZSA-N 471.606 2.561 30 10 JFEE C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588157578 DDPIPKWOLDDBBD-INIZCTEOSA-N 459.955 2.954 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1588186317 VVMKHQYSIDZPEY-SIKLNZKXSA-N 467.536 2.666 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1588969001 UJKASXHWIPZCPO-BVZFJXPGSA-N 469.561 2.513 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1589134519 MTENNFVZEJYBAS-HCXYKTFWSA-N 479.647 2.718 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOCC)CC1 1589557316 HFUXVOWIICZDAO-UGKGYDQZSA-N 460.648 2.774 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1589589985 RIRQVIQMKPEDMG-KXBFYZLASA-N 475.537 2.741 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1589651589 BRZGEWJMWTULDG-RBBKRZOGSA-N 451.619 2.842 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1593776037 HGTKQPXNGJEJOV-SQNIBIBYSA-N 461.529 2.668 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1594783721 HFQZMDZCFMASKU-UHFFFAOYSA-N 471.562 2.575 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](COC)C1 1594807387 NEVPZBAUMBMPGU-SFHVURJKSA-N 452.559 2.648 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COCCO1 1595120594 WOSNBTKDEVFTHB-LJQANCHMSA-N 453.568 2.878 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1595811855 DLKBTMTYIIWUST-KNQAVFIVSA-N 467.595 2.831 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncccc1N(C)C 1596840110 BFZLUMVSYBHPKC-QFIPXVFZSA-N 487.656 2.748 30 10 JFEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)Oc1ccc(Cl)cc1 1611482842 AFFVCHSTDPGPSB-HUUCEWRRSA-N 466.995 2.749 30 10 JFEE CC[C@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1613650814 HKMOCUJIVPTUQX-TZIWHRDSSA-N 490.612 2.874 30 10 JFEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1613700905 FQUBEKLACKTPRE-JOCHJYFZSA-N 460.604 2.683 30 10 JFEE CN(C)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C#N)c1 1617593101 HSZKICCDNMBGEQ-UHFFFAOYSA-N 465.583 2.646 30 10 JFEE C[C@H]1Oc2ccc(C(=O)C3CCN(S(=O)(=O)c4ccc(CC#N)cc4)CC3)cc2NC1=O 1621753774 CCPAVUKJGGGVRY-OAHLLOKOSA-N 453.520 2.756 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 1627176981 IBSMNSZQCBJNAL-IBGZPJMESA-N 454.284 2.919 30 10 JFEE C#C[C@@H](NC(=O)[C@@H](CCC)NC(=O)NCc1ccc(Br)cc1)C1CCOCC1 1633417398 FFTVQDOVYYGYMM-RTBURBONSA-N 450.377 2.962 30 10 JFEE COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(Br)c1 1654128290 FSIZGXMJSGIBPA-MRXNPFEDSA-N 450.358 2.856 30 10 JFEE C#CCN(C(=O)Nc1ccc(I)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1657772181 ZRMFAXBRLPRJAP-LLVKDONJSA-N 452.701 2.599 30 10 JFEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)Nc2ccc(Br)c(C#N)n2)s1 1672173836 DRUFOVOSOATPHA-BDAKNGLRSA-N 452.338 2.914 30 10 JFEE C=CCC1(O)CCN(C(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)CC1 1679140274 NCYYBDUVIPVITI-UHFFFAOYSA-N 451.365 2.662 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689940859 FMSMYLOIGDIPLR-VWLOTQADSA-N 457.619 2.961 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1689959840 OXGKPXSHKRPNAI-QGZVFWFLSA-N 489.646 2.953 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1689986108 IWLZPBRPZLNJND-KRWDZBQOSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1689992857 PXOHZVKCAYLRIN-PKTZIBPZSA-N 469.655 2.770 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCS(=O)(=O)C1 1690040815 PNTNWJDMSDPVBD-QGZVFWFLSA-N 475.412 2.995 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690054522 AJIPQCJEDGJPPP-CPJSRVTESA-N 450.539 2.667 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@](C)(O)CC 1690097812 OYIQMUGMRWLUFF-HXUWFJFHSA-N 451.365 2.963 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2nc(C)c(C)s2)n1 1690109106 GZNQPITVYFHTHK-UHFFFAOYSA-N 450.572 2.878 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1690155951 QKKPMTSYCIUCGZ-OALUTQOASA-N 454.600 2.935 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1690188111 DUQRVWKTUVVTEM-AREMUKBSSA-N 464.614 2.665 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690230373 AOJOAAPGBASREI-UHFFFAOYSA-N 479.448 2.583 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1690232835 XSIPETOSHGVMFV-UHFFFAOYSA-N 468.377 2.508 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690302501 GGDAZHXKQMUOMX-LJQANCHMSA-N 484.626 2.744 30 10 JFEE C=C(Cl)Cn1c(CC(C)C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690346345 QXZQXCJRJVPOAA-HZPDHXFCSA-N 455.987 2.979 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1690437769 OSUMTEGTWTVGGT-UHFFFAOYSA-N 465.606 2.867 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(Br)s1 1690675234 TUHXGVGTFIIVQE-UHFFFAOYSA-N 478.420 2.902 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCCC2)C1 1690700541 UEFDKCLDQVRUGC-WOJBJXKFSA-N 466.648 2.949 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCSC2)C1 1690714419 MJJFIXNRNZTLJB-BSRJHKFKSA-N 479.647 2.999 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(F)(F)F)CC1 1690729264 KIZNFRIVAOIRJI-UHFFFAOYSA-N 489.545 2.569 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1690740487 XJKHEXHODVELMD-UHFFFAOYSA-N 467.574 2.685 30 10 JFEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1Cl 1696599184 CIZAIMDYNXQHCQ-RRMPHLOHSA-N 480.997 2.578 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(=O)OC)CC2)C[C@@H](C)O1 1697893152 FJIWQAGGJVYHBY-UTKZUKDTSA-N 468.558 2.535 30 10 JFEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)C[C@H]1OC 1698291818 IAWHZNBJAZMMAV-RJGXRXQPSA-N 468.602 2.699 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705562570 FSAPMEMQFGNKJW-ZFWWWQNUSA-N 485.379 2.508 30 10 JFEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1705566388 NMIBRUGIWSBLEW-NQIIRXRSSA-N 456.568 2.774 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1705574594 IEYYOLGLLBTUOD-UQBPGWFLSA-N 460.538 2.857 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705576402 KNUSCDZJBZCWLK-OAQYLSRUSA-N 483.016 2.623 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCOC[C@H]1C 1705592180 RLLCRRUBJGHWDQ-GOSISDBHSA-N 456.388 2.891 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1csc(COC)n1 1705618492 JDPJNHCYYPVMEC-UHFFFAOYSA-N 468.558 2.944 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(Br)cn1 1705623425 RAIIVCRYJKQPOA-UHFFFAOYSA-N 468.359 2.952 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCCC2(C)C)n1 1705631632 KSLGRJSCPVSGLM-HYBUGGRVSA-N 456.591 2.554 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1705644676 YYSFDJPZNDGIIO-XUZZJYLKSA-N 478.641 2.658 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2SCCc3ccccc32)CC1 1705644972 HTZMHUMURQGNPQ-XXBNENTESA-N 497.665 2.999 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705655058 BVTQQDIMJYRDPA-LJQANCHMSA-N 460.003 2.793 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1705672451 YZQYGTUPJPHFOD-RUZDIDTESA-N 461.570 2.753 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705682455 ADNCEPAIYSBORJ-OAHLLOKOSA-N 462.348 2.887 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705735270 MXORMZORXVXTBZ-NHCUHLMSSA-N 468.650 2.964 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705739193 XVFSPKHUQXERBT-UHFFFAOYSA-N 468.602 2.808 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1705829182 JTUSBJKWEOKBRV-FUHWJXTLSA-N 487.992 2.725 30 10 JFEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1705835588 OPAAHMHRLAAUQX-UHFFFAOYSA-N 472.640 2.803 30 10 JFEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1705899677 CJNURXAUCXRFKW-UHFFFAOYSA-N 463.586 2.623 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)CN2CCCC2)C1 1705919757 KKENMZHWLVKMPF-CTNGQTDRSA-N 473.643 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705931167 HWSHDDNZMXHOSQ-OPAMFIHVSA-N 498.552 2.532 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1705939483 FCRGXXIXDGRYOE-QGZVFWFLSA-N 489.667 2.833 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCc2nnc(C)s2)C1 1705966705 NPDNGQGCJVGPEC-HXUWFJFHSA-N 494.625 2.826 30 10 JFEE CCN(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1ccsc1 1710017430 DJLRIYRIGWQMJW-QFBILLFUSA-N 479.676 2.773 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 1722309133 JTCOICKPZRBPKB-MJGOQNOKSA-N 482.585 2.751 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722360667 BSULICUMFCVEAJ-MJGOQNOKSA-N 490.651 2.732 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722360848 CKBRXYIIIHGHAY-NJAFHUGGSA-N 466.007 2.681 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1722367523 WLBNDZPMJIWXBD-ICSRJNTNSA-N 458.632 2.708 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC[C@@H]1OC 1722424203 FXDLNLDDSAKLAZ-APWZRJJASA-N 463.376 2.845 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1722436126 XRHADMWCUQWQOF-NHCUHLMSSA-N 453.587 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1722445802 DHUFTSUVNZAKNQ-LJQANCHMSA-N 481.601 2.639 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CSCCS2)CC1 1722445864 ZGOLMSNJXFLHTA-QGZVFWFLSA-N 459.616 2.899 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCC(=O)N(C)C 1722467835 GNFHZIHDIDYPCL-XMMPIXPASA-N 455.559 2.831 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722495198 WEVKBVLDSPBQHP-DOTOQJQBSA-N 481.523 2.884 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCCN(C)S(=O)(=O)CC 1722497956 JJJYJBRQVOAXHH-JOCHJYFZSA-N 463.579 2.660 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1C(C)(C)C 1722500810 NCQQLYWRIRELMK-IRLDBZIGSA-N 458.651 2.691 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722510539 SIXBEFAZWONSKS-XJUOHMSHSA-N 498.628 2.975 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1722535145 ZWQABTPYFGSXQF-LJQANCHMSA-N 493.612 2.886 30 10 JFEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722535991 JPIUBDLFYJLGIV-ROUUACIJSA-N 457.600 2.887 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1722574328 KJNBJMMOKWPVEU-PKOBYXMFSA-N 476.622 2.956 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1722653873 FHTWMMAAARNDSX-HSZRJFAPSA-N 482.629 2.537 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722692093 WQYJAUJNZQFEEE-UHFFFAOYSA-N 491.396 2.549 30 10 JFEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1722705313 BMRBCLIDKFLCPC-IBGZPJMESA-N 459.616 2.924 30 10 JFEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1723002332 DKDPHGJGFGUTJQ-LJQANCHMSA-N 465.558 2.795 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1coc(-c2ccccc2)n1 1723926882 DYYSZYHDYDLFAM-MRXNPFEDSA-N 469.571 2.722 30 10 JFEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1727714480 HRLNYEWDTYGWQP-QFIPXVFZSA-N 499.685 2.941 30 10 JFEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C 1728612901 ALWDULVRZYMZJB-NZQKXSOJSA-N 451.619 2.704 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1729728036 BGLNJLCWYXTVQE-UHFFFAOYSA-N 494.600 2.678 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1cccs1)N1CCOCC1 1740557028 HJNGRIGZCKYSQW-UYAOXDASSA-N 453.616 2.733 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCc2ccccc2F)CC1 1740589884 BUGZRZQUTOQVNT-IBGZPJMESA-N 460.575 2.918 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740609892 UYSQZQFIMUUKQZ-KRWDZBQOSA-N 477.569 2.661 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC1(N2CCOCC2)CC(OCC)C1 1740613781 TUOUSOMEDCRBFF-UHFFFAOYSA-N 467.614 2.813 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C(C)C)N1CCOCC1 1740650658 ILAKWAAFXOPZMN-QFIPXVFZSA-N 463.582 2.536 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1740716646 WCJTUTLUDZYZNQ-LJQANCHMSA-N 455.559 2.834 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 1740752057 RZAPEPOKDBOFSC-SZMVWBNQSA-N 480.660 2.710 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740764224 VDWJVXDGKUJEBQ-NSHGMRRFSA-N 495.550 2.626 30 10 JFEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740799009 FBVMLZQYPHXYKW-NXMSCROESA-N 490.605 2.672 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1740810309 BCAUQGVTJKKKTC-PKOBYXMFSA-N 478.018 2.579 30 10 JFEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740879506 IGDOXOFRLGAPNO-UHFFFAOYSA-N 456.566 2.707 30 10 JFEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740882589 QVYSIYJDPGSSHH-LJQANCHMSA-N 455.559 2.614 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1740941950 XHEBCWVDKUBMCP-SFHLNBCPSA-N 493.699 2.964 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740953128 WOFVUWJUOAUODS-SJORKVTESA-N 460.376 2.873 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1740960549 UQIFKEQOARCNMZ-UHFFFAOYSA-N 464.574 2.998 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1740986819 IFCHBECQPWGPNK-ZIAGYGMSSA-N 454.394 2.729 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1740993456 BFHFHPLMSACMTM-GOSISDBHSA-N 492.005 2.544 30 10 JFEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)CC1 1746511477 HSPGROKHVUCQRX-UHFFFAOYSA-N 463.611 2.688 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@]2(OC)CCOC2)c1 1748694871 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OBGPMJFRQHWSSG-UHFFFAOYSA-N 499.566 2.943 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCc1ccccc1F 1359064606 WQGNCKXZNVIQHW-IIBYNOLFSA-N 465.620 2.953 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1359091012 IHRRTWUHPFKORN-ZJSJBZJDSA-N 475.615 2.657 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359095267 MKLXJWYPDXSQFD-ZJOUEHCJSA-N 459.616 2.753 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359099120 KFIWCCRSHFRALR-SBHAEUEKSA-N 465.664 2.852 30 10 JFEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359122585 DAPWGOGEKRYDME-UHFFFAOYSA-N 482.050 2.975 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1359133609 WERHFUOSEYYDRL-FQEVSTJZSA-N 487.576 2.632 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1359257519 MKDQTLPMYHHSFV-QUCCMNQESA-N 469.615 2.855 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359332017 MQTWRVAQGWWMFG-MSOLQXFVSA-N 483.635 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1359335718 SNQIDOVZOQHDNG-DEOSSOPVSA-N 474.627 2.915 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1360261159 AEFMOXMIXMJEKH-SZPZYZBQSA-N 492.672 2.726 30 10 JFEE C=CCn1c(SCC2(CC#N)CC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1472936006 PPLZDYISUSTYCH-UHFFFAOYSA-N 459.597 2.938 30 10 JFEE Cn1c(SCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)nnc1-c1cccnc1 1472936702 DLWJRUTXJLZCNS-LJQANCHMSA-N 451.531 2.517 30 10 JFEE C[C@@H]1COCCN1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1494589476 FBTXVHWBANYTBR-ZBFHGGJFSA-N 451.358 2.701 30 10 JFEE N#CCC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1505323618 HGCLVMACZARKCS-ZWKOTPCHSA-N 456.513 2.913 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(CC(F)(F)F)CC1 1507528518 NNJSPUOTFOOJLG-INIZCTEOSA-N 497.591 2.970 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCC2)c1 1507551080 UZEVLOFPMVHGNT-GOSISDBHSA-N 487.651 2.522 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1507577122 PJCDCNRFQWDDLC-TZIWHRDSSA-N 457.600 2.614 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1507596736 OSERUCNQBQFPCM-VXKWHMMOSA-N 457.619 2.890 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507629092 ZPXVLQCMYBKUPU-MJGOQNOKSA-N 476.574 2.611 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1507640781 WBXIRISGPMMBRU-HSZRJFAPSA-N 493.633 2.992 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCc1nc(C)cs1 1507645320 ZSTGLCRBMWEUDG-UHFFFAOYSA-N 457.567 2.781 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507655214 BVXVKGTTXQXAOR-RNHFSVANSA-N 469.586 2.761 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507824404 AXFAQJVPKRSKHR-LJQANCHMSA-N 489.020 2.628 30 10 JFEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NC)CC1 1507916172 LJWNBYUEUNFILT-UHFFFAOYSA-N 467.622 2.516 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507960007 PSQMCVHBXARCDW-UHFFFAOYSA-N 458.929 2.842 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2cnc(C)s2)CC1 1508073979 LPAZTUBKCKHQPC-KRWDZBQOSA-N 499.616 2.947 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1508079481 XILLXUKWFKQYFX-IBGZPJMESA-N 465.558 2.730 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)N2CCOCC2)C1 1508119969 YCKJXFUGBAFTAI-IBGZPJMESA-N 477.512 2.577 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1508136619 TZIKXPGWXFDHAW-HZPDHXFCSA-N 466.629 2.893 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1516005415 FQJWDVJYJXEASK-BGYRXZFFSA-N 494.644 2.556 30 10 JFEE Cc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nn1-c1ccccc1Br 1525465068 AENULCKEXOBXPY-UHFFFAOYSA-N 456.304 2.627 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(C(N)=O)CCOCC1 1538972624 ISVXFNWDOUJWDF-ZDUSSCGKSA-N 464.339 2.587 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1538987085 QEOJRJCNLZRSMJ-OAHLLOKOSA-N 458.975 2.750 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539210730 GAVDOXVSZHBTDC-CLLDFNAGSA-N 494.665 2.954 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1539213109 VYXKWYXNKOZWBR-RTBURBONSA-N 490.651 2.875 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539220423 JHMWQAUVLVWLGE-NJDAHSKKSA-N 472.611 2.575 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1scnc1C 1539268300 MJZULEQEWCHHLH-GOSISDBHSA-N 470.599 2.667 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cc2c(cc1OC(F)F)OCO2 1539407392 ACOVUFAYAFXUSZ-UHFFFAOYSA-N 457.437 2.805 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCCC1 1539557042 KNTRGWUTIDQBLR-NZQKXSOJSA-N 493.674 2.590 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539646647 ZEOZMHQHHAZRSO-ZVLHEHLASA-N 475.634 2.868 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539717508 DEHUEBDHWPKIOP-UHFFFAOYSA-N 463.604 2.692 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540126171 GTDBJKGAWPKZOA-MOPGFXCFSA-N 478.519 2.685 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1540126553 LGQQDKARLDYOST-NRFANRHFSA-N 466.611 2.882 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1540180646 RXMUSDLAFBWDBN-OAQYLSRUSA-N 454.600 2.680 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540875627 RXHFPTHXPLDVPX-FGTMMUONSA-N 457.600 2.742 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnn(C)c2)C1 1540890912 MLBQKQIJXRZNOX-FQEVSTJZSA-N 471.606 2.956 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1540902768 PSQOBZUQWRKZNZ-IBGZPJMESA-N 497.662 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540903580 GIOOVMJLDDFBIP-UHFFFAOYSA-N 498.996 2.658 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)s2)C1 1547779673 GCGZGFNRZXNVEC-LJQANCHMSA-N 456.597 2.753 30 10 JFEE CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)c(F)c2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367959 ZAKNRHRKFCOYOT-LJQANCHMSA-N 484.475 2.650 30 10 JFEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCn2cc(Br)cn2)CCO1 1555992705 ADWSSAKWQRDJBV-QGZVFWFLSA-N 476.766 2.910 30 10 JFEE Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457502 HQZZXPMIEVEJHH-KRWDZBQOSA-N 452.312 2.738 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1588049208 CBFNUOGCQIPHBC-GOSISDBHSA-N 459.934 2.808 30 10 JFEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588050842 VVDCCZVHBONLHI-JQHSSLGASA-N 484.548 2.674 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCS(=O)(=O)C1 1588059683 SDTUCSWGEIXBJZ-QFIPXVFZSA-N 483.638 2.890 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCc1nccc(C(F)(F)F)n1 1588166986 UPJOUZGXYRUQQO-UHFFFAOYSA-N 470.455 2.990 30 10 JFEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@H]1C 1588698040 XAKYXKLKGCWUOA-KKSFZXQISA-N 450.992 2.850 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)CN2CCOCC2)CC1 1588780903 YJSXMENOLLXJID-SFHVURJKSA-N 477.440 2.975 30 10 JFEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCOCC2)CC1 1588837598 ZOHUCAQGZHOMBP-UHFFFAOYSA-N 450.631 2.502 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCN(CC)CC1 1589143058 XATVMHLDZDEISO-RXFWQSSRSA-N 498.075 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1589503509 DQJZSTCKQIIEMM-UUOWRZLLSA-N 499.612 2.675 30 10 JFEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1589675980 JVZXGHBWSNRZLA-HSZRJFAPSA-N 479.673 2.960 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1593635764 ANQWAJSIBNJMRX-FQEVSTJZSA-N 492.665 2.957 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1594193294 QCBPJDGFEHQHJM-SJLPKXTDSA-N 482.651 2.690 30 10 JFEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccccc1 1594535564 SRZVSMYNYRDKNF-PZJWPPBQSA-N 450.587 2.966 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(C)=O)CC1 1594582018 KKZOGPUEHYIEMU-UHFFFAOYSA-N 474.631 2.657 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1595890015 GHSCEMKIVMWVPM-UHFFFAOYSA-N 481.601 2.748 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(Br)cn2)CC1 1596171932 HUUHXLANRKYQJN-UHFFFAOYSA-N 483.374 2.535 30 10 JFEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CCN1CCOC 1614216525 IFMPZPZCJKRBMS-AUSOSSAASA-N 470.643 2.665 30 10 JFEE C=CCOC(=O)Nc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@H]2CC(=O)N1CCOCC1 1616125883 AITXTPXSFGPIRW-KCRKSLTMSA-N 493.626 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2.970 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358964085 SWUFCDHWMZBABB-SFTDATJTSA-N 475.634 2.935 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1358976653 MHSBGXXIFGYHPK-UHFFFAOYSA-N 499.600 2.629 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358981114 WXBSDBFSPVZAKR-UHFFFAOYSA-N 456.579 2.952 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCCS1(=O)=O 1359021186 FULCSQKETQZFJS-IBGZPJMESA-N 453.568 2.547 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1359030943 LAWLXCILLRXEKY-UAPYVXQJSA-N 457.550 2.864 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H](OC)C(F)(F)F)CC1 1359031884 SNXXALFBBZPKGV-KRWDZBQOSA-N 452.437 2.576 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1359037668 RZIAWSVWYXVKPM-OAQYLSRUSA-N 496.656 2.988 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1359041931 MPYBUDMJBRDXQR-JOCHJYFZSA-N 466.630 2.896 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359053559 QZNLDYBQWFLCJR-NRFANRHFSA-N 468.671 2.925 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CCCO)CC1 1359055078 RXFBWAMOSLDMAM-UHFFFAOYSA-N 476.672 2.594 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](c2ccccc2)C1 1359057348 XLSXYVQAZODDDA-UXHICEINSA-N 460.625 2.515 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccc(O)c1 1359076564 FSBJFKAFJKYWLW-QWHCGFSZSA-N 458.382 2.700 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359089848 QDIQZNPMRUUWER-GDBMZVCRSA-N 469.512 2.786 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccco1 1359113649 NAWSBSWEQKTPGD-UHFFFAOYSA-N 464.574 2.878 30 10 JFEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359122537 ZUIVCGNIHPKXHS-UHFFFAOYSA-N 452.513 2.963 30 10 JFEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(C)CCOC)CC1 1359177330 ITSNSWGZMUEPJE-UHFFFAOYSA-N 451.575 2.965 30 10 JFEE 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486.642 2.632 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1690596811 AUMRGCZCYCJXLY-FQEVSTJZSA-N 452.584 2.787 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690660814 OWUXMUNXEDDLMT-FYYLOGMGSA-N 466.630 2.671 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCCC2)C1 1690700538 UEFDKCLDQVRUGC-PMACEKPBSA-N 466.648 2.949 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1690714953 ZHVUFYHWZYERTE-OTWHNJEPSA-N 495.646 2.566 30 10 JFEE CC(C)N1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)CC1 1692485669 ARHDNYUSILZNHG-UHFFFAOYSA-N 463.586 2.704 30 10 JFEE CCN(CC)CCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1695658665 GEISTVMQKXGJAP-UHFFFAOYSA-N 463.565 2.804 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705508015 HMFRODCVHBAJFH-UHFFFAOYSA-N 486.642 2.859 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705563829 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30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(OC)CCCC1 1764176094 CCWXQMGOYACKKD-UHFFFAOYSA-N 480.617 2.749 30 10 JFEE CCCN1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1764443967 DXBPAQRMQRMRTM-UHFFFAOYSA-N 453.591 2.518 30 10 JFEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1765008960 ANFJVJFOVMMJFG-NRFANRHFSA-N 450.591 2.589 30 10 JFEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1770896852 CWXJQLWBIGZJIE-MFSJNOQSSA-N 455.559 2.522 30 10 JFEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862440706 PTRTXHMABSQNMI-JEOXALJRSA-N 474.853 2.979 30 10 JFEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(Br)cc2)c1 1862566399 UYJOGCLBMBFNFO-SFHVURJKSA-N 458.312 2.746 30 10 JFEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862600837 QIGGYFMIKUBFTB-QFIPXVFZSA-N 451.523 2.953 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@@H](CO)C2)=C(N)Oc2c1c(C(F)(F)F)nn2C 1865226150 MICACJWAKUFSSG-PBHICJAKSA-N 492.498 2.929 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC(N(C)C)CC2)=C(N)Oc2c1c(CC)nn2C 1865226447 WVEBXKHGAQSPCR-OAQYLSRUSA-N 465.598 2.795 30 10 JFEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 1870143941 IFKTXMGNCFYTRL-HXUWFJFHSA-N 458.478 2.797 30 10 JFEE COC(=O)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(OC)c1O 1874222466 RZZOKUSPPAIDQD-ZMOGYAJESA-N 486.550 2.942 30 10 JFEE COc1ccccc1OCc1nnc(SCCO)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874291721 SMGUCKMFZYFTRP-YDZHTSKRSA-N 474.539 2.858 30 10 JFEE CCCN(CCC)C(=O)CSc1nnc(C)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874533089 REMZNUUQTULYNL-CIAFOILYSA-N 462.532 2.889 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(CC3CCCCC3)n2N)nc1C 1874544457 XTFDTKNUKRFSIB-UHFFFAOYSA-N 450.590 2.953 30 10 JFEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCCN(CC)CC)ncnc21 1875228719 AQQUFEQYCFCZOP-UHFFFAOYSA-N 456.591 2.740 30 10 JFEE COc1cc(NC2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)ncn1 1889686497 XIDASGXCGQGIOH-RPWUZVMVSA-N 494.621 2.853 30 10 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478.622 2.584 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCN1S(C)(=O)=O 1358973186 ISHXYLRJAIEBIV-MRXNPFEDSA-N 466.394 2.749 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1359001558 XLPMUSVVEZIONJ-QFIPXVFZSA-N 457.966 2.717 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCCO)CC1 1359032299 JUTNGIZVCMYUQD-UHFFFAOYSA-N 450.356 2.765 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1359034882 FPTYLNCTACJKBC-NZQKXSOJSA-N 464.614 2.504 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2OC)CC1 1359038672 FDFWJIAMTZROHC-UHFFFAOYSA-N 482.972 2.726 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359048214 IWBZKHBVMPOMFJ-UFRUDQCGSA-N 474.030 2.825 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1359215852 KVNKQCFKWFAKHM-APWZRJJASA-N 463.579 2.840 30 10 JFEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359220852 LDXDOYCPHQQIAO-BKMJKUGQSA-N 488.677 2.808 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1)C1CC1 1359251328 IXZGWTUNATYKLB-OXQOHEQNSA-N 463.579 2.709 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1359299426 FFHGCCNHOVLDOS-LJQANCHMSA-N 455.534 2.713 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1359328115 TYUGQYGSYNSPLE-PKOBYXMFSA-N 489.577 2.591 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Cl)cn2)C1 1359557199 FEIBYBNOKOROLL-FUHWJXTLSA-N 490.996 2.671 30 10 JFEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)ccc1F 1461441825 BXJUUMOAJDTYJN-UHFFFAOYSA-N 456.503 2.620 30 10 JFEE Cc1cc(C(=O)N2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)nn1-c1cccc(C#N)c1 1470032560 BNRVKOQAWGZKPO-UHFFFAOYSA-N 458.522 2.833 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 1475276136 KVPBBGXQZZHVIR-FRQCXROJSA-N 451.589 2.915 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1498487871 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1507736733 QSMDEGPVXHWACS-UHFFFAOYSA-N 471.565 2.561 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507790656 OEZWSLHSYWEYCI-RRFJBIMHSA-N 466.405 2.897 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507828652 LHXQQEFFDXUPSP-KRWDZBQOSA-N 463.604 2.646 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1507845237 YGDQUWLBKRQGFX-JTHBVZDNSA-N 487.670 2.874 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1507863107 CBVVQUXRYXYIRF-SFHVURJKSA-N 460.941 2.654 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1507868399 IWNSTMNJIQJXLG-HOIFWPIMSA-N 483.997 2.723 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1507981193 HCILRWMGUZHEFD-LJQANCHMSA-N 487.555 2.653 30 10 JFEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(Br)n1 1508041418 APXFSFPLVNRBPY-UHFFFAOYSA-N 460.380 2.984 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2ccsc2)CC1 1508074140 QSBYNUKXNIZQDN-UHFFFAOYSA-N 452.584 2.640 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508091340 KLGVVNQWGLVTPP-OAQYLSRUSA-N 495.584 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(N)=O)C1 1508134942 JCLIOAWXBWYCFJ-ZDUSSCGKSA-N 480.015 2.726 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1508141329 VGQUYLBBAUXLHT-IRLDBZIGSA-N 484.626 2.884 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1508143067 DEFNPSWJFNUBAN-UWJYYQICSA-N 457.600 2.812 30 10 JFEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)(F)F 1513970038 DHSUKJXSYMRLOQ-SFHVURJKSA-N 485.470 2.916 30 10 JFEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1516015519 GSKNSHFDTHBKBN-HXUWFJFHSA-N 467.574 2.539 30 10 JFEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1518674618 GCQLOHKFTKFQFA-UHFFFAOYSA-N 451.575 2.873 30 10 JFEE 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C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCN2CCCO)CC1 1539429680 BGOOIVMOHHRZNP-IRLDBZIGSA-N 487.048 2.674 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNC(=O)C(C)C)CC1 1539431915 WVKMPNXZYACSAP-JOCHJYFZSA-N 466.630 2.952 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1539510054 DKBZBLAMKNASHS-UHFFFAOYSA-N 476.610 2.801 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1539526997 YQGQUNUSWBLEKL-NRFANRHFSA-N 453.612 2.605 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539981766 LOKREGRLBNSHFB-MRXNPFEDSA-N 476.379 2.769 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1540868253 YAACANMQFKYZDJ-UHFFFAOYSA-N 450.543 2.642 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540876015 FLRIQGYJGXHTNB-KCYZZUKISA-N 459.513 2.655 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2c(C)noc2C)C1 1540886144 WLKMNYAXXQGTLR-IBGZPJMESA-N 471.583 2.977 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)CN2CCOCC2)C1 1540895985 CULHXKDJNXPQAW-GXRSIYKFSA-N 461.651 2.946 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1540912385 WUESQLDMKGZNOI-SFHVURJKSA-N 460.629 2.502 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1540917175 PFSFROVFSGPCDG-SFTDATJTSA-N 475.684 2.810 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2Br)cc1 1546301335 KJJSVYBPPXGYEJ-ZDUSSCGKSA-N 451.342 2.860 30 10 JFEE CCN(C)C(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ccccc2C#N)CC1 1547314741 DJRPRUBTJPXULJ-UHFFFAOYSA-N 458.570 2.715 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1547350796 FPMIRLDKSPBSFF-NRFANRHFSA-N 484.626 2.621 30 10 JFEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCO[C@@H](C)C2)c2ccccc2c1=O 1547737186 GMAXYVFLSJRJDL-PMACEKPBSA-N 492.628 2.772 30 10 JFEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2(O)CCCC2)c1 1555986191 FOUUNBCDKKDVHX-KRWDZBQOSA-N 462.476 2.627 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587579883 LDFWZMZGLODCSZ-XLIONFOSSA-N 474.556 2.947 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1587621066 NUPSCYHIOVSJHT-KRWDZBQOSA-N 461.570 2.740 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C)n(C)c1=O 1587633828 YVJBKPCSKCSSEJ-QGZVFWFLSA-N 468.602 2.906 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1587706211 NALWFQLNJSGHNJ-OALUTQOASA-N 452.559 2.834 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1587813605 RKTNHOSOTXRRMI-CQSZACIVSA-N 456.410 2.719 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588040350 LUGJMRRDFRIMKU-FQEVSTJZSA-N 492.045 2.874 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1588090158 SLETZOUAALTVST-AJTFRIOCSA-N 477.609 2.927 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)N2CCOCC2)CC1 1588876806 JYDPCWJIXJWIAL-UHFFFAOYSA-N 468.671 2.745 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1588984663 IRRNHVWRVWQUGE-SJLPKXTDSA-N 476.672 2.917 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1589088692 FQFASRYSXNZDMT-SFHVURJKSA-N 453.572 2.715 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1589172028 XVBAHPOSXMSTCR-CCLHPLFOSA-N 496.656 2.989 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589515467 NUOLXWKZXKZLPW-UNMCSNQZSA-N 484.626 2.658 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)OC)CC1 1594813128 OWWHWAISWDNEGK-LJQANCHMSA-N 492.621 2.874 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1594957336 ZWRCBSVDVXIIQQ-QZTJIDSGSA-N 467.636 2.840 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1594997386 DUJWZCSQESLPRL-UHFFFAOYSA-N 475.398 2.726 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595516182 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C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccnn2)CC1 1690230838 SEYDMDTYZRPIFV-UHFFFAOYSA-N 461.393 2.659 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1690310238 YDJAAKVIRVPSGS-KNQAVFIVSA-N 468.602 2.714 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCN2CCC[C@@H]2CO)CC1 1690367670 XJIABQPRRLQTAF-OAQYLSRUSA-N 473.643 2.742 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1690394533 CRRWQZYLPUTULP-SLFFLAALSA-N 488.633 2.843 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)COC(=O)N2)c1ccccc1 1690442151 NLJKAAXTHZOXCH-LJQANCHMSA-N 452.559 2.855 30 10 JFEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690475410 QOQPWSSOWQQNJI-UHFFFAOYSA-N 461.408 2.884 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C 1690581734 XQCATDLCWLRPCN-ACRUOGEOSA-N 479.691 2.883 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOC)CC1 1690661984 NGZNHAWLAXDNOV-UHFFFAOYSA-N 475.018 2.884 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690749868 RVDGDPUOSJSVDF-HDICACEKSA-N 476.647 2.623 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1690858968 HMJHEJQOFLNCCQ-GOSISDBHSA-N 497.600 2.558 30 10 JFEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1)NC(=O)OC(C)(C)C 1691582383 BMXHUOIAMHMBBB-IBGZPJMESA-N 467.574 2.692 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C1CCCCC1 1694126066 GCTCKWVYKNURHV-RTBURBONSA-N 479.633 2.959 30 10 JFEE CCOCc1ccccc1Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1696240425 AZTGAPPQHPPSOE-IBGZPJMESA-N 476.585 2.776 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@@H](C)O1 1697893116 DQKGOPNZXOWGGW-APWZRJJASA-N 466.508 2.941 30 10 JFEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cccc(C)n1 1698060486 GGFQJDHVOOGOLJ-UHFFFAOYSA-N 472.553 2.505 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)Cc1ccccc1 1705489690 UKMZCSXJQOAARB-IBGZPJMESA-N 465.627 2.828 30 10 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10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722360399 GVKHWCNXYSOZNE-NRFANRHFSA-N 472.659 2.567 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1722364395 GJSQSOTXSQJXDK-HXUWFJFHSA-N 463.003 2.742 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722368329 PXRMHYPZWKPOIQ-HXUWFJFHSA-N 465.579 2.663 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722371927 ZPDJPLVNQQIGOX-HXUWFJFHSA-N 472.636 2.852 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CN(CC)CC)c1 1722380478 NEEYIZHYEFGSAN-UHFFFAOYSA-N 458.566 2.969 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1722390423 CLMYIRZKQAYWGM-SDUSCBPUSA-N 456.587 2.510 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1722425214 QZHIYQPGRGRRCZ-XMMPIXPASA-N 452.628 2.960 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OC)C1 1722458082 WCRGAPZYDFOTEY-QGZVFWFLSA-N 452.584 2.657 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)C)CC1 1722461859 RFJVTJDFMJGRLN-HXUWFJFHSA-N 492.690 2.920 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1722492987 HTSQBVZBQZBLLO-FUHWJXTLSA-N 498.447 2.674 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC(N)=O 1722496191 VYJGTOUFNAXBAG-LBTNJELSSA-N 465.396 2.727 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1722505344 JYVHTTNVHUEFEX-HRAATJIYSA-N 465.558 2.538 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCCS(C)(=O)=O 1722507530 GBONWXQBBYOWMF-RXVVDRJESA-N 450.580 2.860 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1722517980 RGKNPGQOVLDRAS-OAQYLSRUSA-N 472.615 2.737 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)CC1 1722567613 FCSRLGJDUSOYDO-SFHVURJKSA-N 462.595 2.658 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1722585071 PZTNNYONRDMQIA-UHFFFAOYSA-N 465.396 2.933 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CCOCC2)CC1 1722621861 FLPXCGMFGHGHQX-UHFFFAOYSA-N 493.450 2.940 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722637408 IFHACPIQKMYRQN-OAHLLOKOSA-N 463.608 2.774 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCNS(=O)(=O)CC)C1 1722717026 BRJJREIVWOJQSV-QGZVFWFLSA-N 498.447 2.737 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722735162 NSAZQUSIBFKLDP-OAHLLOKOSA-N 465.421 2.776 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)(F)C(F)F)CC1 1722769625 AWPAQIPDYLJMHX-UHFFFAOYSA-N 468.455 2.792 30 10 JFEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)CN2CCOCC2)n(C)n1 1725868801 IAARTECWXWTIRY-UHFFFAOYSA-N 492.628 2.614 30 10 JFEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1740574969 NIRMMHYSNQQGKZ-GOTSBHOMSA-N 477.657 2.694 30 10 JFEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740584688 IRKFLYQWAMZPNZ-QFIPXVFZSA-N 462.598 2.504 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740628352 XGQBTGCRFMWTAO-RDJZCZTQSA-N 486.491 2.615 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740632577 UDXIUDWFANGKGQ-PKOBYXMFSA-N 476.002 2.568 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1740649511 VUVJFMOVAHYJNM-HNNXBMFYSA-N 451.424 2.699 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1740663556 MFROARHDGKZIPP-VWLOTQADSA-N 471.577 2.802 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)CC=C)CC1 1740698815 WSUDROVARQSOPN-UHFFFAOYSA-N 470.643 2.553 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCCC2(C)C)CC1 1740699978 AZKCKYRGHAYAKY-VQTJNVASSA-N 472.634 2.920 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)c2ccccc2)CC1 1740706864 GJWYFTDVTNXWPV-NRFANRHFSA-N 471.609 2.755 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)CC1 1740706897 HRABBDFMVYJHEE-UHFFFAOYSA-N 480.613 2.668 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2C[C@@H]2C)CC1 1740708063 ZVSLZHHXSCAGAU-IHPCNDPISA-N 470.618 2.972 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCOCC2)C1 1740710948 FIAZSADKOCUJQJ-UHFFFAOYSA-N 489.667 2.569 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCS(C)(=O)=O 1740738171 GFJKOHFDLCGSDR-UHFFFAOYSA-N 481.214 2.815 30 10 JFEE C=C(Br)Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@]1(OCC)CCOC1 1740748107 AAROERJXLRYSDN-KRWDZBQOSA-N 459.776 2.862 30 10 JFEE C=C(Cl)Cn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OC(C)C)CCOC1 1740815561 CXRYWPOOKYHMSN-KKSFZXQISA-N 484.022 2.916 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccn(C)n1 1740914367 QAAQYXMILHCHAW-UHFFFAOYSA-N 453.510 2.771 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(CC)(CC)C1 1740953292 ASPMJJSMRPGYPO-UHFFFAOYSA-N 477.656 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740988732 NYAXABSCXSNOIX-UHFFFAOYSA-N 492.005 2.844 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740994651 RKTASNFDDAUVPN-ZIAGYGMSSA-N 491.561 2.505 30 10 JFEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 1741623466 GXVBCZUVRPTLSI-ICSRJNTNSA-N 458.632 2.806 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)SC)c1 1748691233 BAYUZDVSPQKQAP-HXOBKFHXSA-N 457.600 2.738 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748815379 QARJFMANWHNCIN-SGNDLWITSA-N 499.681 2.664 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748815630 SHUACBPQZIBBJM-FGZHOGPDSA-N 499.637 2.933 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N1CCN(CC)CC1 1748834760 VYORUTQVOVRFQP-IBGZPJMESA-N 455.006 2.706 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCNS(C)(=O)=O 1748873137 MIZNPQSFVYNPEX-UHFFFAOYSA-N 471.583 2.825 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2ccc(Cl)nc2)n1 1748970484 GJLLEHMIMXTQHE-UHFFFAOYSA-N 462.945 2.920 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1748999357 RLJFPCWFMFLXIY-UHFFFAOYSA-N 478.641 2.878 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1749006644 WCOFUKWZTXJGNO-RDPSFJRHSA-N 493.608 2.909 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCCC2(C)C)CC1 1749011082 UCJORWSWPCNMHO-AREMUKBSSA-N 460.582 2.724 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749023915 ZVCIBYXJQSJMIV-APWZRJJASA-N 466.604 2.937 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOCC1 1749056430 HPGRKYZXEYIOHG-OAQYLSRUSA-N 461.408 2.761 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1749064769 JDSHVQVNDSQABE-HRAATJIYSA-N 462.476 2.800 30 10 JFEE C=C(Cl)Cn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1[C@]1(OCC)CCOC1 1749285034 SXVWUPCSRYOVNV-NRFANRHFSA-N 462.938 2.918 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc3C2)CC1 1749328711 AVWIYWIUQFFFML-IBGZPJMESA-N 472.659 2.739 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1749431184 XNWAOXYPVDDEKC-IBGZPJMESA-N 484.605 2.669 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C 1749530177 UHLPABPHMWUOIM-IQGLISFBSA-N 473.537 2.530 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749605995 GBBPEPNXNDMYQR-VWLOTQADSA-N 494.621 2.937 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C)ccc2C)CC1 1749729320 GVQZEVKFJCCBOK-UHFFFAOYSA-N 468.627 2.828 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1749755560 JKKLWMHXXIHVFY-SFHVURJKSA-N 495.646 2.895 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760115205 ARYXZCXBEVBGBM-RXVVDRJESA-N 457.022 2.923 30 10 JFEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 1760138221 TZZOZQNGCDVAIV-SFTDATJTSA-N 472.634 2.717 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCN1c2ccccc2C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760184088 VEZCVQAHKYWRIA-ICSRJNTNSA-N 455.628 2.654 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCC(F)(F)F 1760191829 ACHCRNFHUYMIPL-UHFFFAOYSA-N 459.472 2.885 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(NC(C)=O)nc1 1760244440 VPUHNIKZQDPNHI-UHFFFAOYSA-N 486.374 2.534 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC=CCC2)CC1 1760265540 DGVJAFNZSPIEQF-CJFMBICVSA-N 455.603 2.641 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCCCC2)CC1 1760270632 SZHIHPJKHOYHBG-UHFFFAOYSA-N 453.562 2.669 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760313629 PNOJGLZKYHUMGD-YYWHXJBOSA-N 499.591 2.937 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760356298 KHRBNAYYSIEGOR-OALUTQOASA-N 490.605 2.626 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760524553 ATNCMYZZAORUJD-UHFFFAOYSA-N 486.567 2.678 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 1760532188 NQVSMUSMQVMTAV-UHFFFAOYSA-N 475.553 2.597 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCOC[C@@H]2OC)C1 1760536106 CJHCMIDZXSYFTK-WDYCEAGBSA-N 480.407 2.879 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1760544710 FUDOLBNUSZSCCY-SFHVURJKSA-N 454.531 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1760548731 NVWXMGAYEONRMB-VGSWGCGISA-N 497.017 2.668 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760555899 QENQBVXIUZQHNY-AEFFLSMTSA-N 485.626 2.788 30 10 JFEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(F)(F)F)CC1=O 1769877111 HKEBQRMMWVPQKO-INIZCTEOSA-N 450.465 2.700 30 10 JFEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 1770279311 HAUKUTXPAFDWQD-QHCPKHFHSA-N 495.628 2.548 30 10 JFEE COc1cccc(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCC(CC#N)CC3)CC2)c1 1770312545 IACQDMFSMBGNOC-KRWDZBQOSA-N 472.615 2.759 30 10 JFEE 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C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1359036709 GEXUADFISBRJNU-NRFANRHFSA-N 479.629 2.666 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(O)(CC)CC)CC1 1359046892 JTYZCHZIGOJDPS-UHFFFAOYSA-N 453.587 2.682 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1359065751 AFWHMXCHZSLSFH-IQGLISFBSA-N 469.586 2.684 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1359093497 OIXJRSGLPUBIRP-LZJOCLMNSA-N 456.543 2.943 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359098335 ABPODNARWZNNNO-DHLKQENFSA-N 472.678 2.982 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(Br)C1 1359098675 DRJDYTWKMVKHAY-INMHGKMJSA-N 471.421 2.650 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)(C)C)nc1 1359107857 WVGUOAFDYGFENW-MRXNPFEDSA-N 450.609 2.911 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@@H](C)C2)CC1 1359174190 XRSSGWCYRTUROK-MOPGFXCFSA-N 452.669 2.803 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359284988 YBMGUUDACNRTAB-UHFFFAOYSA-N 459.392 2.638 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359309533 VIOHILXVYQDPAF-NRFANRHFSA-N 480.613 2.868 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)CCc3ccccc3)CC2)nnc1C(C)(C)C 1359335708 SJOHSHRZNHJPEC-UHFFFAOYSA-N 487.670 2.848 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCCS2(=O)=O)C1 1360783146 DMXIVSSMPVIJAT-FQEVSTJZSA-N 493.431 2.873 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)CC1 1448357872 RGATZFXOQZBNQO-UHFFFAOYSA-N 457.571 2.511 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)=NO2)C1 1463869879 CNFOHYHKBGQLGS-QHCPKHFHSA-N 457.506 2.502 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 1465398625 FJXXSPSQULBGDG-IBGZPJMESA-N 452.515 2.748 30 10 JFEE C=CCN(C(=O)CN1CCO[C@@H](C(N)=O)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1473131035 MINYHILLTXZSGO-MRXNPFEDSA-N 455.367 2.822 30 10 JFEE C[C@@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1494517473 DULCMQXCVBDJQC-FOIQADDNSA-N 480.386 2.979 30 10 JFEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2CN2CCC(O)CC2)CCOC1 1502626642 ABZYMMKWBYRCRO-FQRUVTKNSA-N 482.629 2.531 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)C1 1505311704 GEVMORYNLBDDNI-IBGZPJMESA-N 460.395 2.829 30 10 JFEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507564725 VVKLOWXFIDPTGT-SIKLNZKXSA-N 487.626 2.702 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1507634665 OYYSQLYBSSZJEM-SFHVURJKSA-N 473.961 2.731 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C 1507653396 OEWQKFRTRRHUDW-AREMUKBSSA-N 473.581 2.642 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507660093 LXSYGMXKFVHOLF-RBUKOAKNSA-N 490.029 2.816 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N1CCSCC1 1507679830 ROPXUTYROVHTBX-KRWDZBQOSA-N 498.074 2.910 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccco1 1507702961 POMCEMPUACYANP-UHFFFAOYSA-N 475.528 2.942 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)NC(C)C)CC1 1507740596 NYLATUNPHGZZGX-UHFFFAOYSA-N 494.640 2.779 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1507802843 CXKISDKGRVYSJF-KPLVRAHFSA-N 460.648 2.772 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1507804811 KTRXJXDVZWHIKO-LMQGHGSNSA-N 493.605 2.587 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(=O)NC2CC2)CC1 1507885420 ZVDBXAXLEFTGSL-LJQANCHMSA-N 474.606 2.802 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1507896538 KMWZQTAERQNRJF-INIZCTEOSA-N 473.578 2.664 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O 1508007317 ABQPBHIFULNLLI-LJQANCHMSA-N 472.640 2.942 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1508095080 SCRYIRRCKOBNBF-UHFFFAOYSA-N 465.023 2.877 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1508103449 DELGZIFCQFQGMJ-YLJYHZDGSA-N 499.641 2.749 30 10 JFEE CC(=O)N1CCC(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1508197914 GMDQZJQVPTYVDE-YLJYHZDGSA-N 489.621 2.583 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCCS(=O)(=O)c2ccccc2)C1 1510284101 FJOFRRMJQWZFGY-JOCHJYFZSA-N 451.556 2.729 30 10 JFEE CO[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1517793840 AHKQGHSVGMHTKV-QHCPKHFHSA-N 479.629 2.769 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCC2(O)CCOCC2)c1 1539046131 NQAVZIRKNBINGJ-UHFFFAOYSA-N 479.606 2.918 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539218854 FFERWLAAQXHUBD-WPYKKVEZSA-N 472.586 2.616 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1539225575 OYMXIITUQQQBBQ-JOCHJYFZSA-N 456.612 2.832 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1539238211 SMLMMGGKOGHUPN-MHZLTWQESA-N 483.657 2.674 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1539305362 YKQCARNPLBWQAY-UNMCSNQZSA-N 454.596 2.873 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CCOCC1 1539409004 LIFHRFOKOQEJIF-UHFFFAOYSA-N 464.570 2.749 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539434912 XRTLUWVWJXNCEX-LJQANCHMSA-N 498.628 2.973 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(Br)ccc2OC)CC1 1539444846 WADNDGGHWBNQMY-UHFFFAOYSA-N 455.360 2.848 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539594151 FSWISOZDWKNLJU-QGZVFWFLSA-N 458.364 2.967 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1539595207 BUBDKJDOIYBGME-DLBZAZTESA-N 454.413 2.770 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539599721 CLMGOFIGSAUPLN-LJQANCHMSA-N 452.303 2.772 30 10 JFEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1539700044 LTGDJWQCONIUNT-INIZCTEOSA-N 481.557 2.900 30 10 JFEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539954856 GUGMWSVZHMGWNH-UHFFFAOYSA-N 456.554 2.994 30 10 JFEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540880440 GWCMQQCRQLUALJ-UHFFFAOYSA-N 461.632 2.950 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cccc(Cl)c2)C1 1540895791 ZQHMFAPTETUTDP-XXBNENTESA-N 459.978 2.743 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1587822889 DZEXMWRIUNPOBA-LJQANCHMSA-N 471.627 2.751 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588050732 VAKQUFFNVMRHHW-QHAWAJNXSA-N 472.659 2.658 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1588064763 OWOVZCNJXYHNQK-JOCHJYFZSA-N 479.606 2.728 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCN(CC)CC1 1588385529 IJTTZPFOTVOQLN-NFBKMPQASA-N 452.603 2.524 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1589151102 RHQFPCLAXFJBBH-DKZVUGQWSA-N 479.050 2.837 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1589216542 RAHGQCWYNRXWFP-OPAMFIHVSA-N 469.533 2.860 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1589305331 QJCPGAIKOFYYQI-LBPRGKRZSA-N 456.142 2.683 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589567513 DQFCDSRNXSOSHJ-VNZMSGEBSA-N 464.570 2.767 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1593746690 LBHWYCVCRMPXMF-YADHBBJMSA-N 479.691 2.721 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC1 1594167571 DXDCLZBMTNMFKN-UHFFFAOYSA-N 452.603 2.699 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2cncn2)nc1 1595184866 DYDDYNFJFGDWIU-UHFFFAOYSA-N 476.566 2.551 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1595490771 ZSPPNSZILIGSNF-UHFFFAOYSA-N 455.925 2.761 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1595788693 HDTDXHQPWZSTRW-UHFFFAOYSA-N 468.583 2.729 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1595789605 XUTYPWPTKQMWBR-MSOLQXFVSA-N 484.626 2.758 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1606951515 FVQUHTSHPGFUDS-FQEVSTJZSA-N 469.615 2.864 30 10 JFEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 1613004119 HINURZLOKNWEST-AWEZNQCLSA-N 458.448 2.963 30 10 JFEE C=CCNc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NCCN3CCOCC3)[C@H](O)[C@@H]1[C@@H]2C 1614588942 NRHKLRSDQIMMSS-AWWVRVPQSA-N 476.687 2.879 30 10 JFEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCn2ccnc2C)c2ccccc2c1=O 1615898595 HUOKKIARIBREPC-KRWDZBQOSA-N 459.558 2.866 30 10 JFEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 1617764802 ACUPFEJPIMORLI-KRWDZBQOSA-N 450.923 2.635 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1617869561 BTVCRMYJDZQTOX-OAQYLSRUSA-N 456.616 2.564 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1618826366 BACHOQZCMOQHLQ-UHFFFAOYSA-N 470.459 2.740 30 10 JFEE CC[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)Oc1cccc(C)c1 1629717980 FZVLFBAVDNWTPS-FQEVSTJZSA-N 456.568 2.740 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](N3CCOCC3)C2)n(Cc2ccc(F)cc2)c1C 1645749059 BFHIZXCZBLDKTQ-QFIPXVFZSA-N 453.562 2.899 30 10 JFEE Cc1nc(C#N)c(N2CCN(C(=O)CN(Cc3ccccc3)[C@@H](CO)c3ccccc3)CC2)o1 1648041015 HYVRIMOKIGXMAO-DEOSSOPVSA-N 459.550 2.739 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OCC(F)(F)F)nc1 1649538342 BYVOCFYHMXKXAT-QRWLVFNGSA-N 453.465 2.773 30 10 JFEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1686939364 IFMIMNPPUDFAIC-UHFFFAOYSA-N 452.758 2.626 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1689831006 FHDFUTKRROVJSM-OSPHWJPCSA-N 458.559 2.851 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(SC)CCN(C)CC2)c1 1689870259 IERBNLNCLQRNLU-UHFFFAOYSA-N 492.653 2.562 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689980018 KIMMJTPKXKUFLG-BAGYTPMASA-N 456.612 2.873 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1690139797 AIIMGQBKNTZATP-GHTZIAJQSA-N 481.597 2.601 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690165941 ONRFFMDFSRWXNL-UHFFFAOYSA-N 453.547 2.576 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1690244554 YVNQLOAIVOKOKP-JXFKEZNVSA-N 463.579 2.583 30 10 JFEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1690445411 XDAUOHGCBOMKNV-QHCPKHFHSA-N 460.582 2.919 30 10 JFEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690476608 JGCIDTWSBKEGDP-XMMPIXPASA-N 468.558 2.743 30 10 JFEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690649817 XBWHIFXWEZVURU-GOSISDBHSA-N 464.574 2.873 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCOC2)C1 1690663743 DPRSQLHLOCJYDE-OAQYLSRUSA-N 460.376 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1690722953 CAZDFQGJHSZDGN-LJAQVGFWSA-N 450.630 2.910 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C1CCC(NC(C)=O)CC1 1690726546 DBROOQBDVBJKHT-UHFFFAOYSA-N 498.653 2.765 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1691002990 AFBCMDYRBBXROX-VXGBXAGGSA-N 458.407 2.648 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3Cc3c(C)noc3C)CC2)c1C#N 1693406071 HQLUIQFXGJMNCO-UHFFFAOYSA-N 451.579 2.760 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCCc2ccccc2)n1CCC(C)(C)O 1693745997 HPFAXCHNROSORN-HXUWFJFHSA-N 474.613 2.991 30 10 JFEE Cn1ccc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)n1 1696863042 CQRHEXRHQUXXBY-JTSKRJEESA-N 458.542 2.768 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCc2cnn(C)n2)c1 1705505089 IDWGEUDTRAFBRV-UHFFFAOYSA-N 458.526 2.664 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705559258 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1705905288 PXDUVHDXGKPALH-FQEVSTJZSA-N 466.630 2.857 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1705907601 RGYQATHZCISQIU-JOCHJYFZSA-N 463.586 2.582 30 10 JFEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)cc1 1705911394 GUNWETAADYKZIE-XMMPIXPASA-N 468.646 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705936127 KLYACGTXCOKLBD-GOSISDBHSA-N 465.664 2.915 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 1705938735 IEVXFDTYFHDYGT-WOJBJXKFSA-N 468.664 2.786 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1705938945 NPTVJOKHEHYZLV-HXUWFJFHSA-N 491.570 2.686 30 10 JFEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1C 1707544178 CULNWZQMYFITSJ-DEOSSOPVSA-N 466.586 2.886 30 10 JFEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC[S@@](=O)C(C)(C)C 1710723781 CYYSYJVISOCLEA-MGBGTMOVSA-N 472.659 2.946 30 10 JFEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 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1722519368 CUUQRQMJIBJZTL-UHFFFAOYSA-N 465.558 2.972 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722532003 YYJVMYBOHKRTCZ-UHFFFAOYSA-N 470.593 2.811 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722585326 WREXQBVKQKHHHO-UHFFFAOYSA-N 482.629 2.537 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722592575 WKYMXWQKQLCNFG-SFHVURJKSA-N 459.595 2.974 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1722617870 NJBKKXSWEBWGNN-IBGZPJMESA-N 472.615 2.705 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCOC1 1722656123 WGZGCSVDQOYUHH-LOSJGSFVSA-N 467.570 2.534 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(O)CCOCC1 1722677986 QUKGFSNDLFERNI-UHFFFAOYSA-N 451.365 2.888 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722695508 GAQADEOYDDIYOL-KRWDZBQOSA-N 459.978 2.923 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1722861092 BOHSVJCOMLVVJG-ZWKOTPCHSA-N 459.595 2.757 30 10 JFEE CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1729101511 BCZGOFUSBLHZIL-AUSIDOKSSA-N 457.600 2.850 30 10 JFEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1731002219 DKLDCOGITUIISV-ROUUACIJSA-N 461.563 2.880 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1ccco1)N1CCCC1 1740602111 DZWSOKSHCCSTPJ-OAQYLSRUSA-N 482.610 2.695 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OCC(F)(F)F 1740602782 VDOYIFQITWGOSM-UHFFFAOYSA-N 479.484 2.802 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1740621639 YBIFZWIGSCZXHA-GOSISDBHSA-N 495.634 2.641 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740624884 LAEAMGOVMKITRF-NHCUHLMSSA-N 473.618 2.509 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740626964 OAHWEUWUIJMOFL-PKTZIBPZSA-N 485.654 2.669 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1740660322 NKOZFMJPVMOFLL-QGZVFWFLSA-N 455.563 2.888 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1740697124 SHRKPDPQRCVQIY-KRWDZBQOSA-N 482.501 2.787 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nccn2C(F)F)CC1 1740699498 JFVYNWGAPXZVSL-UHFFFAOYSA-N 461.904 2.906 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(=O)C(C)C)CC1 1740738981 OETXQZCJTHXNBX-MRXNPFEDSA-N 458.401 2.605 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740742843 CYRFMSGPMQGPLO-UHFFFAOYSA-N 488.434 2.692 30 10 JFEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740861392 LKCHEDZXCNVQFI-UHFFFAOYSA-N 467.599 2.743 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1740918520 QPLYRLGLRWUQMG-IBGZPJMESA-N 469.615 2.768 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1740923036 BTIMEOKIXAEHIT-GOSISDBHSA-N 490.630 2.929 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1740924655 YYUPBRHXDJUMAL-UHFFFAOYSA-N 465.627 2.682 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C1 1740974812 PSCWLWJJANAEKG-LJQANCHMSA-N 470.599 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@H](C)C1 1740986630 CJPUMKJZSTYYLJ-KRWDZBQOSA-N 494.687 2.774 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740988482 GIQSBTNIWPCMAG-QGZVFWFLSA-N 496.008 2.930 30 10 JFEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cccs1 1741290418 DWJMNDGTZHQHOH-UHFFFAOYSA-N 465.583 2.517 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCOc1ccc(Cl)cn1 1741682200 BLZRCEBHSJVLDN-FQEVSTJZSA-N 495.971 2.993 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](Cc1ccccc1)OC 1748790099 SQKSYFDXCPHQGR-NHCUHLMSSA-N 469.586 2.914 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@H]1C(C)C 1748795132 YRLWMFVZGVNCKG-RDGATRHJSA-N 450.631 2.773 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1748804009 CADXUBDMDKEXBB-DENIHFKCSA-N 466.611 2.711 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748819613 QDUZNFVZRVNFGX-UXHICEINSA-N 460.987 2.842 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)C(=O)OC(C)(C)C 1748951296 XDYIOXBMMGTIDJ-UHFFFAOYSA-N 481.395 2.989 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 1748970830 USLJREZAKDTEQJ-UHFFFAOYSA-N 494.600 2.623 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749106587 FMGYZPQRWHOJEW-UHFFFAOYSA-N 465.359 2.766 30 10 JFEE C=C(C)Cn1c(N2CCN(CC(=O)Nc3ccccc3CC)CC2)nnc1[C@@]1(OCC)CCOC1 1749208740 BOJXKBNPODJDHQ-AREMUKBSSA-N 482.629 2.829 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1749225635 HTSCWWIUHNSTMN-GOSISDBHSA-N 490.967 2.577 30 10 JFEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1749261953 DKDAAGSNQIJTTG-UHFFFAOYSA-N 469.977 2.862 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1cn(C2COC2)nn1 1749595642 CUOYOASHKNHZMB-UHFFFAOYSA-N 474.363 2.558 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749608087 JWYNMFSBIDIGAH-UHFFFAOYSA-N 475.619 2.647 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CN(C)C(C)C)CC1 1749651871 AQSXAUCOVVOSPH-UHFFFAOYSA-N 492.466 2.905 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCSCC3)cc2)C1 1749694326 QWZOBQOLUQCNMJ-OAQYLSRUSA-N 470.643 2.799 30 10 JFEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749760675 KLTKNZUJCSIFDV-XMMPIXPASA-N 484.626 2.899 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C(C)C)N2CCCC2)c1 1760128395 GZZQBMUWVNNCRJ-GGAORHGYSA-N 464.614 2.959 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1760129684 VPFUDYTVJKQFGC-UHFFFAOYSA-N 454.550 2.758 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1760232491 GXDBRWHHCPYDLW-LJQANCHMSA-N 461.570 2.610 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1507733696 IPIHNHLHDZTAME-QFIPXVFZSA-N 458.651 2.504 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2Cc3ccccc3C2)CC1 1507734349 VYBXWVZIWKPEOP-UHFFFAOYSA-N 490.652 2.967 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccoc1 1507749749 ZJLDQVHTCYXIHN-UHFFFAOYSA-N 459.597 2.791 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnccc1OC 1507763729 BYTMMIVFUWHRAO-XMMPIXPASA-N 480.594 2.639 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1507791738 RECHFDZRTCIOSQ-AZUAARDMSA-N 471.581 2.648 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC(OCC)C1 1507817148 NSCOUVUIDIUZAT-UHFFFAOYSA-N 462.620 2.571 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(=O)N(C)C)c1 1507817302 PGFOIZDLMXVXDU-UHFFFAOYSA-N 480.569 2.924 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1507843960 ZHKJYDFCZHISBK-YLJYHZDGSA-N 452.559 2.646 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1508088086 REVCOIPJXMVDPC-UHFFFAOYSA-N 497.962 2.706 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1508143317 XXBIKIQSDJEWIW-VXKWHMMOSA-N 474.627 2.959 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1508148622 VQRHMZVDBUPLJV-OAQYLSRUSA-N 459.616 2.967 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1510248517 DSFDPFUCMMSPKE-SGTLLEGYSA-N 458.391 2.678 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccn3)n2CCCS(=O)(=O)Cc2ccccc2)C1 1521062663 GXBPYABKHKJTJQ-QFIPXVFZSA-N 454.531 2.787 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)nnc1-c1ccco1 1525488045 UWMGBWICUMTVFA-ZWKOTPCHSA-N 451.552 2.934 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCCS(C)(=O)=O 1538984997 UYIFVRNGLQBUEE-HOTGVXAUSA-N 450.630 2.651 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OC)nc1OC 1539200636 MTXUWBUDGXIORB-CALCHBBNSA-N 456.547 2.579 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[S@](=O)CC)CC1 1539430974 QEWFIHDFDMQASF-NOVUIFNWSA-N 450.008 2.595 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOC)CCCC2)CC1 1539488552 LUXNMVFEPBTVGE-UHFFFAOYSA-N 481.645 2.702 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539499669 NXYACJICTLXTQL-QFIPXVFZSA-N 467.555 2.705 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1539506821 YJUHIKKMSAPRFX-IBGZPJMESA-N 468.627 2.902 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539636113 JCFFJHIVVMVZLP-JUXOCIIHSA-N 462.616 2.728 30 10 JFEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539688972 YMOFYLUONLAGHT-INIZCTEOSA-N 477.338 2.896 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(=O)N2CCOCC2)CC1 1539882018 CTNRAZMFKCYPLG-UHFFFAOYSA-N 490.402 2.977 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1540005797 ONXCNANWIYTVAP-SFHVURJKSA-N 478.594 2.831 30 10 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30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587651876 SOIQKMUUTRSSDV-GOSISDBHSA-N 464.570 2.590 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588035385 SZOGYOSDPHLPKP-CVDCTZTESA-N 466.648 2.628 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(NC(=O)OC)c1 1588090319 VRJAATAOHSHEGF-XMMPIXPASA-N 451.527 2.618 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1CCOCC1 1588432651 FZKWHWCFGYMTMV-UHFFFAOYSA-N 450.631 2.919 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(F)cccc2Cl)CC1 1588890700 DSBLPRJPTUJFKG-XMMPIXPASA-N 489.979 2.737 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCO2)CC1 1588961622 GOFRBFYCDRIOFA-OAQYLSRUSA-N 451.571 2.619 30 10 JFEE C=C(Br)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1589460546 SIWPURGEXYPMFC-LRAJWGHMSA-N 495.422 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1589493514 HSTWBTAVWJJYFQ-CZAYHTPWSA-N 489.642 2.756 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1593817507 DYBCZDWZACINNH-GOSISDBHSA-N 484.022 2.574 30 10 JFEE C=CCCCn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1594774339 JVCMBPOIWNAWKK-MHECFPHRSA-N 458.559 2.967 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1595507034 UKCBTGXCLJMUKO-LJQANCHMSA-N 452.946 2.744 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1595577660 ZZMYGDQWNBZNCL-HKUYNNGSSA-N 464.595 2.954 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1595831814 WUCSEFHSVODBHW-KNQAVFIVSA-N 481.018 2.568 30 10 JFEE C=CCOCCNC(=O)c1cc(I)cc(I)c1 1618654560 NFFVAVYAOUYKJD-UHFFFAOYSA-N 457.049 2.828 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1 1622633192 IGBVZACJOVUQMH-FUHWJXTLSA-N 451.589 2.774 30 10 JFEE CCOC(=O)c1c(NC(=O)N[C@H](Cn2ccnc2)c2ccccc2)c(C#N)cn1CCOC 1623545191 FSUNBVSRXRMVBQ-LJQANCHMSA-N 450.499 2.942 30 10 JFEE C#CCN(C(=O)NCCn1cc(Br)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1635112901 BGAPJBMMAQSNIP-UHFFFAOYSA-N 454.369 2.690 30 10 JFEE C[C@](Cc1nc2ccccc2s1)(C(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1 1641033759 HAYLDOUCLNYVLI-XMMPIXPASA-N 459.531 2.747 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@](CO)(NC(=O)OC(C)(C)C)C3)n[nH]2)c1C 1648118929 HXHKAWFLTNRAGX-HSZRJFAPSA-N 458.563 2.568 30 10 JFEE COc1cccc([C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc2Cl)c1 1677735777 BYXNSQDAFZBLQM-IBGZPJMESA-N 453.886 2.571 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCN1CCC 1689834898 BIOMTECGHQTOGP-TZIWHRDSSA-N 472.659 2.918 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 1689852587 HTXQMTTXUOGBPV-RBUKOAKNSA-N 488.633 2.693 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1689863255 PZBQVXXLZPXJSJ-XLIONFOSSA-N 476.503 2.840 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1689972627 VUTDOBCQVNOLRA-NRFANRHFSA-N 478.622 2.721 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689993771 LBLHCKAYDYSMCR-FQEVSTJZSA-N 485.635 2.512 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N(C)C1CC1 1690017900 OFGVQQXPYPFGBV-LJQANCHMSA-N 454.619 2.948 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1690045961 UOVVTKVITJMHHU-RCZVLFRGSA-N 461.610 2.904 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690088800 XBOKSJOUIGPTLE-LJQANCHMSA-N 471.558 2.907 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC2CCOCC2)CC1 1690139508 PRWYNUFVXQOFJG-UHFFFAOYSA-N 451.571 2.736 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC1CCOCC1 1690170464 JQMZCRIWPHCNFH-UHFFFAOYSA-N 466.611 2.811 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690236555 OHRNSTSFCVSZKR-ONTIZHBOSA-N 458.651 2.952 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1690251839 ZRZHXXCNSZMNDR-WMZHIEFXSA-N 474.627 2.894 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1690265005 IIXMFMMVAMRHNH-JOCHJYFZSA-N 473.643 2.819 30 10 JFEE C=C(C)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690297885 KPWWPLSWVCJOKT-JKSBSHDWSA-N 465.620 2.640 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1690557985 AUMZDOKDNMBIFH-UHFFFAOYSA-N 477.613 2.689 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690644564 SXHDWAXJUKBJJO-SFHVURJKSA-N 456.547 2.508 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1690662782 DFEDLBLRAOSYGB-SFHVURJKSA-N 472.659 2.735 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2cnn(C)c2)cc1 1690680681 YMQLWWADGXRNEA-HXUWFJFHSA-N 470.599 2.553 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CSCCS2)C1 1690688677 ZECZHKCBIJSRDX-DBXWQHBBSA-N 454.662 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 1690729338 MHNOMYJMPXUARE-UHFFFAOYSA-N 458.588 2.676 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1690742730 ZELKVQBCXJTKHQ-IAGOWNOFSA-N 474.635 2.538 30 10 JFEE CC(C)CCOC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1692383076 CDCJAXAIVARRHU-UHFFFAOYSA-N 496.612 2.619 30 10 JFEE CC(C)NC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1692597798 GDHZOJNZFIHLPB-HXUWFJFHSA-N 454.575 2.798 30 10 JFEE CC(C)OCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1692614726 DBJKPRORSXHDEQ-UHFFFAOYSA-N 474.569 2.544 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1)C(F)(F)F 1692757574 AICYLEHRHUGFNL-INIZCTEOSA-N 496.559 2.714 30 10 JFEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1696183400 AKUADMQZEPTGEJ-OBXNSHGQSA-N 473.599 2.557 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1CCS(=O)(=O)CC1 1705483533 XCCNCIDAKOMHNB-AWEZNQCLSA-N 451.390 2.990 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OCC(F)(F)F)c1 1705485862 QVWVCQMOFXHLFX-HNNXBMFYSA-N 483.458 2.763 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705565831 WURLYQYPEUACQF-VSKRKVRLSA-N 484.670 2.725 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1705570486 QHYPYHHYPLAYGA-LJQANCHMSA-N 486.619 2.623 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1705579375 KIRFRRLTXZPMFL-JOCHJYFZSA-N 457.626 2.783 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1705641357 CAPLMXCSRWAFTJ-UHFFFAOYSA-N 483.663 2.691 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=C)Br)CC1 1705650487 RPUNIXFPDRNHCV-UHFFFAOYSA-N 486.414 2.946 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCC[C@@H]2C)CC1 1705651262 PNEUZJPULMFMAQ-NRFANRHFSA-N 464.614 2.616 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1705658823 BTTHSYGMVDUUNX-KURKYZTESA-N 476.647 2.725 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705701881 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2.838 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1300990435 DOMASWBYQDTYTA-MRXNPFEDSA-N 474.562 2.702 30 10 JFEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1301079383 FSPAEGGHOPBDEV-UHFFFAOYSA-N 475.475 2.510 30 10 JFEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCOC)CC1 1301222966 KGFFGKZQIWVYMF-NRFANRHFSA-N 455.559 2.736 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(-c2ccccc2)n1 1301297707 TWDSYEQPTSTLBL-LJQANCHMSA-N 480.573 2.838 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1301399669 RMQXYVREGBDAPL-UHFFFAOYSA-N 466.630 2.860 30 10 JFEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1301469620 DETPOAYELZTRLR-PZJWPPBQSA-N 470.593 2.999 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301492269 CLSMNOBBHGVJKQ-PKOBYXMFSA-N 484.601 2.995 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301493200 WHFIGYCGYYSLAD-UHFFFAOYSA-N 485.976 2.956 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1Br 1301579587 XCYMHVNHQVUQQQ-UHFFFAOYSA-N 479.404 2.678 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 1301773628 GFDABJKTTCPKPP-UHFFFAOYSA-N 497.625 2.561 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(N(CC)CC)nc2)CCOC1 1314111708 FCDFBKFWWMDKEX-DHIUTWEWSA-N 457.554 2.662 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 1358929979 LQTNYYVJQXRTQS-HXUWFJFHSA-N 481.601 2.722 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(C)OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1358955469 MPEOFQVUQTYNOS-OPAMFIHVSA-N 462.641 2.752 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1358963270 FJAJARASFBEWRD-KSZLIROESA-N 456.559 2.624 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1358983592 OIGKPYAXLPMXLF-SFHVURJKSA-N 466.590 2.818 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1358993595 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C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359291896 DPSKGJIUHNUQHP-YTFSRNRJSA-N 496.656 2.884 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(CC)C(=O)OC(C)(C)C)C1 1359312329 RZCFREZBIOCGEV-SFHVURJKSA-N 485.589 2.964 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)S[C@H](C)C1 1359335286 HHVJCMOOOABBPJ-HZPDHXFCSA-N 454.593 2.927 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 1359386690 KSBOLMUJFMTJLA-SJORKVTESA-N 467.574 2.787 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccncc2)C1 1359556955 ACDKZMHQRDHLFB-VQTJNVASSA-N 467.574 2.759 30 10 JFEE CC(C)(O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359601666 FHLVVIAQWNVKRT-UHFFFAOYSA-N 465.533 2.750 30 10 JFEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 1359747487 CMFWWHUVUICKEC-PKTZIBPZSA-N 479.629 2.621 30 10 JFEE Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OCC(F)(F)F)c1 1361281347 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10 JFEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1507988163 PZTLEXVJFWEWGT-YCRPNKLZSA-N 466.991 2.776 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1507998167 MIACYYGFIWPVLP-NRFANRHFSA-N 468.602 2.876 30 10 JFEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1508070793 HWSHJXOPTQEUAJ-IBGZPJMESA-N 456.566 2.705 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1508136800 VVKMPFGQCNGBKD-SFHVURJKSA-N 486.598 2.705 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1508139469 AGNAGLPLNZVQNS-INIZCTEOSA-N 452.527 2.830 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1508166885 FWXCTQYRVUTZNK-UHFFFAOYSA-N 462.583 2.765 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1508413348 HINUELAVSXEZJA-VPZZIHKRSA-N 452.328 2.982 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)F)c1 1539038261 NFVQUVLNJNLFMI-UHFFFAOYSA-N 457.416 2.544 30 10 JFEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539058489 FWDZAWZGKNSAEN-JOCHJYFZSA-N 494.596 2.923 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2Oc2cccc(F)c2)CC1 1539427770 IQUNCVQANDLGBK-UHFFFAOYSA-N 477.544 2.546 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCN2CC)CC1 1539447964 ZSQRLHCURQCPAZ-VXKWHMMOSA-N 485.677 2.632 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C(F)(F)F)CC1 1539488705 NQZOOPFRUOOQCQ-UHFFFAOYSA-N 465.524 2.694 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1539526550 PZWLEVDARHSFGD-UHFFFAOYSA-N 472.688 2.510 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1539611485 AHNYFOWDGCDXKO-REIDKSKDSA-N 457.550 2.635 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539642946 KBCHYNYVTAUULP-YCFYUYSTSA-N 484.597 2.815 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540871021 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IYLXYVUCCGTTCI-UHFFFAOYSA-N 458.338 2.633 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1589484506 UEOSRDVYGSZDHB-FXAWDEMLSA-N 486.642 2.858 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1593736292 ZPFKNFWLCKIMPJ-AREMUKBSSA-N 493.612 2.791 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1593806568 COYHOSUSERVDAD-HNNXBMFYSA-N 451.358 2.706 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C)c1ccccc1 1594536392 XYSWHAADWHKRBF-MPJJRAAHSA-N 472.659 2.921 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1595166542 URCZPHDFTBOJES-GGAORHGYSA-N 478.645 2.903 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595366818 QKBYEPRPFITFPL-UHFFFAOYSA-N 455.559 2.614 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](C(=O)OC)C1 1595497330 XYXHXLDROZNTOG-JKSUJKDBSA-N 457.600 2.823 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 1595772804 HDOQSXDQYLBXKT-ZDUSSCGKSA-N 472.398 2.554 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595830436 BRTPGRMACBEMRO-PGRDOPGGSA-N 454.637 2.792 30 10 JFEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1608152176 CETGBPAEFVVVSU-XMMPIXPASA-N 469.659 2.696 30 10 JFEE C=CCOC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@H]2CC(=O)NC1CC1 1616126044 AVOPTHDFCOMRFR-RHMPMLHCSA-N 463.600 2.962 30 10 JFEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 1618466647 CBATUQBFDYOMEE-SANMLTNESA-N 495.628 2.719 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(Br)c1 1619912605 HOPJSHYBWJNGJC-INIZCTEOSA-N 464.364 2.968 30 10 JFEE C#CCCN(CCOC)C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1633827530 IOXLTUXZEOPBEM-UHFFFAOYSA-N 455.506 2.900 30 10 JFEE C=C[C@](C)(CC)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1639851190 QNAPJVQSRRSSKU-OAQYLSRUSA-N 452.577 2.876 30 10 JFEE N#Cc1ccc(N2CCC[C@H](N3CCNC(=O)[C@@H]3c3ccccc3Br)C2=O)cc1 1642607178 BREXRDCNZGEEPU-PMACEKPBSA-N 453.340 2.989 30 10 JFEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(=O)OCC 1656400128 KIOLRNDVRZEIFC-SNVBAGLBSA-N 459.677 2.849 30 10 JFEE Cc1nn(C)c(N2CCN(Cc3ccc(Br)cc3N3CCOCC3)CC2)c1C#N 1659484333 GIRGBPLKSDNENM-UHFFFAOYSA-N 459.392 2.522 30 10 JFEE C=CC[C@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F)C(=O)OCC 1663316853 ZCBHAMZUGNRCJI-ZDUSSCGKSA-N 452.298 2.551 30 10 JFEE N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1 1680373336 HSMCHQZYJGBHFV-UHFFFAOYSA-N 457.531 2.528 30 10 JFEE CCc1ccc2c(c1)[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCO2 1681412197 CHXVVWVAWLTGGC-OAQYLSRUSA-N 454.552 2.660 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689986083 IIRJMRYPPGPXOV-QFIPXVFZSA-N 480.638 2.788 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689994002 OZIUAKDXBNKGBD-IRLDBZIGSA-N 479.606 2.667 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccncc1Cl 1690019836 SJYZJDXBDNEEEI-LJQANCHMSA-N 470.961 2.756 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690028283 QFSHGNVAZZGGPA-NBGIEHNGSA-N 450.539 2.667 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccncc2Cl)CC1 1690110593 SDAOACYAMUFYTQ-UHFFFAOYSA-N 484.391 2.713 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)CN2CCCC2)CC1 1690153797 AXGKQQQASCWNPY-MDNUFGMLSA-N 484.689 2.894 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690170458 JPIOQDAUKJSUAL-MOPGFXCFSA-N 496.637 2.672 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690182718 FHDSIIZGXBXQAX-IBGZPJMESA-N 462.641 2.854 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)C 1690196680 TUSMLDQTRDLNMQ-NFBKMPQASA-N 459.616 2.859 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1690219367 CAEGTKXUTIZXHD-OAHLLOKOSA-N 476.441 2.727 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690230338 ZLDVWUUWQLGJJC-LBPRGKRZSA-N 463.348 2.925 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1690367453 PJEVOHKXYMJRRP-ICSRJNTNSA-N 459.616 2.903 30 10 JFEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccccc1 1690441869 IDPXEUDBWOUQKN-RTWAWAEBSA-N 450.587 2.836 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(C)=O)CC1 1690662277 XEFOSHNFKPRDFE-UHFFFAOYSA-N 458.975 2.784 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1690674134 PZNRJGUBNPTKSC-UHFFFAOYSA-N 485.013 2.848 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2cccs2)CC1 1690676973 JTFRBUVLENPQCK-UHFFFAOYSA-N 468.583 2.556 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1 1690724022 GLUWJTUKYPUAPZ-LJQANCHMSA-N 497.662 2.958 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2Cc3ccccc3O[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1690731356 JDYCAOPMJCNGBZ-CYFREDJKSA-N 490.626 2.707 30 10 JFEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)C[C@H]2C)CC1 1690828146 COHRLMPPYZBQPT-YKSBVNFPSA-N 479.629 2.621 30 10 JFEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C 1691579218 BFZXFUFZZDBHQI-LJQANCHMSA-N 488.614 2.601 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCOC1 1696051262 DASHOUSXYFNFJC-MQNAVGNWSA-N 480.585 2.921 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705543349 CTTDCWVLDQZGPE-HSZRJFAPSA-N 470.961 2.738 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705564815 QKPGMLURYYDMEB-LJQANCHMSA-N 480.594 2.587 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H](OC)C(F)(F)F 1705583052 PGUWTDHBALUMFQ-IRXDYDNUSA-N 485.507 2.627 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1705590492 MUTDHQQSSIRIQB-CYFREDJKSA-N 459.591 2.554 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1nc(C)cc1C 1705591857 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NPLMFTHLGVYZER-AWEZNQCLSA-N 450.406 2.892 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705684321 MDKUCZCRVHCKMS-LJQANCHMSA-N 490.406 2.978 30 10 JFEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705733457 NYHXEVVDHMNSJD-OAHLLOKOSA-N 479.354 2.653 30 10 JFEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705750520 GNORGOZGFJTMGN-UHFFFAOYSA-N 453.978 2.892 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705836206 KGKYBWRXUZRYDP-CQSZACIVSA-N 463.302 2.921 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938858 LDVLEXPRHTXUDA-WNRNVDISSA-N 465.620 2.638 30 10 JFEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705941129 ZSWIWHWKMMSURA-NVXWUHKLSA-N 481.416 2.987 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705946574 LFICVZUCXOICII-HKUYNNGSSA-N 466.604 2.816 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(CC)S(C)(=O)=O 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30 10 JFEE Cc1c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282589580 PIQBYNZFDSTSEK-YLJYHZDGSA-N 452.408 2.526 30 10 JFEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)C1 2282593059 LMXBXVYKLONVAG-UHFFFAOYSA-N 462.400 2.593 30 10 JFEE Cc1sc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2282641250 YDHASRDSTVYGAO-INIZCTEOSA-N 482.452 2.964 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c1 2282694255 GDBQZMDTRQELKR-DEOSSOPVSA-N 460.380 2.708 30 10 JFEE Cc1cc(S(=O)(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282836950 RDONJFUDGHBIDK-QGZVFWFLSA-N 480.436 2.972 30 10 JFEE C=C(CS(=O)(=O)NC[C@@H]1CCCC2(CN(C(=O)OC(C)(C)C)C2)O1)B1OC(C)(C)C(C)(C)O1 2282877445 RMTMVIMHPIPIDV-KRWDZBQOSA-N 486.440 2.652 30 10 JFEE CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2283948483 NOHGJRINSZPGPR-SJORKVTESA-N 461.368 2.591 30 10 JFEE 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C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286345827 ZOCMHMUFCMCQGD-SFHVURJKSA-N 496.008 2.782 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1286369576 SZGJJQXDXKTMSB-UHFFFAOYSA-N 457.538 2.535 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286388933 WZIUSGNYGHKGIP-MAUKXSAKSA-N 495.443 2.925 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCS2)CC1 1286489016 BSZVVFXMGRQSRH-IBGZPJMESA-N 469.611 2.824 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286506182 RCFMAYYPVFYHBZ-OAQYLSRUSA-N 473.668 2.548 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286548579 TYZFKCIWDQZAQA-CUWPLCDZSA-N 453.591 2.593 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286588496 RWOBKSRFWCHXDO-SFHVURJKSA-N 457.575 2.706 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286773346 DVBWELVMUHOHMM-UHFFFAOYSA-N 499.641 2.501 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286836261 ITSFSUBUOYTYGX-QHCPKHFHSA-N 480.679 2.868 30 10 JFEE CC(C)SCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1288418996 FBMUZGKIEYDSML-SFHVURJKSA-N 491.687 2.618 30 10 JFEE CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1291402951 FCGMVSNTMCTAPE-OSPHWJPCSA-N 454.575 2.618 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CC(F)(F)CO2)c1 1300334124 HXOXYWTWLDZVJM-HXUWFJFHSA-N 466.492 2.744 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300503161 AWRYKJCZIFVZPW-OAQYLSRUSA-N 497.621 2.562 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(C(N)=O)nc1 1300653122 JGTIBILHRXOTTQ-UHFFFAOYSA-N 483.576 2.981 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CCCC2)CC1 1300691447 ZFQAUDWUJDOZJH-UHFFFAOYSA-N 462.367 2.907 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCCC)CC1 1300711617 FDKOJVWPLSOUPP-HXUWFJFHSA-N 480.613 2.527 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1300727317 WICAALITNYDTLC-JTHBVZDNSA-N 482.604 2.580 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1300883711 FBPTZBZRYCFHCD-MDZRGWNJSA-N 451.522 2.646 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@]1(OCC)CCOC1 1300896411 FEOXCJBBQDIKIM-BPXKWBHBSA-N 464.998 2.935 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1300991529 ONZVHQYHGGQWFV-OALUTQOASA-N 454.575 2.546 30 10 JFEE C=CCCOCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301259029 DYUIKTPUXWITPN-XMMPIXPASA-N 463.623 2.606 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1301383438 HUGVOSZQBFNEQD-RXVVDRJESA-N 464.570 2.905 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1301424547 MAHGWAWOEYSCML-CYFREDJKSA-N 479.622 2.837 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 1301502487 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1507800332 UZXXTFCGFLTHGE-UNMCSNQZSA-N 497.706 2.725 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507823825 IUVSFWGQQYZLPO-UHFFFAOYSA-N 463.517 2.993 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(C)C)cc2)CC1 1507902617 LPEZAALISOFAEW-QFIPXVFZSA-N 489.642 2.849 30 10 JFEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1508062099 MLZYYRQQRSTPLC-UHFFFAOYSA-N 463.586 2.616 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508143724 KCVSOYCYPOLNIN-IBGZPJMESA-N 493.605 2.712 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1510266264 HLTGOYRHKTZDCO-DSKINZAPSA-N 474.993 2.647 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1512691037 HBXDTXYBCNOQRC-GERBCZOESA-N 454.575 2.663 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cccs2)cc1OC 1518129292 DOHWXSYUHNHHOR-QFIPXVFZSA-N 470.530 2.896 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCN1CCCO 1539154079 GGWLNLUXFFHARE-MRXNPFEDSA-N 462.392 2.632 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539217013 ZEHIDEQWFCXHDM-TZIWHRDSSA-N 484.670 2.786 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N[C@H](C)CC 1539263317 FDTGDBMGPVJDMJ-UXHICEINSA-N 470.618 2.770 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCSC1 1539399554 OQPWBCNSGIWBMD-IBGZPJMESA-N 451.390 2.662 30 10 JFEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539507261 VDYKZNSQKZZTFU-UHFFFAOYSA-N 491.665 2.850 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)OC)CC1 1539640754 BBKZMGDIDKLWMN-FXAWDEMLSA-N 473.599 2.640 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1539686289 NZSNIWKJZLTQIS-UHFFFAOYSA-N 467.599 2.858 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNS(C)(=O)=O)CC1 1539873874 GBEKLBDSCUBXFE-INIZCTEOSA-N 451.568 2.899 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1540136364 GXJMVMAKRGUVQJ-SFHVURJKSA-N 463.579 2.774 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1540169837 IZHRVNZCSOBLQQ-LJQANCHMSA-N 472.615 2.937 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 1540643111 GJTXYLCEKHLCHE-GOSISDBHSA-N 450.967 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C#N 1540899860 CLJULVOAFWLTRS-AWEZNQCLSA-N 452.378 2.904 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1541990327 DUFRHQUYAJTFHS-JXFKEZNVSA-N 498.531 2.695 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)CSC)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548393512 MGEKUVQQZCRLQQ-ZWKOTPCHSA-N 468.545 2.977 30 10 JFEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)Cc4ccncc4)CC3)C2)cc1C(F)(F)F 1548397034 FURADPVMJSXPOS-LEWJYISDSA-N 485.510 2.991 30 10 JFEE CC(C)(CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Br 1558953932 GVHZXOLGYBHUIA-UHFFFAOYSA-N 450.358 2.693 30 10 JFEE C=CC[C@@H](NS(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl)C(=O)OCC 1561460875 YRQXZQYJGSCLEM-MRVPVSSYSA-N 453.698 2.735 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1587585872 GMOJHMWTSMXUJV-DPHDRGAJSA-N 469.343 2.692 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)(C)C)CC1 1587813830 WAZSICOJEZZAHQ-UHFFFAOYSA-N 457.648 2.881 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H](C)N1CCCCC1 1588193722 JYDGLEOAZXSIIC-JOCHJYFZSA-N 496.681 2.923 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCCC2=O)c1 1588272032 TVHYOAINTCSXJL-RUZDIDTESA-N 451.571 2.953 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCCC2)CC1 1588762818 MOBKQIHHGDBZJQ-UHFFFAOYSA-N 461.408 2.876 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1588946310 BENHBORXSWNZGI-IBGZPJMESA-N 453.587 2.919 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCCCC2)CC1 1588961900 PYBZTJVDMQIOGV-UHFFFAOYSA-N 478.641 2.926 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CCC)C1 1589171481 HOFKCDIPVTUBKI-NBGIEHNGSA-N 484.670 2.919 30 10 JFEE C=C(Br)Cn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1589460521 ROSFSFZOTIQAAB-YUELXQCFSA-N 485.427 2.776 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1589483591 PBYVQCHNKDEPBM-QZTJIDSGSA-N 481.439 2.561 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589559940 VPZYENKHEIQKIJ-BJLQDIEVSA-N 450.630 2.925 30 10 JFEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1593757960 RLSJFXXHYFQJPJ-UHFFFAOYSA-N 455.559 2.743 30 10 JFEE C=C(Cl)Cn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593931843 ASBYGKLRADESRA-NRFANRHFSA-N 450.971 2.690 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNS(=O)(=O)CC)CC1 1594064309 LZXJWRGVTBELPR-UHFFFAOYSA-N 454.394 2.803 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1594543641 DBFCZGUFXBOGMA-PMACEKPBSA-N 492.667 2.554 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1594624874 CFGGABOYJGSOMQ-MOPGFXCFSA-N 469.652 2.751 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1594789001 XCDMTUXUSWNTRX-FQEVSTJZSA-N 479.379 2.670 30 10 JFEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)CN1CCOCC1 1594956375 KURUBNQYFQALJW-IBGZPJMESA-N 462.639 2.983 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CN2CCCCCC2)CC1 1595555457 ACBCZICSPMPJPF-UHFFFAOYSA-N 451.619 2.659 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595594578 MYVIUDHHEDHWME-HXUWFJFHSA-N 463.586 2.839 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(c3ncc(C)s3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595602837 SGSUJZVXSLDMLS-HSZRJFAPSA-N 474.631 2.770 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[S@](=O)CC)C1 1595681470 RQFUZVHKNRHQGF-YVORESIASA-N 456.410 2.596 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCn2cc(Br)cn2)C1 1595713979 JISLFZREEXIKBD-MRXNPFEDSA-N 459.352 2.566 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncccc1N(C)C 1611760978 BBNVRRZXRBRABS-IRXDYDNUSA-N 451.506 2.795 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@H](C)N(C)C)c1 1611927186 BCJXJBPVMWLAQD-HXUWFJFHSA-N 491.644 2.664 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@H](C)OC)n2)C1 1618582092 CBVRLXDKUMQBCG-NPMXOYFQSA-N 465.583 2.991 30 10 JFEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CCCCC1 1619652828 DIJKMGDHRFTKEW-IBGZPJMESA-N 466.586 2.993 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1=O 1619938651 BYLHCLKLBVOMPC-IBVKSMDESA-N 479.629 2.622 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1623170467 MPWHUOQJIMDSDM-UHFFFAOYSA-N 453.442 2.654 30 10 JFEE C=CCCn1cc(C(=O)NCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1 1637921210 LKGDGMGHNIZNLI-UHFFFAOYSA-N 454.575 2.837 30 10 JFEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1F 1659333191 HCZSLTULZWZWRX-QGZVFWFLSA-N 451.907 2.837 30 10 JFEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 1660031134 FAJVUPVMGLQOCR-HNNXBMFYSA-N 453.520 2.870 30 10 JFEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CC1 1663573767 BRCAYKXQGRQWEG-UHFFFAOYSA-N 454.173 2.906 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCn1cc(Br)cn1 1689864614 FMTXMRJNMCMJNT-HNNXBMFYSA-N 459.348 2.983 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)COC2 1689966477 SRJYIIBOHCDNKC-FQEVSTJZSA-N 453.543 2.734 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689982994 YNHLPQMPMQSJJG-ZHALLVOQSA-N 494.564 2.988 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1689990584 QHBLQNSMNMDEQQ-NHCUHLMSSA-N 472.611 2.902 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689991960 FBDHULTUONFMTI-GMAHTHKFSA-N 499.681 2.769 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCC1(O)CCOCC1 1690095132 FSOAJJHUKANQRW-UHFFFAOYSA-N 463.376 2.725 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)N(CC)CC)CC1 1690113980 ZJQQAYDERLXVNW-QGZVFWFLSA-N 462.440 2.532 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1690124388 KJORXQPIOFUGLF-HXUWFJFHSA-N 463.504 2.664 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2oc(CC)nc2C)CC1 1690140121 MMUDCNXTKIWQEW-UHFFFAOYSA-N 457.538 2.690 30 10 JFEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690220811 BCBQISAMJIKWMA-IBGZPJMESA-N 489.418 2.605 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690437530 HALPMWUZGMHWLF-GOSISDBHSA-N 469.615 2.974 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690629088 CQLXGFDOIMVGSU-OXQOHEQNSA-N 468.558 2.769 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1690723771 ARHRTHKTSCWRIC-SJORKVTESA-N 466.991 2.694 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)C1 1690795815 FODMMPFTIATAJC-QHCPKHFHSA-N 490.612 2.937 30 10 JFEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)c1ccc(F)cc1 1692723790 FMVBNQASFBLBOM-DYESRHJHSA-N 490.605 2.684 30 10 JFEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1697934073 AEAYVYGORKBGAO-ZYKOEDHHSA-N 455.559 2.522 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCCC2(C)C)c1 1705504371 UONQRQMKRRKKKI-SANMLTNESA-N 478.597 2.512 30 10 JFEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1705514784 IWQTVPVLDMAJFJ-MOPGFXCFSA-N 456.616 2.604 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCO)Cc1ccccc1 1705525257 BRASUOXILDANJO-UHFFFAOYSA-N 466.611 2.959 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1 1705552068 VMIKHQARAQENKN-FQEVSTJZSA-N 497.600 2.798 30 10 JFEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1705617552 YKDBZJBOCHTFGW-RUZDIDTESA-N 469.655 2.739 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCOCC2(C)C)CC1 1705633056 IGAFXPCIHJLVMW-HSZRJFAPSA-N 480.657 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705648990 GNLPMBUUHSDPIN-NRFANRHFSA-N 493.612 2.705 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705649605 CKJGQXHIYWFFPB-HXUWFJFHSA-N 495.628 2.533 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705651675 FMCJTTFLQLLJLB-DVECYGJZSA-N 469.611 2.898 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705723105 ZUFVPLDZHSLHRV-QGZVFWFLSA-N 456.547 2.587 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705740095 BEYUIPAKJIDJPL-WOJBJXKFSA-N 483.679 2.555 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2n[nH]c(C)n2)CC1 1705782833 JOZMCWKZRDJFGE-GOSISDBHSA-N 472.594 2.658 30 10 JFEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705834360 JJJAAZRAIACXLA-CVEARBPZSA-N 453.996 2.975 30 10 JFEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1705835462 LMVKZEATSDXCBW-WIOPSUGQSA-N 455.603 2.934 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705896079 BFKOLIPYSKVNEX-ZDUSSCGKSA-N 493.431 2.566 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705897683 RIWHSGBWWAAMHF-OALUTQOASA-N 486.592 2.549 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705900354 ZUCYERLMWCEOBF-HKUYNNGSSA-N 469.590 2.772 30 10 JFEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1709251042 CDAZHRLKKRJEHB-NRFANRHFSA-N 450.591 2.543 30 10 JFEE CCN(CCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1710143099 ATBDDDJERUQBLP-NRFANRHFSA-N 480.635 2.992 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(NC(=O)OC)c1 1710731007 CHULBHPZTUURRZ-UHFFFAOYSA-N 476.541 2.634 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1722279113 SKIROYZCWRRRIW-CVEARBPZSA-N 490.402 2.669 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1722343889 KUPSIGMDIUEXKN-HXUWFJFHSA-N 453.465 2.881 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722371616 XIQSMQHCPRBRIQ-YYDVJCTNSA-N 490.601 2.684 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1722390876 WRKFACOCCYPYPG-HXUWFJFHSA-N 474.565 2.826 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1722397957 PQOFCGHAKWPXNF-XZOQPEGZSA-N 460.582 2.538 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722488895 KTIXUFYQYGJNEI-UTKZUKDTSA-N 482.423 2.819 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1C(C)(C)C 1722504061 YAKHPIGZBNKUOR-MJGOQNOKSA-N 494.687 2.833 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1722658991 NWGAROTYFQIXLQ-IBGZPJMESA-N 453.568 2.825 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722660770 GEKMIOJBKMRMHQ-HSZRJFAPSA-N 462.591 2.892 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722688707 JMOWWBNSUGXKHQ-AEFFLSMTSA-N 474.993 2.869 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722689326 RYRLJKMLLAXNPF-LQWHRVPQSA-N 489.020 2.531 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC(F)F)C1 1722719096 QNZLLIRRTHCBDN-MAUKXSAKSA-N 498.552 2.620 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1722729775 WXOIEOBWKKWPTB-UHFFFAOYSA-N 480.638 2.808 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@](C)(O)c1ccco1 1723603215 FHDXZOVZNMMGKD-SANMLTNESA-N 491.596 2.501 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1726858937 CBCUOZQPUCEPJS-PGRDOPGGSA-N 483.592 2.799 30 10 JFEE CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1727249777 ATRIRLXWTSLYCD-IEBWSBKVSA-N 462.558 2.755 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCN1CCC[C@H]1CO 1740563627 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30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCOC(C)C)CC1 1760265692 HJCCACJSLCSHHN-SFHVURJKSA-N 457.550 2.948 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(N(C)C)CCOCC2)CC1 1760266102 PUTRRJKDFSEKOB-DEOSSOPVSA-N 492.668 2.897 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760277217 DILXQFWAZHCSGK-XMMPIXPASA-N 482.610 2.814 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760293541 ZASWBVAWUJYQOW-HSZRJFAPSA-N 450.568 2.631 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1760330212 VKEHGGPSKFXONF-OKZBNKHCSA-N 484.667 2.936 30 10 JFEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760355249 CVSSWJPMIUUESZ-LJQANCHMSA-N 493.612 2.763 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC1 1760403928 LKBPWELJQFIPAV-UHFFFAOYSA-N 487.004 2.513 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760411867 FMSUNIWDDOSDSC-MSOLQXFVSA-N 452.621 2.557 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1760495549 QZLKQSUPHIWCOR-OAQYLSRUSA-N 457.600 2.715 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760515774 RQFZIDDPHXGPTJ-IBGZPJMESA-N 493.637 2.984 30 10 JFEE C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1760571982 RYXIZZDGGISEKU-TXQCQQFXSA-N 454.556 2.941 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccc(F)c(F)c1 1766408510 DVUKHXSPMVJJMO-INIZCTEOSA-N 468.512 2.712 30 10 JFEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1767229781 CUGSPXSIHXXCMQ-UYAOXDASSA-N 478.519 2.943 30 10 JFEE N#Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1 1858376533 PQCDODUBWDRNTQ-HXUWFJFHSA-N 466.563 2.834 30 10 JFEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccccc2)c1 1861252111 KPLREFWHXBHSQG-XZOQPEGZSA-N 453.583 2.949 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862480450 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C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCC(F)F 1539177983 CTVVOUCAHRWYLC-KRWDZBQOSA-N 492.527 2.743 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1cccs1 1539323383 FYFJOOJATSSQTI-RUZDIDTESA-N 475.622 2.884 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 1539323396 GCDVZXFXZXJPAM-KRWDZBQOSA-N 466.485 2.590 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC1CCCCC1 1539323680 ISPJBOOZIABYCA-UHFFFAOYSA-N 488.640 2.754 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCCCCC2)CC1 1539482133 JAWFOGFRNGBIMJ-UHFFFAOYSA-N 494.615 2.767 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539496975 FATBWMBQAQZAAH-UHFFFAOYSA-N 468.048 2.731 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1539517431 NLLYZQOOJURCGI-IEBWSBKVSA-N 462.641 2.623 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCSC1 1539540042 DTJGEDAYPZBDLO-VGOFRKELSA-N 459.641 2.941 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](C(=O)NCCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539609808 SDUCHRUQQCBOHE-LAUBAEHRSA-N 484.439 2.970 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539666892 BFWLWKKBQNWZRL-UXHICEINSA-N 452.559 2.797 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540869059 AJCFCKXEEUIZLW-HXUWFJFHSA-N 493.612 2.789 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540879788 OJSORRODNPKZTH-MJGOQNOKSA-N 452.559 2.877 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)C1 1540896134 HCUVIWUINOPWDE-IYWMVGAKSA-N 466.648 2.803 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1540907177 NKJSMQDKLMBXHS-RTWAWAEBSA-N 460.600 2.914 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1564589420 DGKJCQDOLWRMCM-AQNXPRMDSA-N 455.559 2.794 30 10 JFEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1564958172 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C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595850499 OEQIGGMSMNOJQK-LJQANCHMSA-N 465.583 2.503 30 10 JFEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@H](C)C1 1595871026 CWCATWNEYJNJQI-QGZVFWFLSA-N 463.677 2.688 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1595884314 KFNMIIAWGMNJPD-SFHVURJKSA-N 477.656 2.791 30 10 JFEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595890112 JHUHEDOFXBMXDL-GOSISDBHSA-N 475.018 2.914 30 10 JFEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)N1CCC[C@@H](C)C1 1612782899 BAJGRRZIORSPQG-AABGKKOBSA-N 465.602 2.516 30 10 JFEE CCc1ccc(-c2cc(-c3nnc(SCC(=O)NCc4ccc(C#N)cc4)n3N)n[nH]2)cc1 1613607400 CVXOILGEYOKQMR-UHFFFAOYSA-N 458.551 2.892 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCCO[C@H](C)C2)c2ccccc2c1=O 1615895285 FGYNSZVIFUYVKR-VQTJNVASSA-N 492.628 2.914 30 10 JFEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1(C)C 1616539224 GBFHZCKATWUJCZ-LEWJYISDSA-N 464.574 2.631 30 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C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689986938 ZVEDKPWOMYBTMR-FQEVSTJZSA-N 473.643 2.897 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689994328 WHFUELLKSMCHRK-QGZVFWFLSA-N 450.655 2.843 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1690076900 DIZYDJOTPPBENS-UUWRZZSWSA-N 477.638 2.838 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690119802 SSEAROONWJBXQO-SFHVURJKSA-N 482.585 2.590 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690172416 FHTHKGORCWTYAQ-XUVXKRRUSA-N 493.674 2.999 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)C)C1 1690174332 BLTBLZCATMFFCO-OALUTQOASA-N 479.647 2.814 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1690251838 ZRZHXXCNSZMNDR-CVDCTZTESA-N 474.627 2.894 30 10 JFEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690315597 GRVPMRQORINQCN-KRWDZBQOSA-N 491.518 2.614 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)c1ccccc1 1690321416 AZJMTVQBPWSMMJ-MJGOQNOKSA-N 485.614 2.752 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690451583 KHAFRSNNGTTZKM-IKGGRYGDSA-N 470.640 2.594 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1690485452 TYBQNBOFPWZHTB-LJQANCHMSA-N 497.662 2.956 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1690485676 ZRGDFLKRGNFPOU-LJQANCHMSA-N 484.022 2.876 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1690609709 XUJYMUBMUTZZQR-UHFFFAOYSA-N 484.622 2.945 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1690630122 UOEOVOPVCMDMMC-SFHVURJKSA-N 473.647 2.865 30 10 JFEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1690648091 DTVLVNRZQFDRLL-UHFFFAOYSA-N 458.014 2.597 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1690668209 WSUAFTHNCOAWSQ-UHFFFAOYSA-N 493.587 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)NC(C)(C)C 1690719487 NBPJGSOJHDYHQC-UHFFFAOYSA-N 484.022 2.559 30 10 JFEE CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1692017595 AQCOCZGIBCUHCZ-TZIWHRDSSA-N 457.600 2.891 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1705505778 NOAAXNRXRDYTQF-NJYVYQBISA-N 473.666 2.834 30 10 JFEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705522096 VOVRRJVXLXJEBX-UHFFFAOYSA-N 498.653 2.957 30 10 JFEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705526195 GYPIEOIYXPPWCN-OAQYLSRUSA-N 450.511 2.975 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1705565562 VSTRDKFDTSIILF-YADHBBJMSA-N 455.628 2.836 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1705565962 LBSHLVAEJRBMAE-GOTSBHOMSA-N 486.638 2.774 30 10 JFEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705568539 PNCMNBYCXNBXFK-PZJWPPBQSA-N 487.670 2.731 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(CCOC)CCC1 1705574859 PNCOUJADXMMUAE-UHFFFAOYSA-N 468.627 2.826 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCOC[C@H]1OC 1705613297 YAGSUFLXGOCCOI-WOJBJXKFSA-N 461.607 2.904 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(NC(=O)OC)c1 1705617427 UTJYMQJNQFIECR-UHFFFAOYSA-N 452.540 2.956 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)NC1CCCCC1 1705621162 UIRLTFNRRRVCCY-UHFFFAOYSA-N 466.561 2.628 30 10 JFEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705621954 SYOGVWSEEMJZLG-FHWLQOOXSA-N 461.607 2.686 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)c2ccsc2)CC1 1705633872 ALLILLIDVBJOSX-QFIPXVFZSA-N 452.540 2.578 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705646227 BXEWIIVUFCNBQY-QFIPXVFZSA-N 476.581 2.815 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705649590 BEQKPKSLCFYGND-WIOPSUGQSA-N 477.609 2.847 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)(C)C)CC1 1705658143 GEYIRLJXHJKABI-UHFFFAOYSA-N 475.688 2.525 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1705664484 QEZKYMYUZPPQAS-UHFFFAOYSA-N 462.641 2.854 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705888181 JMFPDMDZXRLAON-INIZCTEOSA-N 473.521 2.929 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(Oc2ncccc2F)CC1 1705904894 BOYVTBIDMQKAEI-UHFFFAOYSA-N 468.508 2.892 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1705908782 HKTKCKRTPRTWRN-IBGZPJMESA-N 486.621 2.639 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705930191 HSHIRROPVIQJTR-HLAWJBBLSA-N 487.626 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705933382 FHKMFRNNONYJPK-QFIPXVFZSA-N 491.976 2.831 30 10 JFEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](OC)C(C)(C)C)c2ccccc2c1=O 1709806987 HUKDELPPXAQNKM-XLIONFOSSA-N 479.585 2.855 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722303736 QYDOBYOGRGWUFL-YJBOKZPZSA-N 455.456 2.717 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1722317301 SEJPTIUDBJRHBX-HJNYFJLDSA-N 471.627 2.797 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722358480 IDMFNZSWSLWNBB-MOPGFXCFSA-N 459.616 2.632 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722367385 WBMBCIYVLGLDIQ-NQIIRXRSSA-N 495.443 2.741 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722370077 LFBSRPOUQUQYAJ-JOCHJYFZSA-N 485.654 2.532 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722371776 LLMYBQIVDHLDSQ-JOCHJYFZSA-N 456.612 2.507 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1N(C)CCCC1(C)C 1722384411 QIRLYXIGUPDSFM-LEWJYISDSA-N 484.645 2.780 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCCC1 1722417556 LNEWSEAYUQIEGG-UHFFFAOYSA-N 475.590 2.553 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)COCC2 1722421349 KYOSPEFRFHQFRA-RUZDIDTESA-N 454.571 2.526 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1722439183 RTJHTDGFULROLQ-UHFFFAOYSA-N 471.005 2.756 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1CCO[C@@H](C)C1 1722450186 ZREGQMGXNYHUMJ-ROUUACIJSA-N 450.543 2.885 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(F)(F)F)CC1 1722479349 HGVADBUKRGERDB-ZDUSSCGKSA-N 456.307 2.595 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1C(C)(C)C 1722504057 YAKHPIGZBNKUOR-IEBWSBKVSA-N 494.687 2.833 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722505242 JLUUFIWXVFWTEX-FYYLOGMGSA-N 458.651 2.907 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722545886 CMJJQXGCBNIDDO-QGZVFWFLSA-N 474.812 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(C)C 1722727889 MERQUDUHZKDVNJ-GOSISDBHSA-N 485.651 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722731750 QRBLUXVSOXDBOG-LEWJYISDSA-N 474.627 2.938 30 10 JFEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1726501169 CTKUERZYGFWOEW-QZTJIDSGSA-N 450.547 2.528 30 10 JFEE C[C@H]1CN(C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1726639842 HIOBSHSGFCTCEM-LVCYWYKZSA-N 456.566 2.625 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(OC)c(OC)c(OC)c1 1740548023 CNZOFTCTWNUBFO-AWEZNQCLSA-N 453.499 2.538 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740616576 CWGXMMNJEPDHEE-NRFANRHFSA-N 470.639 2.926 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1740620554 QIRXAYNUNFWCJW-HTAPYJJXSA-N 494.086 2.663 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1740622938 LEFDYKLQUCSLLR-WOJBJXKFSA-N 479.647 2.723 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)NCC(F)(F)F 1740653348 JUXYNYCVUBSNEN-UHFFFAOYSA-N 456.428 2.742 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(COC)CCCCC2)CC1 1740707298 XFHRNCHVYOQQSK-UHFFFAOYSA-N 464.614 2.827 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740724034 XMMYFQIPRBJQRH-NHCUHLMSSA-N 458.584 2.616 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1740787923 NHFYOFKOIKHMIJ-MJGOQNOKSA-N 491.614 2.594 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1740788018 OFAKPVKMTFKCRD-HUUCEWRRSA-N 490.051 2.774 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1740897787 UIPDGGIUFUKGQC-UHFFFAOYSA-N 470.599 2.825 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1ccco1 1740952210 XJZJZMGNQNVNGS-HNNXBMFYSA-N 456.934 2.954 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1740970666 OUKKBFHHRLRKCJ-KOSHJBKYSA-N 466.542 2.824 30 10 JFEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1741069437 AAZDXMFDNOGTTG-UHFFFAOYSA-N 484.626 2.525 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1746882060 BBTHPGDRZWHNGM-DEOSSOPVSA-N 472.565 2.809 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCc1c(C)noc1C 1747187884 GZWCEOIRFCZHIX-UHFFFAOYSA-N 453.522 3.000 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCCC2)c1 1747600508 BKRVFIFFCPHMKI-UHFFFAOYSA-N 485.658 2.811 30 10 JFEE COc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)N2CCCC2)cc1 1748598540 CNRPHOKVJPAYIJ-YKSBVNFPSA-N 469.565 2.704 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1748641621 ITLMWWRBXWXTNU-IBVKSMDESA-N 465.598 2.947 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748804121 DAXJLFBHTIXUSN-NLWGTHIKSA-N 476.574 2.611 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1748815270 NYHZVNARDPEGFY-QWFCFKBJSA-N 493.029 2.920 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748819156 LQJHMAZRAKKSCQ-FQEVSTJZSA-N 485.997 2.601 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1748945234 NRMWREWYVMLAGD-LJQANCHMSA-N 498.628 2.866 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1749005154 SKNLSLBENLDIKJ-WZONZLPQSA-N 482.604 2.863 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1749043355 CSDFVACBWQWOQJ-UHFFFAOYSA-N 483.601 2.939 30 10 JFEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(=O)NC)C1 1749089926 FVKZLACJJXLDMP-DOMZBBRYSA-N 480.432 2.991 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749175778 ODNBAAQOOMDITJ-UHFFFAOYSA-N 462.501 2.697 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1749226524 RQIMQMCKAXMZDR-FCHUYYIVSA-N 452.603 2.923 30 10 JFEE C=CCC(C)(C)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1749377700 ZHBNKYSNPVEXET-PXDATVDWSA-N 460.667 2.749 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749386143 BAZIVIVHXJBCBO-UHFFFAOYSA-N 454.550 2.972 30 10 JFEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 1749421996 VGLJWNUXJFHTJV-UHFFFAOYSA-N 478.391 2.977 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1749536111 ABRLNHLEPDYIFP-WBVHZDCISA-N 455.531 2.505 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)OC)C1 1749680689 NZBSVRXXFCIYND-AWEZNQCLSA-N 482.368 2.856 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 1749683560 XVQZLNDRYFEZRJ-UHFFFAOYSA-N 494.556 2.976 30 10 JFEE CC(C)COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1750854387 FXBHJPBHAMUPRZ-XMSQKQJNSA-N 461.563 2.705 30 10 JFEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)c(=O)n1C 1751525947 AALKBAFUZJMHTI-HXUWFJFHSA-N 462.554 2.647 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(Br)ccc1F 1760115855 CPZZMTGWSCZDEO-UKRRQHHQSA-N 469.380 2.782 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(C(=O)N(C)C)CCCC2)c1 1760128090 YEUWHGZUTBQVCT-UHFFFAOYSA-N 499.619 2.969 30 10 JFEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1760135990 ARJOWIMXJWECSH-HNNXBMFYSA-N 461.469 2.999 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCOCC1CCOCC1 1760196729 WWOHUSYHZSGWNO-UHFFFAOYSA-N 474.403 2.952 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760199258 SLVFCHSDSRUTJJ-UHFFFAOYSA-N 499.619 2.620 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCn2cc(Cl)cn2)CC1 1760255689 GUVOUAGGYDPRBK-UHFFFAOYSA-N 460.369 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCOCC2)CC1 1760265500 COXOVVKCQSZMAV-GOSISDBHSA-N 469.561 2.950 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1760413335 FJRMRAKWZUVSOK-IAGOWNOFSA-N 462.595 2.500 30 10 JFEE 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455.566 2.919 30 10 JFEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286329539 UKAIUQMMUBQPTA-IBGZPJMESA-N 452.578 2.601 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286389169 YSWKBYXTGGVSOZ-QGZVFWFLSA-N 489.960 2.816 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)O)CC1 1286492604 NHUJQMMDPDHYHZ-UHFFFAOYSA-N 480.396 2.901 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286508194 OTIURXDCOLGRGM-JOCHJYFZSA-N 482.679 2.856 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CN(C)C1=O 1286765402 FGWWJDAAYCUUAC-HXUWFJFHSA-N 466.355 2.964 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286792141 NETYFRGNQQYHCL-LJQANCHMSA-N 484.601 2.819 30 10 JFEE CCN(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1295396534 FBFBJPDSGHCJEI-PZJWPPBQSA-N 498.609 2.753 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300476718 UAIAJUATSLXWBS-DBXWQHBBSA-N 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10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(C(=O)NC)c1 1286437751 QVJWKFWCIDLINR-UHFFFAOYSA-N 493.637 2.608 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1286581821 NRADGMCDVPDAGD-INIZCTEOSA-N 473.521 2.967 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCS(=O)(=O)N(C)C)CC1 1286648165 CSNCUCRACLIQLE-UHFFFAOYSA-N 484.420 2.667 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1286814464 AECNBLIVKVYOAE-OAQYLSRUSA-N 488.566 2.734 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286832603 LXRLOGVKKBOKTI-IEBWSBKVSA-N 454.604 2.816 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H](C(F)(F)F)O1 1291223391 GJDTXMIGYRVKAE-KDOFPFPSSA-N 483.516 2.798 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2nccn2C(F)F)c1 1300333867 DKYYIBSAFNVPSX-UHFFFAOYSA-N 476.491 2.960 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1300337077 SGSHKXMYSNVSHS-UHFFFAOYSA-N 452.588 2.551 30 10 JFEE 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458.536 2.519 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3cc(C)ccc3OC)cc21 586351281 YBBUCMKVSRMSHT-MIKNWGHHSA-N 470.547 2.874 30 10 JFEE COc1cc(C(=O)NC2CCC(OS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 586507868 BFQQMGBBVXNEPU-UHFFFAOYSA-N 479.467 2.958 30 10 JFEE COC[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757398533 IACBTOMQMWQTOV-YADHBBJMSA-N 465.506 2.803 30 10 JFEE COc1ccc(NC(=O)[C@@H]2CC(=O)N(N3CCN(C)CC3)C(=Nc3ccccc3)S2)cc1 1083877731 PUHVSOFKCONMKQ-FQEVSTJZSA-N 453.568 2.818 30 10 JFEE COC(=O)CN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)SC1=Nc1ccc(OC)cc1 1083942729 QRNZXYUPZMQLCY-SFHVURJKSA-N 457.508 2.837 30 10 JFEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCc3cccc(C(F)(F)F)c3)n2N)cn1 1084442622 OXYOCSHZETXJDC-UHFFFAOYSA-N 481.508 2.643 30 10 JFEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)N(Cc3nnc(CC)o3)C(C)C)n[nH]2)c1C 1084511068 SOGMVFVTLUYUQM-UHFFFAOYSA-N 486.606 2.725 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 1135821767 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C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2F)CC1 36211655 CEWZZWVNEHMPTD-JOCHJYFZSA-N 467.497 2.507 30 10 JFEE N#Cc1cccc(NC(=O)Cn2nc3c(-c4nc(-c5cccc(F)c5)no4)cccn3c2=O)c1 57504428 SXUWMAPLQBWCRG-UHFFFAOYSA-N 455.409 2.862 30 10 JFEE Cc1ccccc1-n1c(=O)/c(=C\c2ccc(OC(F)F)cc2)s/c1=C(\C#N)C(=O)N1CCCC1 102963003 MNXKPDDPYKACEN-FIXAYNGVSA-N 481.524 2.934 30 10 JFEE CC(=O)OCC(=O)[C@@]12N=C(C)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 119620924 BYZCJOHDXLROEC-NOVBWGJXSA-N 459.514 2.655 30 10 JFEE CC(=O)O[C@H]1CC[C@@]2(C=O)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)C[C@@H](OC(C)=O)[C@@]32O)C1 136273925 FRHFSDRZEDYXNN-WLPOGOTJSA-N 488.577 2.896 30 10 JFEE CCCn1c(=NC(=O)c2cc(OC)cc(OC)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 252671759 ODUBSDOPVDGQTB-UHFFFAOYSA-N 457.490 2.998 30 10 JFEE COc1cccc(C=Nn2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)c1OC 254863138 IPRGFUNVPLWIRL-MRXNPFEDSA-N 474.521 2.975 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 503607986 FSGFWKJOLHYNDF-HXUWFJFHSA-N 476.643 2.546 30 10 JFEE C=CCN(CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 663215677 FGKBSWVBBLOJDS-KRWDZBQOSA-N 496.573 2.554 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 745058734 OFLHQUUTNOQJEW-IBGZPJMESA-N 485.518 2.747 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1c(=O)n(CC)c2ccc(S(=O)(=O)N(C)C)cc21 745155281 NJSPTROWCJQEQH-UHFFFAOYSA-N 473.555 2.627 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1 749650856 QFDLPABSTGKGGC-CTNGQTDRSA-N 475.611 2.850 30 10 JFEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(CC(=O)O)CC1 757277224 OHQLKAIBNBQVMV-HSZRJFAPSA-N 463.534 2.699 30 10 JFEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1OC 1084507630 DZZWEQYRXINLAF-UHFFFAOYSA-N 477.497 2.854 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2cccc(OCC#N)c2)cc1 1126121787 GKQTZAIVGGEDEX-QFIPXVFZSA-N 455.536 2.651 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)ccc1F 1138889132 BWEHNYDTMJRPBZ-OAQYLSRUSA-N 455.552 2.667 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2nn(C)c(C)c2Br)n1 1143259033 DSEUUACOYGCFBC-UHFFFAOYSA-N 454.379 2.857 30 10 JFEE C=C(CC)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1196995263 TWHBBEHCOODZRD-UHFFFAOYSA-N 451.467 2.736 30 10 JFEE C=CCn1c(SCC(=O)N[C@H]2CCO[C@H]2C(=O)OC)nnc1-c1ccc(Cl)cc1Cl 1278676655 CSKCNOZIKSEINA-GOEBONIOSA-N 471.366 2.977 30 10 JFEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286320744 HIEYZLWEEZFELV-UHFFFAOYSA-N 452.584 2.729 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2CCOC[C@H]2C1 1286339477 MOLVSPAXKORETL-MRXNPFEDSA-N 460.376 2.650 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCSCC2)cc1 1286362323 AIKQYPIQFDPHCT-DEOSSOPVSA-N 455.628 2.990 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286383801 OHOVESJJUVEYGV-KRWDZBQOSA-N 489.951 2.719 30 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(F)c(Cl)c1 1288840153 GBRAESCXZWYQEN-YJYMSZOUSA-N 454.959 2.859 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)C2CC2)c1 1300336366 DRSKHWMBJBLRJR-QFIPXVFZSA-N 461.570 2.621 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C(C)C 1300411719 VYXXWDIIAXHCHE-GOSISDBHSA-N 451.618 2.501 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300481852 CAJHEELWUANZPN-VXKWHMMOSA-N 457.644 2.894 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1300485021 VYSLWAQDOLGCJL-IBGZPJMESA-N 492.667 2.565 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300488569 STNFPBFSBRWXAW-LQWHRVPQSA-N 460.600 2.642 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1300498869 NRPOOLOWKKBWQU-AVRDEDQJSA-N 462.616 2.920 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300502234 RLAOROMCOJDRSI-HXUWFJFHSA-N 472.611 2.725 30 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2.737 30 10 JFEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540913187 JZSYXHCUSFNFNX-UHFFFAOYSA-N 454.560 2.833 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1541803234 FCTLPEFHYVVGHX-UIFIKXQLSA-N 472.615 2.543 30 10 JFEE CCn1nccc1C(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(N)=O 1548377725 WITBKYMFHXLXCJ-GOSISDBHSA-N 474.487 2.638 30 10 JFEE C#C[C@H](NC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)[C@H]1CCCO1 1564603416 NVJJWRJRWYPECY-PCODUJHASA-N 471.451 2.561 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1587638604 FUTPUUWADBZFET-UTKZUKDTSA-N 466.611 2.548 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C(C)C)c1 1587697292 MMTVMJBNQIXKBO-VWLOTQADSA-N 494.621 2.733 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1587706601 RJWYWXDABKWRKO-QGZVFWFLSA-N 482.651 2.528 30 10 JFEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 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C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1C 248070452 GPVKLKZEBJVNOB-NBCVKUGOSA-N 455.514 2.811 30 10 JFEE CC(=O)Oc1ccc(C=NN(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)cc1 254607962 YVOVAALIIYFJJE-UHFFFAOYSA-N 470.551 2.702 30 10 JFEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1Br 511549423 BRXBMWNXEVEMMF-UHFFFAOYSA-N 493.383 2.545 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)O)C[C@H]2OCC[C@H]21 757525404 CBEFQFVWUIAKSJ-UARRHKHWSA-N 474.513 2.760 30 10 JFEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 916947778 BBMPCQRQBBRZGJ-WOJBJXKFSA-N 498.536 2.774 30 10 JFEE CCCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CC)c3)n2)s1 1083967928 SIOMOSRVFKMBMY-UHFFFAOYSA-N 466.622 2.942 30 10 JFEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 1084487813 NPVYJQJPCNLRJW-UHFFFAOYSA-N 451.434 2.893 30 10 JFEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1230269130 RYIBWBBKAAPDJJ-FYQPLNBISA-N 464.607 2.515 30 10 JFEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286356384 HVYFQKNHZIQVSJ-HSZRJFAPSA-N 459.554 2.861 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286387966 JGTPUDYNKWFTIY-JOCHJYFZSA-N 457.644 2.865 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC1(O)CCN(C(C)C)CC1 1286458114 KKBHVGVNRVOSOP-OAQYLSRUSA-N 455.578 2.796 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CCOC)CC1 1286474475 GEAQQYSDSAGXCL-NRFANRHFSA-N 452.386 2.795 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)CC1 1286501599 YUSBJXNTVJOWPP-UHFFFAOYSA-N 450.008 2.742 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286504309 LPHKAEYPXCLASP-HXUWFJFHSA-N 481.670 2.584 30 10 JFEE C#CCSCCn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1286513005 PQWWMPNKSNLUOW-JPYJTQIMSA-N 479.647 2.648 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1286515147 DZQKIXOZSIZYRQ-RPWUZVMVSA-N 472.611 2.785 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286540389 AFIUEKIAVKYCDP-CYBMUJFWSA-N 489.827 2.780 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1286566275 RQOFNRKEWQGNTO-REWPJTCUSA-N 455.607 2.568 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 1286567646 WBEOQHDYXIWTHD-QTEQDKRBSA-N 453.587 2.843 30 10 JFEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286613357 YLUHTNTXMPCHTO-UHFFFAOYSA-N 482.585 2.533 30 10 JFEE C=C(C)COCCn1c(N2CC[C@@](O)(c3ccccc3F)C2)nnc1[C@]1(OCC)CCOC1 1286614199 NYGGGUCDQUDEJL-ZEQRLZLVSA-N 460.550 2.760 30 10 JFEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC(=O)N2CCOCC2)CC1 1286663836 KMWOREJRTBXCFJ-UHFFFAOYSA-N 455.559 2.517 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1286670756 NBKDXVROCGTFAO-UHFFFAOYSA-N 485.614 2.668 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286701419 ZPNNGOIRLZYJMG-WZONZLPQSA-N 495.646 2.568 30 10 JFEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)CC1 1286707996 LVHDLDCEKHMJBN-UHFFFAOYSA-N 452.519 2.506 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccc(F)cc3F)CC2)C1 1286801144 WNNUDODMGPPFFR-WBVHZDCISA-N 481.569 2.680 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(N(C)C)CCCC2)C1 1286813122 RVUBWKXGFFCHGV-GOSISDBHSA-N 458.632 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286815924 CLHBHWYOIFYVMT-UHFFFAOYSA-N 473.002 2.921 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286823193 MGNAXKXCMOXUBX-PBHICJAKSA-N 492.495 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(COC)CC1 1286823801 YNZRZBPKANKJSY-UHFFFAOYSA-N 457.600 2.745 30 10 JFEE CC(C)NC(=O)Nc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)cc1 1288255043 CSUPAQYBSNPLNX-QFIPXVFZSA-N 451.510 2.699 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC(F)F 1288772607 FHHMCVMIHAXMAP-NWDGAFQWSA-N 476.937 2.930 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)C1 1299031872 BYAJFWUGKLXUQK-CPJSRVTESA-N 477.569 2.587 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300482774 GZCQTZJYIOGXRF-FHWLQOOXSA-N 493.674 2.876 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2cn[nH]c2)CC1 1300719345 XLGZQYUIUPVFCU-UHFFFAOYSA-N 491.596 2.673 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OCC=C)C1 1300740819 FFTMUQAZDMJTRU-SFHVURJKSA-N 474.656 2.694 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300915576 OSHAFACZGXJSMO-REWPJTCUSA-N 487.670 2.852 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1301140943 HLGJKYKXHTXGFZ-UHFFFAOYSA-N 475.615 2.837 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1301253334 YLSBAMGKBYMNAS-UHFFFAOYSA-N 465.558 2.539 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ncccc1F 1301297587 QKPWVFXRJGUBDY-KRWDZBQOSA-N 462.526 2.822 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301350905 CXEBLSJWURTUKM-UYAOXDASSA-N 477.606 2.785 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301359020 CMDQXBBMPFAZDZ-JOCHJYFZSA-N 474.608 2.757 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCCC1 1301390588 KSBUGMKGJKLNOT-UHFFFAOYSA-N 450.591 2.676 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301483518 QDYCVOZTLLTJLU-UHFFFAOYSA-N 467.599 2.656 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccc(OC)cc2)C1 1301558048 SRFWWDPHRBCHOH-NQIIRXRSSA-N 474.627 2.948 30 10 JFEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)s1 1304349424 HVHILXWSDGJEFI-OXJNMPFZSA-N 486.623 2.756 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NCc3ccncc3OCCCN(C)C)ccc2c1=O 1306854101 VRRVGNSLBGFGMB-UHFFFAOYSA-N 453.568 2.527 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)C1 1314006206 IFKMYSWSOKZTAT-GHTZIAJQSA-N 460.629 2.620 30 10 JFEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1315101729 AIZVZRGDLKANPO-CTNGQTDRSA-N 453.543 2.933 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnn3cc(Br)cnc23)cc1 1350628319 IHFXWKGZKGTNGP-UHFFFAOYSA-N 450.318 2.551 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCNC(=O)OC(C)(C)C 1358885563 MLSURKYXTHXMSJ-QGZVFWFLSA-N 479.585 2.955 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1358915992 WHOZFEYANDFRDH-UHFFFAOYSA-N 454.550 2.678 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1358958428 NQVVPANDBAADJC-PGRDOPGGSA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 1358963698 MNYLXRJMQPBAFT-XLIONFOSSA-N 486.638 2.874 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358967837 UGMGFGCIAWBGOH-FCHUYYIVSA-N 485.654 2.585 30 10 JFEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1359026857 MTMQFVLWTKFIPM-UHFFFAOYSA-N 464.614 2.771 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCC)CC1 1359045261 BAQQNNIBIUSIMR-FQEVSTJZSA-N 488.633 2.743 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359104305 ZYERWQVONLCVJJ-FYYLOGMGSA-N 484.649 2.705 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359294757 DEZBUBGRAYALRI-IBGZPJMESA-N 465.558 2.814 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1359305497 FDCVLLUUZXOOBL-ISKFKSNPSA-N 496.656 2.972 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCOCC2)C1 1359325690 KWZJOXGZNARRHW-GOSISDBHSA-N 460.600 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359332585 BIQHCWFXOHYJJS-MJGOQNOKSA-N 466.991 2.614 30 10 JFEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(C)C)CC2)CCO1 1359452134 GWYXALIRLYSBMS-OAQYLSRUSA-N 452.559 2.506 30 10 JFEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359756909 ACNLRVFKMMOTRU-HKBOAZHASA-N 457.600 2.891 30 10 JFEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)C2)c(F)c1 1459145952 FEUQGZXBKMFVHI-ZDUSSCGKSA-N 454.453 2.743 30 10 JFEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 1469340665 DNEYQKUOAGYBGI-SJLPKXTDSA-N 458.563 2.545 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 1469762151 DNFASQZMDXMILM-SVFBPWRDSA-N 467.570 2.952 30 10 JFEE CCC(O)(CC)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@](C)(C#N)C1 1497439581 BBWNELKHVVXPKP-NRFANRHFSA-N 459.620 2.919 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1503476093 FEDIOIBMAHJICK-MSOLQXFVSA-N 461.492 2.621 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2N(C)CCCC2(C)C)C1 1503872208 GINHYGSIWLFMJN-PZJWPPBQSA-N 466.586 2.848 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507520507 DEOIBSOEZYHMNN-HQRMLTQVSA-N 472.571 2.515 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)Br 1507534908 VPJCUUDHGYRXRR-LLVKDONJSA-N 451.275 2.638 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507595102 MKJKWPUOUWRTPT-CRAIPNDOSA-N 458.360 2.748 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507627556 DSIRLRFKTRAQON-QGZVFWFLSA-N 490.029 2.532 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507637539 BOFWWUDBKUFRRP-HSZRJFAPSA-N 499.681 2.914 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1507736814 SWRFCSKWTITZQJ-SFHVURJKSA-N 462.554 2.715 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1507807931 FQTRLJVPYNCQBU-FGSXEWAUSA-N 455.559 2.549 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1507914848 PGNMIPAHZOENHU-SFHVURJKSA-N 480.679 2.862 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1507978260 FHMCKCYXELWBEA-KRWDZBQOSA-N 467.636 2.840 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1507993231 OWTPIIJMXAFVJD-SJLPKXTDSA-N 465.620 2.735 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1508072953 ULAZATPRKZOFFM-UHFFFAOYSA-N 451.506 2.782 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1508104012 GCSXRDHESFYLJT-DSKINZAPSA-N 475.615 2.507 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(=O)NC)C1 1508131689 PGCXNFRZIVFXNE-PMACEKPBSA-N 489.642 2.598 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](CC)C1 1508139427 GPDXIHRNDWZPCQ-SFHVURJKSA-N 457.556 2.816 30 10 JFEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C)c1ccc(Br)cc1 1528498579 YBVQAYKNSIOJPR-KRWDZBQOSA-N 452.374 2.922 30 10 JFEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C(=O)OC 1535098174 OASQXLKOXWFVGI-HXUWFJFHSA-N 450.601 2.945 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)coc1C 1539312604 VPUHOHIZWDVMAK-UHFFFAOYSA-N 450.568 2.959 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(N(C)C)nc2)CC1 1539436028 GSZRBNUHMDYJLC-UHFFFAOYSA-N 465.989 2.872 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1539447878 YEMKKWXWXHIYGG-HNNXBMFYSA-N 454.522 2.645 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2([S@](C)=O)CCC2)CC1 1539470512 SKWGMZFPPJPJKI-YTTGMZPUSA-N 474.030 2.866 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539633017 WIBCWUIYCMVCJE-NJYVYQBISA-N 460.623 2.737 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1539847584 IDBWTLRBBUQSDX-KRWDZBQOSA-N 461.554 2.611 30 10 JFEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 1539938912 CQTHITJEQQMTCW-CTNGQTDRSA-N 481.626 2.861 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1722448109 RQTUEGLHNANEKT-HXUWFJFHSA-N 469.561 2.528 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(N(C)C)CCCC2)CC1 1722448185 VGRKVLIKFFALEQ-UHFFFAOYSA-N 466.605 2.848 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722454961 QKIUWRYVMRJHNT-KRWDZBQOSA-N 457.600 2.776 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1722478891 BHIBMBSNVDWZGY-NVXWUHKLSA-N 484.420 2.845 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722497317 UHJNEBYWMYOCMC-RYRKJORJSA-N 451.980 2.598 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN2CCC(O)CC2)CC1 1722567928 RHKGFIIAJILGJC-OAQYLSRUSA-N 490.649 2.590 30 10 JFEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)CC)C1CC1 1722645352 JUMPQPMQRDRAMJ-UHFFFAOYSA-N 454.394 2.802 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1722663699 GABDCXJNYLEFFV-SJLPKXTDSA-N 465.645 2.911 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCCS1(=O)=O 1722679289 VSGIIOOEKBHGJX-LJQANCHMSA-N 470.599 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1722726674 HQXLOZOFDXXXFH-IBGZPJMESA-N 462.572 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1722729044 DGSPCQRDGUMSGC-UHFFFAOYSA-N 496.637 2.590 30 10 JFEE C[C@@H](CN1CCCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1723870790 HDVQEBPTCQPAPK-SIKLNZKXSA-N 470.643 2.810 30 10 JFEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1724152149 ABDFUFKMIKZJPK-VQIMIIECSA-N 472.977 2.943 30 10 JFEE C[C@@H]1CN(CCCn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1726732573 HHKKCENKTGEWGX-HLIPFELVSA-N 489.418 2.936 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1730629411 FRGXRHQQTACGMJ-KBMIEXCESA-N 484.601 2.955 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cn2)c1 1740561373 DFQBTYWUPOQLQU-SANMLTNESA-N 492.555 2.957 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@@](C)(CC)O2)c1 1740561993 FBMDHMLRDMEZHK-OHUGHZGNSA-N 464.570 2.633 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1740591285 NJRWXXODUOTWFO-XVAXZDLZSA-N 488.633 2.883 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1740622342 XLPVUUHFRBNEMW-HXUWFJFHSA-N 465.579 2.804 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1740622496 YVJHFOVBWRHJAO-HXUWFJFHSA-N 467.620 2.878 30 10 JFEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCc2cccnc21 1740687781 GRUMCKBKQCWJFZ-IBGZPJMESA-N 464.595 2.871 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC2(O)CCCCC2)n1 1740689515 XUVMYHJCDGRAMC-UHFFFAOYSA-N 463.586 2.826 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CC=CCC2)CC1 1740702476 PXAXCSJOWYLQOF-HXUWFJFHSA-N 480.588 2.785 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nccs2)C1 1740749690 CGYSLEUZPQLCOH-KKUMJFAQSA-N 470.393 2.945 30 10 JFEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCN(CC)CC)CC1 1740824270 YDBMUFQTGQVAKJ-UHFFFAOYSA-N 465.602 2.707 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740837078 PXTJHLZSBMZKDT-LJQANCHMSA-N 475.615 2.789 30 10 JFEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740879033 DHNPAIJUYINJGU-LJQANCHMSA-N 464.574 2.972 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)CC1)C(C)C 1740926434 GVHKHXGMIWOUNU-NFBKMPQASA-N 480.613 2.816 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740944198 YYVVJYNJMVEKEO-SFHVURJKSA-N 474.612 2.724 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1740952365 BFRSGBRGRKYYBS-QGZVFWFLSA-N 473.549 2.981 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1740952600 JCHYGECFOXQZIA-UHFFFAOYSA-N 475.597 2.845 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)N2CCOCC2)C1 1740984889 LPQCDFCYJQUVDI-LJQANCHMSA-N 457.600 2.519 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C1 1740985417 HMXHCPKJZVDAIC-QBVRBKIRSA-N 460.550 2.830 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740997058 LYPOZPQUPPBDFO-UHFFFAOYSA-N 480.616 2.633 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1cccs1)N1CCOCC1 1741664380 AZPWMILOJVOECG-JPYJTQIMSA-N 471.631 2.681 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1742937269 HFMGCYBGEIMQOT-VXKWHMMOSA-N 492.672 2.983 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1743012134 DOJFJOBDSBQLBS-IBVKSMDESA-N 493.660 2.520 30 10 JFEE CCN(CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1746164255 ATOKNNOQOBMTPB-QHCPKHFHSA-N 478.645 2.545 30 10 JFEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1748481481 IAWFVJSKNJKIMR-QHCPKHFHSA-N 450.547 2.793 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC(C)C)cc2)CC1 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C#CCN(c1nnc(Cc2ccncc2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190018 NTCRBXHPYCQAIE-QHCPKHFHSA-N 463.607 2.914 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760220892 DTNVIJDCYZYDNP-RJGXRXQPSA-N 490.608 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nc(C)cs2)CC1 1760266944 BSSSOVMRHBMDAR-UHFFFAOYSA-N 455.975 2.773 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760277366 ILLWCONVPZGXHC-GOSISDBHSA-N 455.584 2.925 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1 1760322600 UYQAJENEULJVLR-OPYAIIAOSA-N 478.590 2.946 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1760374419 OGXQKJHISQGLEA-NVXWUHKLSA-N 472.036 2.637 30 10 JFEE C=C(Cl)Cn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1760380412 AWNOTEOSPUURJF-QFIPXVFZSA-N 496.033 2.502 30 10 JFEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNS(=O)(=O)CC)CC1 1760383906 CUVALRWIPTYKFM-UHFFFAOYSA-N 471.425 2.532 30 10 JFEE 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2.641 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1301577593 QLXVZKNWQWYSNY-IBGZPJMESA-N 498.378 2.759 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1301587032 WWGLIESCBGIASB-SJLPKXTDSA-N 467.636 2.886 30 10 JFEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCSCC2)CCCC1 1303644110 DMCCEONDYSLIIT-SFHVURJKSA-N 467.643 2.878 30 10 JFEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)n1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 1307301271 GHPVWRQYJIIUIG-QRWLVFNGSA-N 451.918 2.971 30 10 JFEE CC(=O)N1CCc2ccc(S(=O)(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2CC1 1309266753 REVPVYUYDPKEOP-UHFFFAOYSA-N 450.482 2.983 30 10 JFEE C[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1cc(F)ccc1N1CCC(O)CC1 1311782705 CIZNWDYRTLKAKC-KRWDZBQOSA-N 452.534 2.646 30 10 JFEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1 1312484993 FUNVXMHEDYDWFN-PGRDOPGGSA-N 451.571 2.734 30 10 JFEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1315770489 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30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCCC2)CC1 1301478974 RYWMNDJOECTMEY-UHFFFAOYSA-N 479.629 2.904 30 10 JFEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CC1 1302438332 FWSDEYOEPMGMIG-QGZVFWFLSA-N 463.654 2.679 30 10 JFEE COC(=O)CCN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)[C@@H](C)C1 1307628109 HYHLNROJDPZTSI-INIZCTEOSA-N 455.534 2.613 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCCC2(C)C)cc(OC)c1OC 1315304949 GFFGRMMUILDNAN-BXKMTCNYSA-N 471.558 2.641 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H](C)O1 1315934121 HGJDTLJIAHBELG-HQRMLTQVSA-N 478.519 2.941 30 10 JFEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCOc2ccc(Cl)cn2)CCO1 1316539740 GBJTUVYZSGUFLN-MRXNPFEDSA-N 458.881 2.852 30 10 JFEE COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2C#N)cc1 1350995793 CJLBOUCLSKTCNM-LBPRGKRZSA-N 452.330 2.886 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1C1OCCO1 1358896545 GZTLMSOPDQAJQY-MRXNPFEDSA-N 451.552 2.821 30 10 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N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1473107731 CRWRUCQOQLAAFB-UHFFFAOYSA-N 451.470 2.809 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCCNC3=O)cc2)cc1 1475973430 IDTFLUANXBZYMI-UHFFFAOYSA-N 457.556 2.735 30 10 JFEE COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c(OC)n1 1504274679 CDPDHUFNQNRLQK-UHFFFAOYSA-N 476.585 2.920 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507590426 ZGVGDYTUNIFRQM-UHFFFAOYSA-N 488.614 2.697 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507625424 ITIUXOBXONLKGM-QZTJIDSGSA-N 478.590 2.999 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507635029 OZRZZFISOJFRIU-FQEVSTJZSA-N 471.533 2.683 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1507637432 AVSWTFFFGFKGDI-LJQANCHMSA-N 489.598 2.631 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507790389 IBPVNKWSZZZMHY-CVEARBPZSA-N 460.288 2.751 30 10 JFEE 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455.609 2.729 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539219520 DCTOLGOYYHXDRB-OPYAIIAOSA-N 476.574 2.753 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(-n2cncn2)nc1 1539291097 WAMARRDLOQPRIG-UHFFFAOYSA-N 452.522 2.571 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)[C@@H](C)CC 1539315444 MSFPYRNOWLBKNU-SIBVEZHUSA-N 460.582 2.935 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCCC2(C)C)CC1 1539490656 YRDBIEMWOVVYDB-SANMLTNESA-N 483.588 2.903 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)C1 1539622054 VCMYRJUKHSNQDB-AUUYWEPGSA-N 476.375 2.634 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1539622983 YYVXKIWTVUUJHC-FCEWJHQRSA-N 491.434 2.990 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)Cc1ccco1 1539704435 CIFLHKSUFPLMDS-NRFANRHFSA-N 471.583 2.987 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1539775287 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C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1540906973 IGPZOPGAEHCYIS-HXUWFJFHSA-N 474.627 2.632 30 10 JFEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1541690346 AKDKAZLFNIEMGQ-UHFFFAOYSA-N 452.559 2.650 30 10 JFEE C[C@H](CN1CCCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1541871359 CLMWJDHKIJCITF-VGOFRKELSA-N 460.579 2.522 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1541881293 BPJWMHGQXOXWAU-IBGZPJMESA-N 469.609 2.881 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCC[C@H](C)C2)cc1C 1542430658 CIVCOCDTIKRJCM-UCNVEGJOSA-N 465.602 2.996 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 1568115131 XIZMJYBPCBTVMP-WBVHZDCISA-N 459.996 2.896 30 10 JFEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1587749760 MTTABDJVRUFGJJ-UHFFFAOYSA-N 464.545 2.954 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1587818542 ZJNZZUINBCJGIC-UHFFFAOYSA-N 457.538 2.969 30 10 JFEE C#CCCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587893548 FTFAKBDUYHHVFS-CEXWTWQISA-N 454.579 2.895 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CN(CC(C)C)CCO1 1588189264 GRSBVVXLXCPZFX-HXUWFJFHSA-N 487.446 2.866 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCSCC1 1588218919 HWFJMOUALUCBOB-UHFFFAOYSA-N 489.649 2.577 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)CCCO2 1588581288 MPHHIIUUKVYHFW-RUZDIDTESA-N 454.571 2.778 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1588741344 BJJDMOWRXQDAAP-IBGZPJMESA-N 468.577 2.571 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C(C)C)N2CCCC2)CC1 1588780908 YKHQCMGNPDCMER-QHCPKHFHSA-N 466.630 2.838 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Oc2ccccc2C)CC1 1588864634 ICKGVWKIHLKABT-HXUWFJFHSA-N 478.622 2.801 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1589048249 ZQHCOROBIFLQND-QGZVFWFLSA-N 459.620 2.786 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1589590595 XFVOUHOCVSHUPF-CEXWTWQISA-N 476.622 2.843 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](COC)C1 1594807386 NEVPZBAUMBMPGU-GOSISDBHSA-N 452.559 2.648 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCOC1 1595283773 XJMGWNPEYIQSTH-FQEVSTJZSA-N 467.364 2.506 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1595405116 CUFGWVTVEJATJE-MOPGFXCFSA-N 476.622 2.905 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1595442689 XSSWQYQTSIIAMB-KRWDZBQOSA-N 496.431 2.810 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1595785325 XCDHTBKXCFDSHP-QFBILLFUSA-N 459.597 2.969 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1595798224 NUYDJRJLCOSVQP-JOCHJYFZSA-N 491.633 2.972 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1607592951 GKKFAPDCUVXMFS-PKTZIBPZSA-N 452.603 2.539 30 10 JFEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CCOC1 1619061675 DONVMBQVKILYTN-VGSWGCGISA-N 494.518 2.607 30 10 JFEE CN1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)cc2)CC1 1621647985 GDYZTWOOSSHPAA-UHFFFAOYSA-N 452.502 2.803 30 10 JFEE C#C[C@@H](NC(=O)[C@H](CCC)NC(=O)NCc1ccc(Br)cc1)C1CCOCC1 1633417395 FFTVQDOVYYGYMM-MOPGFXCFSA-N 450.377 2.962 30 10 JFEE C#CCN(CC1CC1)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1 1636498374 JZQRQMODYPIOJG-UHFFFAOYSA-N 458.536 2.999 30 10 JFEE C=C[C@H]1CCCCN1CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1653467787 XTHZJXCQOZQEGT-TYSUYXETSA-N 459.568 2.897 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)Cc2cccs2)c1 1653702514 WPFVEWCGENFHSP-UHFFFAOYSA-N 451.573 2.973 30 10 JFEE C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)OCC 1665796913 GWGQXIHLBNCTLR-VQTJNVASSA-N 452.573 2.995 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC[C@@H]2C)c1 1689868514 IXGQGMHQENIIPR-KDYSTLNUSA-N 494.640 2.859 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1689875011 HZCJJBHLUZYKAB-UHFFFAOYSA-N 475.553 2.901 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)N1CCCC1 1690020077 YGDWEHSWTHSJNU-FCHUYYIVSA-N 484.645 2.780 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1690065233 QBKCRVLHHLFSFX-OAHLLOKOSA-N 451.390 2.910 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN1CCOCC1 1690100841 DZPUGCDLPHVQLL-UHFFFAOYSA-N 460.582 2.615 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1690113866 WUCBCHNDAWDZRY-DENIHFKCSA-N 451.562 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCOC2)CC1 1690140357 WMHFEIKKONRLTE-KRWDZBQOSA-N 471.989 3.000 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690182516 AXWXAVCKODPHDR-QFIPXVFZSA-N 468.671 2.748 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1690234372 BZEBKRPXGAKPIW-GJZGRUSLSA-N 483.411 2.926 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690304864 PPFWSOICAHOXGL-UHFFFAOYSA-N 488.596 2.789 30 10 JFEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690473949 MDAJDNPPGAOXGL-UHFFFAOYSA-N 468.602 2.673 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C(=O)OC)C1 1690660205 BLDKYZRRDHJNOV-KRWDZBQOSA-N 466.567 2.679 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690683113 BMPRSTAAYFVWRV-PZJWPPBQSA-N 475.615 2.651 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCOCC2)C1 1690715745 SUZBNUKIRMITAH-SFHVURJKSA-N 494.589 2.544 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1690717567 JUDUHTWQBASYGE-FQEVSTJZSA-N 489.642 2.628 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1690722607 PEXPJCQCZKOPKL-OAQYLSRUSA-N 479.610 2.610 30 10 JFEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690749851 RHJRNIPLIDDGFW-UHFFFAOYSA-N 460.673 2.594 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690752351 FIGXIXHZXVXJDC-IAGOWNOFSA-N 476.647 2.637 30 10 JFEE CC(=O)N1CCC(Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(CCC#N)CCC(C)C)CC1 1690797556 HSVLJTSEQBRVIA-UHFFFAOYSA-N 490.616 2.945 30 10 JFEE CCN(CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1695659198 HQTIQVAFLIQJFE-UHFFFAOYSA-N 465.581 2.748 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1695902910 ADSFSRVKUONSQT-CJFMBICVSA-N 485.608 2.581 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1695916698 FNJDNGVOPSPMFV-IEBWSBKVSA-N 454.575 2.895 30 10 JFEE COc1ccc(OCCn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)cc1 1697496418 AQENHCMTQXXEFI-UHFFFAOYSA-N 478.601 2.903 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1705490031 BCSOHQWKXRSXCM-OAHLLOKOSA-N 450.934 2.683 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705558168 LXYGVKWPMRQXRR-SFHVURJKSA-N 499.616 2.674 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1705571145 XEFQXTGEZMTBKL-HXUWFJFHSA-N 469.998 2.787 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C(C)C)N1CCCC1 1705626548 AAADLYHQQQFQQD-NRFANRHFSA-N 463.586 2.800 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1705727083 DWYUYIZHWZIIPA-WOJBJXKFSA-N 499.685 2.663 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1705826565 GAJDPHREJHXHKP-UHFFFAOYSA-N 486.436 2.652 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO)C1CC1 1705854690 YPADUBXMCROCFL-RTWAWAEBSA-N 490.649 2.588 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705939844 OBUUZXWMXPCDKT-KRWDZBQOSA-N 472.640 2.973 30 10 JFEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1706021006 CMSWIPHSMIYBPD-ICSRJNTNSA-N 475.519 2.806 30 10 JFEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1706655667 AEEJNRBBQFZFPP-HXUWFJFHSA-N 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C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2C(C)C)cc1 1722705500 ZNQUAWPJZBTBNF-YADHBBJMSA-N 489.642 2.849 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(F)(F)F)cc2)C1 1722711825 XINHGXWDOFMGTA-WMLDXEAASA-N 473.521 2.737 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(c2cnn(C)c2)CC1 1722725595 ONSBIBCKFBXTJK-UHFFFAOYSA-N 454.600 2.972 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](CNS(C)(=O)=O)C3)nnc2C(C)(C)C)cc1 1722730934 HZNIVORJOYKBBW-IBGZPJMESA-N 461.632 2.954 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722733173 XYGZZDMEQXKRTB-UHFFFAOYSA-N 483.623 2.869 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722739335 HFVOZDSHVRMBNO-XMMPIXPASA-N 492.690 2.966 30 10 JFEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)C[C@H]2C)CC1 1722779398 YXHANTLXOYXNLM-YKSBVNFPSA-N 479.629 2.621 30 10 JFEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1722807879 FPRJEQXGBYSSCA-UHFFFAOYSA-N 465.602 2.863 30 10 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458.353 2.882 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2noc(CC)n2)CC1 1740692192 HQFGTFXBAXKUSK-UHFFFAOYSA-N 488.365 2.790 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCOC[C@@H]2C)CC1 1740700543 VSONAOHOEJQMGT-LEWJYISDSA-N 453.587 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccsc2)N(C)C)CC1 1740703952 DMYYGQGVSRHWAI-JOCHJYFZSA-N 477.638 2.979 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1740737300 HGCFHCKKDHAYNM-INIZCTEOSA-N 481.439 2.800 30 10 JFEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740743106 MBXAMLLOZGBZOG-DYVFJYSZSA-N 473.375 2.791 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740791024 RGNLGZXFHHJMTL-KRWDZBQOSA-N 478.391 2.642 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1740834890 ANMAVIGHQUFCSK-DEOSSOPVSA-N 489.642 2.700 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCC1)C1CC1 1740908167 NEEWBKWZJSORRD-UHFFFAOYSA-N 458.632 2.836 30 10 JFEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCCOC)C1 1740945989 FEOUIWAXEUCYFZ-GOSISDBHSA-N 452.559 2.911 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C)c1 1740960569 VBZFXCHMFGVVIW-UHFFFAOYSA-N 460.586 2.699 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 1740969783 BDOODBKCVBABMC-RTWAWAEBSA-N 456.566 2.737 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1740984479 CIFNOZONSPAXMQ-SFTDATJTSA-N 476.599 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740994830 UUHDYXMQVHMRAB-INIZCTEOSA-N 463.570 2.684 30 10 JFEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1743382260 FVMKCVOVBCCOGS-BBEJJTJUSA-N 482.766 2.630 30 10 JFEE CCN(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)c1ccco1 1746085505 CLULJOSNEOALEE-NRFANRHFSA-N 498.609 2.640 30 10 JFEE CCOc1cccc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CC2)n1 1746862388 CSWBBVOJTUGWPB-UHFFFAOYSA-N 488.596 2.852 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCOC[C@H]2C)c1 1748690433 RIKGEJCXJXOCMW-QUCCMNQESA-N 480.613 2.925 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCNC(=O)OC(C)(C)C)c1 1748692773 NZFBSKCOFZILHG-IBGZPJMESA-N 482.585 2.753 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1748706553 MINXMFSLEIHBGL-NRFANRHFSA-N 480.613 2.509 30 10 JFEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1748718737 NUNDGGJVZAJHBJ-UHFFFAOYSA-N 483.686 2.962 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1748751496 IFHCFOGRVIIPMY-NRFANRHFSA-N 496.612 2.996 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748810209 TYPXLOPTXINNPQ-KRWDZBQOSA-N 450.008 2.565 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1748811325 DUDLWZGAQNBBHV-FQEVSTJZSA-N 463.563 2.580 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCn2cc(C)nc21 1748901079 RJHPNMYWKRNMKW-LJQANCHMSA-N 461.595 2.815 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCC(F)(F)F 1748948503 PHGZCJYEYXUXLS-UHFFFAOYSA-N 465.476 2.590 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1748993886 PTKQKPCGTVCKTI-GOSISDBHSA-N 458.632 2.941 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCn2cc(Br)cn2)CC1 1748994777 QQMPMEOKWDDQCT-UHFFFAOYSA-N 498.429 2.704 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1749016739 MPYZOOJLBJPIKQ-OAQYLSRUSA-N 495.628 2.533 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749046744 FFBQPABHTPEMGO-UHFFFAOYSA-N 477.569 2.956 30 10 JFEE C=C(C)Cn1c(C2CC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749187394 GYZDYMJZFCQBFS-KRWDZBQOSA-N 465.620 2.640 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 1749403087 WKSVDONXTVATKI-FCHUYYIVSA-N 489.642 2.854 30 10 JFEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749403686 HPWRBTOYGMZWJC-UHFFFAOYSA-N 452.650 2.850 30 10 JFEE COCCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCO[C@H](C#N)C2)CC1 1749625206 ABYBXOQPSQMPHF-LJQANCHMSA-N 474.606 2.938 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@@H]2COCCO2)C1 1749711743 BZOFMDSZHBOBIN-NHCUHLMSSA-N 491.633 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(c2ccc(O)cc2)CC1 1749741192 SOACTGXNXQYREI-UNMCSNQZSA-N 488.610 2.602 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1760129039 CWCIWXGUZBESKF-UHFFFAOYSA-N 457.623 2.821 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760185684 BFKSKRBBUMOIFO-PXDATVDWSA-N 470.639 2.745 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760187749 FSXAYGCCBDMGLY-HXUWFJFHSA-N 483.569 2.883 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1760191282 DWEWCPOGZKBZNS-IBGZPJMESA-N 498.678 2.887 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760196192 FSFOLUYACFNALA-FQEVSTJZSA-N 456.554 2.527 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CCCCC1)N(C)C 1760200616 PHWKGUCAMWWXSR-QFIPXVFZSA-N 481.670 2.822 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1760261561 SZMJZWTYVNZTPM-KNQAVFIVSA-N 496.660 2.540 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1760266110 QDFKRMPMAAKYTQ-GOSISDBHSA-N 450.587 2.508 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1760298473 JSGFFHVWUSOFFG-NBGIEHNGSA-N 451.571 2.653 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760318820 PWXOWTRWNWWVGS-DENIHFKCSA-N 473.021 2.790 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC(CC(N)=O)CC1 1760325614 RSFOQJLPURMKRQ-NTKDMRAZSA-N 469.586 2.939 30 10 JFEE C=C(C)COCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760361286 JBYQAAXCTHZORN-CEXWTWQISA-N 497.662 2.655 30 10 JFEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)c1ccccc1 1760363016 CCRYMGNMKFEESV-IFMALSPDSA-N 473.643 2.993 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760368564 GVIMJXZKNAQJBZ-KRWDZBQOSA-N 477.009 2.752 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760445568 OCHYFHXETXYFJZ-UHFFFAOYSA-N 472.634 2.726 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1760516224 YMBJXMXRRLIBID-QGZVFWFLSA-N 479.610 2.771 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1760529595 CNLWHRSNPDYEQG-UHFFFAOYSA-N 462.554 2.685 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760532503 WQUQWODEXJGJHP-LJQANCHMSA-N 454.575 2.524 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](OC)C(C)C)C1 1760545282 RGKJNWAMQUPQNT-PXNSSMCTSA-N 452.559 2.644 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1760547621 OEMUZFKEFRFHHH-PMACEKPBSA-N 455.559 2.562 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1760554685 KATNUHHXAWSDON-UHFFFAOYSA-N 456.616 2.666 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760556641 KUUYFQZHNCTISB-UHFFFAOYSA-N 481.644 2.588 30 10 JFEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1760562585 OQGBOYZNERETGP-UHFFFAOYSA-N 494.669 2.975 30 10 JFEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760567164 QWANGCTYQUHRSL-GOSISDBHSA-N 450.630 2.810 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCOCC1 1760696386 HZWBSESXLSXLKJ-OAQYLSRUSA-N 451.619 2.665 30 10 JFEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1760711392 HTOMHEZLVNKXEZ-OAQYLSRUSA-N 479.629 2.956 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1761439144 AOBHANHTGKXLDG-JXQFQVJHSA-N 491.612 2.760 30 10 JFEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1763721822 DQTFURDAUTXCHD-RUZDIDTESA-N 452.603 2.916 30 10 JFEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1)OC 1765563757 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461.570 2.952 30 10 JFEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1286775063 XOMVABPKFVGLQG-GJZGRUSLSA-N 451.618 2.698 30 10 JFEE C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1288672785 CRLCUCSPSZYOOO-CRAIPNDOSA-N 454.531 2.941 30 10 JFEE C[C@@H]1CN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1291287549 DNLNMYNIJPIKOU-AQNXPRMDSA-N 472.565 2.787 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300502849 YONQXMKKAWKPDJ-IAGOWNOFSA-N 454.568 2.993 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C(C)C)N1CCOCC1 1300506786 YTFSVDWOJFSURK-HSZRJFAPSA-N 462.598 2.577 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1300511036 FPUPZKONUDTTGX-NAKRPHOHSA-N 491.636 2.683 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCn1cc(CO)nn1 1300563461 JZRTUBSWMMIACZ-GOSISDBHSA-N 463.611 2.768 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1N(C)CCCC1(C)C 1300578378 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C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1300991701 PPPDAUOGEYHFRG-QGZVFWFLSA-N 481.557 2.902 30 10 JFEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301067367 ZCISZXIITSHOFN-KRWDZBQOSA-N 490.561 2.821 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@H]1CC 1301143361 JHAOUGLRGARRBS-LJQANCHMSA-N 474.631 2.513 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1301258358 QPFPNEHTTKLVBX-RBUKOAKNSA-N 493.605 2.569 30 10 JFEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1)C1CC1 1301317684 YUFDRPFDTMTOBJ-UHFFFAOYSA-N 454.394 2.778 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1301483627 RKTKQCTZSAPQQO-UHFFFAOYSA-N 473.574 2.667 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2CCC(OC)CC2)C1 1301556426 IVDCUWNMNIAJLU-JOCHJYFZSA-N 454.619 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301568406 GFDAJYKGTCJXLS-SJLPKXTDSA-N 498.447 2.795 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301613149 UPDYLAGBDDGIAI-QGZVFWFLSA-N 455.584 2.824 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2Cc2ccc(C(N)=O)nc2)cc1 1302988822 APEVPFIFFTYSDQ-GOSISDBHSA-N 485.470 2.907 30 10 JFEE C=CC1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)CC1 1307474823 ZMPZTYQDSYSNGL-XSFVSMFZSA-N 459.568 2.754 30 10 JFEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NCC)CC2)cn1 1313513447 HAYVZAFKTKMDAZ-UHFFFAOYSA-N 474.569 2.900 30 10 JFEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)ccc1OC(C)C 1315298680 FOKLQEUQJWCLSC-OAQYLSRUSA-N 466.464 2.564 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(F)(F)C1(OC)CCOCC1 1358887447 XHDDLCOHBGAINO-OAHLLOKOSA-N 472.496 2.883 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)c1 1358901585 PNJMZBNYNVYPQA-UHFFFAOYSA-N 494.640 2.728 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1cccnc1Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358963452 IIPWNYPXARIUHV-IBGZPJMESA-N 469.542 2.842 30 10 JFEE 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30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1360769380 HWTHQNIOWPTXPW-SBUREZEXSA-N 460.529 2.846 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 1473111159 PNBXHEDRBJMXMA-UHFFFAOYSA-N 451.482 2.952 30 10 JFEE Cc1cccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)n1 1492528216 HGJXFWPMOYPOKY-NRFANRHFSA-N 450.568 2.776 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C(C)C)N1CCOCC1 1495773219 HKYSKNWZMGHESY-VWPQPMDRSA-N 481.649 2.525 30 10 JFEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1503366686 DJDWXIYMAIHXOV-UHFFFAOYSA-N 467.574 2.789 30 10 JFEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CC1 1503398423 HXZBUJBESCNLGL-UHFFFAOYSA-N 492.672 2.572 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCn1cc(Br)cn1 1507539143 RMZVYQYREPCAQK-RDTXWAMCSA-N 457.332 2.908 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCCC2)c1 1507551724 YMYPAXCEDLYICN-NRFANRHFSA-N 499.637 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COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)n2)ccc1OC(C)C 1517963204 IEYIKPGCEKBOCR-HSZRJFAPSA-N 468.537 2.944 30 10 JFEE C#CC[C@]1(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCCN1C(=O)OC(C)(C)C 1519864513 FZJKGWOXJPTTNT-RUZDIDTESA-N 455.555 2.568 30 10 JFEE O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 1534275980 DESQNURXXHJZBU-NSHDSACASA-N 453.318 2.708 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2CCN(C(=O)OC)CC2)c1 1539038127 LTAHMDXBCPCZNH-UHFFFAOYSA-N 452.559 2.936 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539204668 BCIWIUUZWYTQNP-PKOBYXMFSA-N 493.580 2.515 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(N)=O)CCCC1 1539405923 PZPSJJWQUXADKR-UHFFFAOYSA-N 490.402 2.848 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1539633603 ZQXFMILOWICSBG-NJYVYQBISA-N 491.633 2.776 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539635933 INCCJJGGNWAFLO-DYESRHJHSA-N 494.687 2.523 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1539668788 FTWPBOPXIHYGPK-IEGUWTFLSA-N 465.595 2.529 30 10 JFEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1539999070 XBCCWVQTHBABRG-NRFANRHFSA-N 465.602 2.519 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C 1540121274 QMKNFGNFZUTHHN-FQEVSTJZSA-N 466.586 2.516 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1540182278 NBGYWPZTIMXPBJ-QHCPKHFHSA-N 464.614 2.894 30 10 JFEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 1540578412 HVJCCZNWXSMGFU-UHFFFAOYSA-N 456.458 2.950 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1540866621 UROSVGKAQTXLNB-LJQANCHMSA-N 455.559 2.517 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1540866770 ZLPFXHZSAJNXEG-UHFFFAOYSA-N 499.978 2.766 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2Cl)CC1 1540873099 MQASDNXFVIOPRB-UHFFFAOYSA-N 451.962 2.546 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCc2c(ccnc2N(C)C)C1 1540875402 KVGYMZLTQDXFHM-UHFFFAOYSA-N 475.597 2.745 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2COCCO2)C1 1540886423 CPPVBBKSIGTVIN-WOJBJXKFSA-N 458.559 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1nncn1C 1540898238 DMUDWICMNFRYJC-WOJBJXKFSA-N 469.615 2.891 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540904316 LYMWLRPBPYGWOB-NRFANRHFSA-N 483.619 2.981 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(=O)N(C)C 1541115868 GHECTJIVPBOGRB-KRWDZBQOSA-N 461.611 2.857 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1541236920 DRWNPMQSWOAKRO-TZIWHRDSSA-N 458.607 2.576 30 10 JFEE Cc1ccoc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1542093974 DLFOORXTABWAMA-UHFFFAOYSA-N 451.506 2.703 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(Cl)cn1 1554164858 AQMAJIVTMPNYQP-SFHVURJKSA-N 451.918 2.865 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)ccc1F 1570327906 CIYRLTSTEHBJRT-KRWDZBQOSA-N 455.552 2.808 30 10 JFEE C#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Cl)cc1F 1584727363 KTLGTTFFFJDUEX-KRWDZBQOSA-N 456.948 2.595 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)CN1CCN(CC)CC1 1587614589 KXQVWUPLZNHCOT-YADHBBJMSA-N 460.630 2.862 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN(C)C(=O)OC(C)(C)C 1587668227 VPDZJEBLDQHBOK-INIZCTEOSA-N 460.604 2.985 30 10 JFEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1587872271 CQMNTZVMKDBKGV-UHFFFAOYSA-N 457.582 2.687 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588030302 SIDWQTNMTVLRIG-SFHVURJKSA-N 454.600 2.642 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1588059289 LDTWFMJLPZAXLT-OAQYLSRUSA-N 485.654 2.682 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1588480782 CXIJYZVHDYCIJY-NRFANRHFSA-N 485.514 2.870 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1588761959 COQBMVYCFBLFBP-OAQYLSRUSA-N 468.602 2.870 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCCC[C@H]2CC)CC1 1588864905 LOOWTYYIFKQMBO-HSZRJFAPSA-N 450.631 2.919 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2CCN(CCC)CC2)CC1 1588864938 MKEIONVXHFCRFJ-UHFFFAOYSA-N 450.631 2.777 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1589483593 PBYVQCHNKDEPBM-ZWKOTPCHSA-N 481.439 2.561 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1589544595 IXECDNCEVUMMAV-YLJYHZDGSA-N 450.992 2.738 30 10 JFEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594727371 OVQKSCHPXTUZRA-RBUKOAKNSA-N 496.678 2.829 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1594807076 CVGUNSKWEDWTII-QGZVFWFLSA-N 486.598 2.590 30 10 JFEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1594866576 FIAMYPMMVJVQTJ-LYXWCMDISA-N 477.606 2.577 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1595250589 IBYAGTXEDJJHOY-IBGZPJMESA-N 477.491 2.826 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1595267386 USHRALGUWXZRDK-GOSISDBHSA-N 462.595 2.552 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1611984118 HUZKAHKTPHFVGK-WOJBJXKFSA-N 487.626 2.843 30 10 JFEE Cc1ccc(OC(F)F)c(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1612116356 HSEOYMNPKOCUQY-OAHLLOKOSA-N 454.485 2.921 30 10 JFEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C2CCCC2)CC1 1615328582 GIAQRWDJGUHCKG-UHFFFAOYSA-N 492.672 2.682 30 10 JFEE Cc1cc(-c2noc([C@H](C)NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)n2)ccc1F 1633177213 BQSJXLGCASIGOR-HNNXBMFYSA-N 452.494 2.691 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1635310407 IVWZCEWKXDDHDB-MGPUTAFESA-N 456.524 2.780 30 10 JFEE C=CCn1c(SCC(=O)N=[S@](C)(=O)N(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640556078 JLLDICMKLKNCKL-AOAWJKDVSA-N 454.643 2.962 30 10 JFEE COC(=O)c1cccc(CN(C(C)=O)S(=O)(=O)c2ccc(Br)cc2)c1C#N 1651911757 GRSDVTAIWIHTOM-UHFFFAOYSA-N 451.298 2.845 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccc(COC3CCOCC3)cc2)C1 1680871535 CKOCLVIQOHLQMD-CTNGQTDRSA-N 458.559 2.940 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1689834880 AZYFETAHSDFQOS-IAGOWNOFSA-N 498.575 2.538 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1689930132 LFKCJDMBTNCHHE-AOMIVXANSA-N 493.674 2.589 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689937195 RSFWGFGXWYBAGC-UHFFFAOYSA-N 494.640 2.876 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689986367 OBAKQOKFACTPBL-QFIPXVFZSA-N 455.628 2.836 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1689996328 HJPBFWTXUPGKKO-CEXWTWQISA-N 458.584 2.854 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCC(O)CC1 1690095482 RNPSZINSTHTTOZ-UHFFFAOYSA-N 462.598 2.735 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(COC)CCC2)CC1 1690114775 HAZKCKPTJOXSAZ-UHFFFAOYSA-N 461.408 2.998 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(NC(C)=O)nc2)CC1 1690119460 GFBCKAAQWXKAOA-UHFFFAOYSA-N 494.397 2.865 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1690120321 QJJKIBMGKFPEKJ-UHFFFAOYSA-N 460.586 2.617 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)COc2ccccc2OC)CC1 1690129273 SZRWUZQUVABGGY-OAQYLSRUSA-N 460.582 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1690135034 OSUOPJKRVKCOJZ-OAQYLSRUSA-N 499.015 2.521 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1690188951 QUXROVWFWTUXCL-LJQANCHMSA-N 460.003 2.998 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690193236 JCEVEBQNAWKKPU-IEGUWTFLSA-N 475.590 2.831 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 1690238482 KCVNZIUVGCMMGG-GHTZIAJQSA-N 489.642 2.681 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690471234 XZUOBHLYVZBFQX-LJQANCHMSA-N 460.604 2.631 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCN(C(C)=O)CC2)C1 1690689949 OMHBNHFYWYIROR-OAQYLSRUSA-N 454.531 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690719189 HTUNYTXLSVRLFG-HSZRJFAPSA-N 498.653 2.827 30 10 JFEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)Oc1cccc(F)c1 1692691314 BFARCJZRYZTQKR-HZPDHXFCSA-N 464.567 2.625 30 10 JFEE CC[C@@H](C)N(C)CCn1c(-c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1694194840 AGNCFOHSKIWGAU-LJQANCHMSA-N 461.618 2.916 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1705550510 LONKRXMQVMNDPF-QGZVFWFLSA-N 489.646 2.811 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705568342 LKVVTRSUKYWZNV-OAQYLSRUSA-N 495.605 2.553 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC1CCN(C(C)=O)CC1 1705586909 AOPRKRYMTXLLMR-UHFFFAOYSA-N 451.596 2.910 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1705591154 HMKFBXULZDSRSC-QHCPKHFHSA-N 496.681 2.779 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCN1CCOC(C)(C)C1 1705624553 FNBSCAWMBYOZLV-UHFFFAOYSA-N 476.419 2.904 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1705637327 RXLUQQFVIFQHQU-PMACEKPBSA-N 453.587 2.923 30 10 JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705657776 QPUKAIILJSHDGS-BGYRXZFFSA-N 456.660 2.976 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)CC1 1705685231 RZINKDINPWQZKF-UHFFFAOYSA-N 451.369 2.692 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1705710937 VBMOHQDVTHREGG-QGZVFWFLSA-N 451.568 2.995 30 10 JFEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1705827022 QSFAJBDFXMPFKX-QGZVFWFLSA-N 496.381 2.781 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705902210 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C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722482686 JNLRSWNECZMXNQ-IRXDYDNUSA-N 452.397 2.823 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722484136 GOCQFKNXJOVDHW-UHFFFAOYSA-N 491.434 2.853 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722497316 UHJNEBYWMYOCMC-NUJGCVRESA-N 451.980 2.598 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722620165 NZSPTUYMFWNDLD-UHFFFAOYSA-N 486.627 2.942 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722620587 SKULFEJQWVQTDB-UHFFFAOYSA-N 452.588 2.661 30 10 JFEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722624256 YGVYZNQOTONNKC-HXUWFJFHSA-N 470.618 2.962 30 10 JFEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722687955 XKYYKPPEKXZCDI-OAQYLSRUSA-N 459.616 2.916 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)C1 1722714472 NNJIKEFBDRKGGM-MAUKXSAKSA-N 492.502 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1722724725 DLFJTCXFUJBZKA-WIYYLYMNSA-N 487.626 2.711 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@H]2C1 1722735698 SMODRAJINCXGQX-FQEVSTJZSA-N 490.699 2.789 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722739816 IVEGWHRHVXMMPX-ROUUACIJSA-N 469.615 2.707 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1722740850 UAWNTBBPFDKTBS-IBGZPJMESA-N 455.584 2.953 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CC1([S@](C)=O)CC1 1730750075 HYHRYZFVMXREBU-YTTGMZPUSA-N 452.584 2.719 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1740542878 DCFOLUAEKCMLON-VQTJNVASSA-N 454.619 2.836 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1740621595 OASHGKMQYJVVNI-NRFANRHFSA-N 482.610 2.573 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1CC1CCS(=O)(=O)CC1 1740659015 QKXHILMYMABJSB-UHFFFAOYSA-N 454.596 2.707 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)c2cccc(OC)c2)CC1 1740705963 PAJYTTQFIRWTPO-FQEVSTJZSA-N 465.598 2.734 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740737239 DYMYDHGKDZFXEQ-UHFFFAOYSA-N 495.451 2.553 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740780909 UNNQORFMSOOPAT-PGRDOPGGSA-N 468.602 2.527 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCNS(C)(=O)=O)CC1 1740838020 CUJCBZDNIJQZLY-IBGZPJMESA-N 496.678 2.734 30 10 JFEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740841118 IJYYKQGMGAYICP-UHFFFAOYSA-N 471.606 2.836 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1740898998 CPVVYWVHEAJHBO-FQEVSTJZSA-N 454.623 2.575 30 10 JFEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1740942380 NJJNAYNMTSDUAY-LJQANCHMSA-N 457.600 2.956 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCC(F)F)C1 1740974873 JOQABZNTAQQKPY-CQSZACIVSA-N 455.893 2.770 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1740999746 FUNNEXFNPIEFEZ-UHFFFAOYSA-N 481.626 2.593 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1741000734 FMYXWDZASCOLIQ-WOJBJXKFSA-N 462.664 2.572 30 10 JFEE C=CCSCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1741002952 ULUQOMWOLIRGQQ-SQNIBIBYSA-N 499.703 2.522 30 10 JFEE CC[C@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1744840061 HISPSLGWXDKBMW-QUCCMNQESA-N 452.559 2.602 30 10 JFEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1745865546 GMHGHDSPXCHUPZ-ILZDJORESA-N 458.588 2.560 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 1748680686 WICSGWSKWNXACV-RJGXRXQPSA-N 450.631 2.916 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748809137 JLIJGSVDDZOVHO-IIBYNOLFSA-N 450.992 2.776 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1748809383 MCOISHHJKKZGHE-MSOLQXFVSA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1748811537 IFYACHOLWXTEGE-FQEVSTJZSA-N 467.595 2.746 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1748819921 URVQJHWQGABMKE-SFHVURJKSA-N 473.961 2.731 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(C)C 1748886272 CWTYVQPSQIHNHS-AUSIDOKSSA-N 458.566 2.716 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnccc1OC 1748887045 QXLUADPGIFTETQ-UHFFFAOYSA-N 481.560 2.980 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1748949667 HHXJWOVCQJYPIA-QUCCMNQESA-N 457.550 2.902 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1748993670 HPIHXUSOLHAWKY-VWLOTQADSA-N 457.626 2.884 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1749022958 OEQYAJIMPONIQP-SJORKVTESA-N 487.655 2.515 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749114321 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CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2290250198 SEVXGXIWWCZGSY-DOTOQJQBSA-N 460.384 2.571 30 10 JFEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccccc1 2297744670 KZHAGSJXNBGQMD-JOCHJYFZSA-N 484.574 2.929 30 10 JFEE CCCOc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 2322659812 OATWZUPNIMMTOS-CQSZACIVSA-N 469.361 2.600 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccccc1 2325881711 YNAZXPPYLBYQLL-QGZVFWFLSA-N 465.535 2.955 30 10 JFEE C=CCOc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 2325918271 VSOISJQMFZXMKE-HXUWFJFHSA-N 490.589 2.819 30 10 JFEE CCCNC(=O)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc[nH]1 2326183028 UVXGRGXHERMKNX-UHFFFAOYSA-N 456.572 2.909 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COCCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2343092441 SGEWAIRPLLFONM-GOSISDBHSA-N 450.360 2.850 30 10 JFEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345746272 UEDJLFMUUGLVGH-CABCVRRESA-N 451.348 2.638 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2366676721 JRIFWSQJMNGROZ-ULQDDVLXSA-N 498.476 2.865 30 10 JFEE O=C(O)c1ccc(N/C(=N/Cc2ccc(F)cc2)N2CCN(CC(=O)N3CCCC3)CC2)cc1 21047129 HEBYUALJCHUDCY-UHFFFAOYSA-N 467.545 2.732 30 10 JFEE Cc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3cc(Br)ccc3O)n2)no1 59815944 NXMFCZREKDOOJB-UBKPWBPPSA-N 452.294 2.746 30 10 JFEE NC(=S)N/N=C1\C(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 72414960 WNPGUTHSTBCQMA-MYYYXRDXSA-N 455.849 2.881 30 10 JFEE COc1ccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC 97553104 VZNSPWYRQDREDG-KSEXMQBYSA-N 468.506 2.607 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC 103227932 BLKJMXXWCUHUDW-GOBJLOIFSA-N 455.467 2.595 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1O 170111412 PRBQKPQMDRUOTP-JOCHJYFZSA-N 468.506 2.702 30 10 JFEE N/C(=N/O)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 236336035 YEXHYGDDJQUHCD-LLVKDONJSA-N 452.090 2.795 30 10 JFEE COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(N(C)C)cc4)c(=O)n32)c(OC)c1 254597523 HFJDUBBWRFERAV-XMMPIXPASA-N 477.586 2.907 30 10 JFEE COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(C(C)=O)c2)cc1OC 254872438 OAPVGVTXWYNTFW-PXNSSMCTSA-N 474.560 2.822 30 10 JFEE CCCC/N=C(/NN)Nc1cc(I)cc(I)c1 690320693 HIVLVGVZZXHGLW-UHFFFAOYSA-N 458.085 2.927 30 10 JFEE C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 728367314 DVGLZLAZNXNFTE-VXGBXAGGSA-N 451.508 2.673 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)Oc2ccccc2Br)c1 1149096571 MLWXBVRCBQMKRY-CQSZACIVSA-N 451.342 2.558 30 10 JFEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)[C@@H](CO)C1 1161344221 KSHUFBGMOVVXTQ-GAZXMLTASA-N 450.535 2.672 30 10 JFEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1228508091 MLGNZTXYRQLVMN-NSHGMRRFSA-N 474.606 2.699 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNS(C)(=O)=O 1286278717 PUUITZDAXRDBAR-HZPDHXFCSA-N 453.996 2.695 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCc2sccc2C1 1286280471 ZWBUTAYQOAABJL-KRWDZBQOSA-N 469.636 2.926 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1286309362 KRTJRBWPCXUIDP-QFIPXVFZSA-N 450.587 2.569 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1286369301 KVKBHRBGOYAOKZ-UHFFFAOYSA-N 452.469 2.774 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1286458507 WBVUDNMFUILEJP-NRFANRHFSA-N 489.617 2.970 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1286469937 PAEWIJFYEGIRRB-IRLDBZIGSA-N 485.032 2.678 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1286493152 FFTWVOUJJHLGNO-GBXCKJPGSA-N 470.643 2.947 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CCC)C(=O)C1 1286499618 NIKCYEFRLGQQSR-UHFFFAOYSA-N 455.584 2.531 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286584286 DANPYUQOAKWVCY-BEFAXECRSA-N 476.423 2.601 30 10 JFEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1286594468 SIUXAQQLRDVSDO-UHFFFAOYSA-N 451.619 2.659 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286622424 HCAGENBCCQSVBA-UHFFFAOYSA-N 463.991 2.596 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286671856 AKMGJWZUUJSPJA-FHWLQOOXSA-N 488.633 2.904 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1286756140 HGMJODQQDWFKCP-SFHVURJKSA-N 482.610 2.678 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1286785913 UHCKZWJMDRMASA-MRXNPFEDSA-N 460.464 2.699 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCC(F)(F)F 1286786275 ARCSMHGAHYDJLB-UHFFFAOYSA-N 477.491 2.756 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)cs2)CC1 1286788673 BTNCIMXFUOOEMK-UHFFFAOYSA-N 451.600 2.571 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286792289 UAQRTEFLFRMFOE-HHHXNRCGSA-N 496.656 2.758 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC(=O)N2CCOCC2)C1 1286800418 KUIPPLYNCCUMMN-YADHBBJMSA-N 453.587 2.850 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C)[C@H]1C 1286816214 GNVYOBFWUZRCCR-HZPDHXFCSA-N 464.613 2.647 30 10 JFEE C[C@@](O)(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F 1288885479 DZOZZHGFWLGOGZ-IIBYNOLFSA-N 497.543 2.781 30 10 JFEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 1291128641 AAAXVTNKIJFDII-HXUWFJFHSA-N 479.629 2.943 30 10 JFEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1292614158 CTAYFOQZMZUQJP-JAXLGGSGSA-N 468.602 2.648 30 10 JFEE CCCCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1294309949 DEJWPQGYGKSZQR-QFIPXVFZSA-N 485.658 2.553 30 10 JFEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)c4cc(C#N)cs4)CC[C@H]32)CC1 1299348871 AQTZJPJWXZXRLO-DLBZAZTESA-N 459.572 2.628 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(C)CC(F)(F)F)c1 1299940879 DJFNLVFASYTKNR-LJQANCHMSA-N 456.444 2.898 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1csc(COC)n1 1300308527 PPDBLNBDGBWFDI-MRXNPFEDSA-N 452.588 2.561 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)CN1CCOCC1 1300473129 OVZZZUNWWRFTKN-QGZVFWFLSA-N 462.392 2.657 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300488061 AHEJQRCPGGYIQY-AWEZNQCLSA-N 462.519 2.769 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1300497320 YHEGJBGZEZWTGC-PKTZIBPZSA-N 491.702 2.905 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300503919 HFRIAXSOCYJCPM-FPOVZHCZSA-N 487.695 2.988 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1300558830 DJDGLBXUNSSBMB-SQJMNOBHSA-N 483.638 2.528 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1300559576 UNMOERHEZXKATK-BCHFMIIMSA-N 464.566 2.773 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCOC2)n1 1300681635 WBZYMYFVNSPJJX-SFHVURJKSA-N 469.977 2.903 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C(C)C)CC1 1300688095 AJCTWEROYHAFKW-UHFFFAOYSA-N 472.659 2.633 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1300724630 AHFLPRSCOSWHJD-TZIWHRDSSA-N 451.571 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OC)c2OC)CC1 1300727226 VHLBBCFHRSLXBO-UHFFFAOYSA-N 453.587 2.898 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1300837074 GSDUZXRSZDEAPO-UHFFFAOYSA-N 454.394 2.680 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NC)CC1 1300870476 SQEMNMHORKHDCV-LPHOPBHVSA-N 491.434 2.990 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1300880474 IVQHKDHQSVPXEH-JPYJTQIMSA-N 493.612 2.789 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C 1300898550 YLRNGVZYSSWGIS-HKUYNNGSSA-N 453.653 2.807 30 10 JFEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300973239 UMCGABOHTCCEGD-IBGZPJMESA-N 484.626 2.912 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1301252774 QIGHTGWVJPYSRW-MRXNPFEDSA-N 452.515 2.576 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1301376170 XRMDYVIIRXMSBK-FQEVSTJZSA-N 486.642 2.632 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(=O)NC(C)(C)C 1301481408 LVCGRZSWWSRFRN-GOSISDBHSA-N 456.591 2.688 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1301501414 WQEUMTHCOVZCAK-FQEVSTJZSA-N 487.004 2.828 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)N[C@@H](C)CC)C1 1301555868 DOILVIQWLUBEDW-WAOWUJCRSA-N 455.559 2.877 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1=O 1303198592 GHVFLFDFGVEUSI-UHFFFAOYSA-N 497.600 2.558 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CCN1C(=O)OC(C)(C)C 1305147280 BMFJYAGVVLDTGD-HXUWFJFHSA-N 495.628 2.985 30 10 JFEE CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)C1 1306503845 HLZCFQYLUNCFSX-GOSISDBHSA-N 480.598 2.822 30 10 JFEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC1 1312128413 GJASZDRFDUJGHT-FQEVSTJZSA-N 455.536 2.668 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1358958371 MSKUBFWIJUAOAO-MRXNPFEDSA-N 494.408 2.560 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358959958 SXVAOAUOYGVPLU-HZPDHXFCSA-N 479.400 2.513 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1358960029 VAYDPGYSUPKWPK-HXUWFJFHSA-N 457.625 2.977 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(N)=O)CCCC1 1358974081 QKXTZXGNYNAGHD-UHFFFAOYSA-N 470.371 2.835 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(F)c(Cl)c1 1358976812 RJYJWUNFRPUFGY-UHFFFAOYSA-N 455.877 2.950 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1Cc1cccc(N2CCOCC2)n1 1358982388 VIVARVDURLITGF-UHFFFAOYSA-N 470.577 2.827 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nccs1 1359015196 LITZKPJNBHDLQA-CVEARBPZSA-N 476.603 2.927 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1 1359015565 XTZCLKXPHRHTHT-LPHOPBHVSA-N 465.620 2.953 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1359017030 SGMDOGSMQXTBOI-NRFANRHFSA-N 475.590 2.580 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCSCCCO)CC1 1359032003 XNUKKZPNJRFDCR-UHFFFAOYSA-N 494.459 2.587 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1359037132 WTVSCUAZWUDQNH-IBGZPJMESA-N 470.593 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(COC)c2)CC1 1359044975 SYERUQUFALZJNG-QFIPXVFZSA-N 451.571 2.680 30 10 JFEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1359080722 BAPBQBPOBQBPNO-UHFFFAOYSA-N 463.380 2.618 30 10 JFEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccccc1 1359194721 AHPKXODLHVQELA-PZJWPPBQSA-N 450.587 2.852 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359203458 PJQVMKQERBUHER-NRFANRHFSA-N 471.627 2.807 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1359226485 GPUFYVOEJBVCLJ-SFHVURJKSA-N 472.615 2.591 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCC1 1359274649 VOFYFXSIEBSSQL-UHFFFAOYSA-N 471.627 2.717 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359328987 UXLHKOLYYDZPEC-QGZVFWFLSA-N 488.566 2.518 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(C)c2)CC1 1359330122 HYMKRFGVYNMCOT-UHFFFAOYSA-N 452.584 2.576 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 1359342395 WPZJDQPZODSBSU-QGZVFWFLSA-N 469.677 2.881 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1359345401 FEOLKHLLBMBNRP-UHFFFAOYSA-N 474.675 2.939 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1359346753 UUKWXRXVLHSHNH-UHFFFAOYSA-N 496.681 2.841 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1360602275 AAFBAGGOTJQOIZ-APWZRJJASA-N 464.492 2.553 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N(CCC(=O)OCC)Cc3cccnc3)ccc2c1=O 1464475265 ICRLBNPAJXJKSQ-UHFFFAOYSA-N 452.536 2.862 30 10 JFEE COc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 1466311298 AWCZVBWIXZYYAC-UHFFFAOYSA-N 457.328 2.726 30 10 JFEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1503382515 FYDXTRBALUVTME-LEWJYISDSA-N 463.567 2.822 30 10 JFEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507555593 TXSVGMCGQMIHCN-IBGZPJMESA-N 481.626 2.904 30 10 JFEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1507582694 IXVUNGBQQZAOJL-QGZVFWFLSA-N 460.460 2.856 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CC1)COC(=O)N2 1507592192 QRNZAFQBCJWCKX-UHFFFAOYSA-N 472.590 2.885 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1507627183 CSXIQQFSGSITBQ-BBTUJRGHSA-N 460.575 2.772 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1507639157 WELJFRPHJZGSAG-FUHWJXTLSA-N 452.939 2.597 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc([C@H](C)OC)n1 1507660916 HOUBJHCAWADBHO-FDDCHVKYSA-N 457.600 2.994 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@@H]1C 1507673541 VPFXPSFDQGYXBW-VWLOTQADSA-N 473.669 2.590 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCCC1 1507694094 JFYHHKFURCFWGJ-UHFFFAOYSA-N 463.674 2.977 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1507699648 IYYFFXSFMZOFTG-HXUWFJFHSA-N 496.568 2.672 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1507820782 MWSXKPCVXJCRLW-YLJYHZDGSA-N 461.588 2.617 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1507835880 ORYLTAROTFMVAF-XMMPIXPASA-N 466.517 2.755 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 1507844504 KYWJUMAWCOBQES-GOSISDBHSA-N 478.640 2.934 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507846337 INKAKAOAJZEYAW-HNNXBMFYSA-N 472.537 2.731 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1507935781 UNSRSCSGCFQKDA-IBGZPJMESA-N 467.636 2.507 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1508079522 YEDRLSDASRJQMU-XMMPIXPASA-N 455.559 2.662 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(COC)CC2)cc1 1508101326 XPEBBPMXEPMHHO-HXUWFJFHSA-N 460.600 2.656 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC(C)(C)C2)C1 1508111433 YFPMKPKNCXEEGI-IBGZPJMESA-N 453.591 2.829 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1COc2ccccc2O1 1508145014 VYLDNRAGJNQTPV-SFHVURJKSA-N 489.623 2.511 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508147711 LKRCZZNXSCCNIZ-UHFFFAOYSA-N 474.675 2.908 30 10 JFEE C[C@](O)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1510233746 HZAOAPLLOUBZMR-VXKWHMMOSA-N 472.908 2.804 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1)OC 1512749167 CJVMLTKFOQFOOZ-DYESRHJHSA-N 474.631 2.786 30 10 JFEE CN(CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1517311465 DBNCBERIPDHFDF-FQEVSTJZSA-N 478.557 2.726 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1538976283 JTICOBOMTIDBOU-MZNJEOGPSA-N 458.559 2.851 30 10 JFEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1539067407 FGORDDVZFUGFCO-UHFFFAOYSA-N 475.597 2.831 30 10 JFEE C#CCCCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139306 CZEOOTWDAGXMKY-AREMUKBSSA-N 472.678 2.727 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539213254 XKNVCIUROJYSGD-PRCFCKQXSA-N 476.668 2.919 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)cc1OC 1539299585 KUTBCWCMZRZFNK-RUZDIDTESA-N 452.555 2.847 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1539338237 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AFGCQCHXQMYXOM-SFTDATJTSA-N 481.663 2.753 30 10 JFEE C=CCCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539967781 MBEATEXQZWZPAH-NZQKXSOJSA-N 451.619 2.609 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1540036568 PCZUAUQYIFLCTK-UXHICEINSA-N 460.600 2.775 30 10 JFEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1540039919 KBXFUWKJMNHUIG-LJQANCHMSA-N 450.591 2.980 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCS(=O)(=O)C1 1540187611 SADYWSUTLGIFOS-FQEVSTJZSA-N 455.584 2.917 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(NS(C)(=O)=O)CC1 1540859996 CSCMDOMBISFXGH-UHFFFAOYSA-N 460.387 2.868 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1540882524 JWVULDRGJUUKFF-INIZCTEOSA-N 468.480 2.582 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2csc(C)n2)CC1 1540899165 FRONYRCJUVHMPF-UHFFFAOYSA-N 476.628 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540905136 TUQRJPUXPVCSEM-QGZVFWFLSA-N 462.601 2.607 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1540913996 ZVINREQRZFJVOG-INIZCTEOSA-N 480.516 2.879 30 10 JFEE CNC(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1ccnc(O)c1 1548379462 CAIWZQWXJUSIDG-IBGZPJMESA-N 487.482 2.925 30 10 JFEE CO[C@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C#N)cc1 1555194790 AWFUAVBLUKLOAM-UXHICEINSA-N 480.594 2.829 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nc(C(F)(F)F)cs2)c1 1555793823 BHVMCVAMWQHUFV-ZDUSSCGKSA-N 498.512 2.601 30 10 JFEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(-c2ncn(C)n2)c1 1556174996 BYWFWHRUOKFMPL-SFHVURJKSA-N 452.540 2.574 30 10 JFEE C#CCN(C(=O)Cn1cnc(-c2ccccc2)cc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1558370669 QLWVOHBLPRKUGV-UHFFFAOYSA-N 450.539 2.772 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCn2ccnc2C1 1587555238 DILCIXCNEXDHST-SJLPKXTDSA-N 451.962 2.779 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1588045788 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1589548256 YHFNJXDBUOCMKJ-RQTOMXEWSA-N 472.678 2.981 30 10 JFEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N2CCOCC2)CCSC1 1589687316 BEJJLTPPTSOFSQ-HSZRJFAPSA-N 459.664 2.750 30 10 JFEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1594168044 JNKNRNRIJYZMAC-UHFFFAOYSA-N 452.603 2.905 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@@H]21 1594498355 TYNMEOWESAXURK-QYZOEREBSA-N 451.637 2.982 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1594788255 JAQBGBVYBGWXMO-UTKZUKDTSA-N 455.559 2.517 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595367055 XWFUCFJUUZEWDY-RXVVDRJESA-N 468.602 2.527 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1595885010 YNDZNDAWJYGUBK-PMACEKPBSA-N 462.641 2.895 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1595972304 LHWDXQVQPXXGCI-GGAORHGYSA-N 451.548 2.588 30 10 JFEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccs1 1597751291 AAISAKYVXXZPHG-UHFFFAOYSA-N 470.624 2.938 30 10 JFEE CCOC1CC(O)(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@H](C#N)C2)C1 1616565461 HALGMQYWIYEWNU-RDYUPDBUSA-N 480.338 2.505 30 10 JFEE N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 1617146023 AEJIPWOYGWRRNO-IBGZPJMESA-N 456.319 2.979 30 10 JFEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCC1 1620219365 FQYAZPFQSDAUAE-SFHVURJKSA-N 474.656 2.868 30 10 JFEE C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)s1 1629878511 PERUNHPMVBXETP-UHFFFAOYSA-N 457.581 2.744 30 10 JFEE COc1ccccc1-n1ncc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1C 1648749942 GTYINIJIJNTGLL-UHFFFAOYSA-N 456.300 2.986 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 1659508843 BHFNSBMKFHACHV-UHFFFAOYSA-N 452.554 2.995 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCC[C@@H]2C)c1 1689868512 IXGQGMHQENIIPR-IDISGSTGSA-N 494.640 2.859 30 10 JFEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1689888303 GJGCPVKDZMJYOH-HSZRJFAPSA-N 464.614 2.762 30 10 JFEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1689893541 ZWVNLITYPIXZEV-QFIPXVFZSA-N 487.626 2.892 30 10 JFEE C#CCCCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689905857 CDJNAIDFGPSXLE-XMMPIXPASA-N 456.591 2.741 30 10 JFEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1689934175 MBLUWJCXIWNITA-HXUWFJFHSA-N 454.644 2.867 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCc1nnc2n1CCCCC2 1690005233 WRGRQSZNOYFBBD-UHFFFAOYSA-N 481.402 2.680 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccco1)N1CCCC1 1690034516 KFEZJZZGDNHUFS-PXDATVDWSA-N 451.571 2.823 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1Cc1c(CC)nn(C)c1OC 1690048643 MDPNBTMVLARJOK-UHFFFAOYSA-N 452.509 2.963 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1690072717 QWHMHWYQQXDSSM-RUZDIDTESA-N 460.538 2.769 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1690075099 CBIJMGYXKFIGAP-RTWAWAEBSA-N 474.650 2.820 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)C1CC1 1690102948 YLHGRESIJVZXTF-MHECFPHRSA-N 461.607 2.640 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1690104355 UNFUTZDWGUNXSA-YLJYHZDGSA-N 479.503 2.761 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1690216434 OYZNMPMXAGDDPA-SAHWJRBASA-N 454.579 2.701 30 10 JFEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1690483838 XSJVUPFSYHBFMD-VSKRKVRLSA-N 458.651 2.955 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(OC)ccc1OC 1690522500 CRHVZOHGZIQHOP-UHFFFAOYSA-N 456.572 2.926 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1690622824 ZFQQJWSEINOKJZ-IBGZPJMESA-N 479.622 2.573 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccc(F)cc2)C1 1690687045 XUWAHULVDNITTR-FRQCXROJSA-N 451.568 2.612 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1690722298 DOTPLZFACWNJRF-NRFANRHFSA-N 468.627 2.975 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1690732170 WTPFXGMLZNUEQL-YLJYHZDGSA-N 489.598 2.884 30 10 JFEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C 1693549630 FSCMYEXRZWRRDG-XLIONFOSSA-N 479.610 2.760 30 10 JFEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1696504931 BYVLQUSQDOQFJV-QGZVFWFLSA-N 460.604 2.540 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1696902495 GQGHCHWCZVDTAJ-MYYSRTQBSA-N 450.543 2.753 30 10 JFEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CC1CCS(=O)(=O)CC1 1697581823 CMFJBRUHESLTPL-UHFFFAOYSA-N 457.600 2.832 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(=O)NCC)CCC1 1705475449 SARWJNYDUICVSJ-MRXNPFEDSA-N 456.978 2.626 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1705516550 DOCPSYPKDFGEOR-FQEVSTJZSA-N 463.579 2.580 30 10 JFEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1705533342 LMINJPXJNHJOGY-SFHVURJKSA-N 453.543 2.708 30 10 JFEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705534662 NXQLYFMZEMYOBZ-OAQYLSRUSA-N 473.599 2.502 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705544020 CDHBTOFGKDZKFS-LJQANCHMSA-N 497.518 2.694 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1N(C)CCCC1(C)C 1705628333 DBDDQVYUPNBBTC-YADHBBJMSA-N 453.587 2.997 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)CC1 1705646568 IEBTZXAEWCGXJR-UHFFFAOYSA-N 487.608 2.575 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC1CC1 1705671571 PCPQZHRMIWXESC-HSZRJFAPSA-N 458.584 2.779 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705695653 JIKCWWZRTDMHIJ-JTHBVZDNSA-N 453.587 2.784 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1705724367 JNOGNLYIZXWMAE-SFHVURJKSA-N 463.586 2.901 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 1705730950 PQVGAHGLJWXVOU-UHFFFAOYSA-N 453.591 2.973 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2C)CC1 1705768775 AGRKCLQRQHEYNJ-IBGZPJMESA-N 457.579 2.833 30 10 JFEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705810335 VMTJIXMZUBLAGT-IFMALSPDSA-N 458.651 2.954 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705828406 MVHWEVNXTUTWDX-UHFFFAOYSA-N 453.591 2.803 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705860027 MNLBEWGXSDPKSK-HXUWFJFHSA-N 465.583 2.619 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705892198 KJHHGHHKUXOKEI-HDICACEKSA-N 458.632 2.781 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(OC)CC1 1705895687 PDMRRBIDZIRODJ-HXUWFJFHSA-N 465.396 2.744 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1705927172 SBFXKOFHOAQZTH-GHRAFVERSA-N 451.596 2.972 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705939845 OBUUZXWMXPCDKT-QGZVFWFLSA-N 472.640 2.973 30 10 JFEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)CC1 1709999757 DAEYCJOIBIKLOS-SANMLTNESA-N 479.629 2.622 30 10 JFEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCSC(F)(F)F)CC2=O)cn1 1711255631 HNPFKFAFPREQIT-UHFFFAOYSA-N 476.488 2.656 30 10 JFEE CNC(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1711400147 HTSIZHQYTUIFMM-DEOSSOPVSA-N 462.558 2.502 30 10 JFEE N#C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCCO2)CCO1 1712885900 BXZPVWZQVQPDJR-ROUUACIJSA-N 462.348 2.917 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)c1 1722306283 HKHWOFPHIQNQRT-FQEVSTJZSA-N 494.596 2.931 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1722370000 JXJMDQAHTWKFRR-WOJBJXKFSA-N 474.652 2.935 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1722429751 RHPKVAFOERYQSW-NRFANRHFSA-N 473.021 2.993 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CC=CCC2)CC1 1722432780 DUXRYOKNLWDWOD-UHFFFAOYSA-N 473.394 2.864 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CCN(CCC)CC2)CC1 1722434511 TYSFOJFJROWGEF-UHFFFAOYSA-N 466.630 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](C)N(CC)CC)CC1 1722446460 WZRQSZYBUVHQPM-NRFANRHFSA-N 488.640 2.827 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1722450990 VBRYMSXVHMBZTJ-FNZWTVRRSA-N 465.598 2.682 30 10 JFEE C=C(Br)Cn1c(N2CCN(C3CCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722489484 PPYBJNROYBDMMU-HXUWFJFHSA-N 454.413 2.902 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722492594 CWHLYJVBDDWGEX-TYPHKJRUSA-N 474.650 2.919 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 1722495530 HQFJYVICEIBGGT-XMSQKQJNSA-N 473.021 2.838 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)NC(C)C 1722496256 WJFYFTVEBZIVPV-BEFAXECRSA-N 479.423 2.988 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722529070 OCQNGMJMQHHYPF-IBGZPJMESA-N 465.352 2.659 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCN(CC)CC2)CC1 1722576103 JIBRJAHWAWMQQS-UHFFFAOYSA-N 486.686 2.779 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)cc2)CC1 1722584445 ZGNFOWPMSHRQTR-FQEVSTJZSA-N 480.034 2.910 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722605098 VJHMBNJHJYITEF-QYZOEREBSA-N 490.605 2.878 30 10 JFEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722610469 QRDPJGJIFICNTN-UHFFFAOYSA-N 455.588 2.773 30 10 JFEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722621050 MNZJCLRAJJTTSF-HXUWFJFHSA-N 468.602 2.575 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(=O)N(C)C)CCCC2)C1 1722721291 SRICXFZYAAEYOC-GOSISDBHSA-N 486.642 2.700 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N2CCN(CC)CC2)C1 1722723270 XIQZVGGJSASQJJ-UNMCSNQZSA-N 456.610 2.815 30 10 JFEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)C1 1726460445 ANPYBYXACRTIQG-KDURUIRLSA-N 458.632 2.666 30 10 JFEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(COC)CC1)S(C)(=O)=O 1728494072 AYAHTNAUTLWUMV-UHFFFAOYSA-N 474.631 2.741 30 10 JFEE CCn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)C(C)(C)C)CCO2)cn1 1728528673 AXWHUHXBXCXDID-NRFANRHFSA-N 497.625 2.824 30 10 JFEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740581912 HCHRAUGYDPCUQC-UHFFFAOYSA-N 480.432 2.981 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1740589821 FXDMJZAAOQEINC-CYFREDJKSA-N 459.591 2.802 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1740598115 FCXRSEZNQRJUSC-URVUXULASA-N 466.586 2.974 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740623096 OARWGDCBVLRDKN-SFHVURJKSA-N 475.581 2.837 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740626679 YLZMXIKMJDAFME-LEWJYISDSA-N 454.596 2.883 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCc2ccccc2C1 1740644674 OVBNLFPNZSGKQZ-NRFANRHFSA-N 467.577 2.835 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1740651436 DPDGZJPWLNOTQE-XMMPIXPASA-N 457.582 2.987 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=O)N1CCOCC1 1740682212 NOIVNLZVOUVHHP-UHFFFAOYSA-N 483.569 2.758 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740700199 JTYWAIMGDRPLCX-DHIUTWEWSA-N 499.681 2.545 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1740700457 AHZFNLBLXMJZCU-HXUWFJFHSA-N 493.656 2.512 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cn(CCCC)nc2C)CC1 1740704714 RZANKROPBSFKSQ-UHFFFAOYSA-N 474.613 2.968 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1740716793 ZTULGTNCSYJTNS-QGZVFWFLSA-N 452.584 2.514 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740780908 UNNQORFMSOOPAT-GCJKJVERSA-N 468.602 2.527 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740795067 NDARDLQLZMMHEE-RVKKMQEKSA-N 463.431 2.793 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740849230 CDOLEHCMWZBGGH-SFHVURJKSA-N 471.631 2.589 30 10 JFEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740859978 VPRBLCGUYCSUDP-UHFFFAOYSA-N 461.588 2.796 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740960814 CCHXHKKTTIGYTD-IBGZPJMESA-N 452.946 2.877 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740960838 CWGOIELCMQFTMB-CZUORRHYSA-N 457.884 2.981 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740989341 JVFVYGLVRPTXKN-SFHVURJKSA-N 472.590 2.739 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740995536 PDGMPWUUPPUAKD-DBYOASNMSA-N 496.674 2.572 30 10 JFEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)C1 1745691216 DSVBEOPOIQYGFJ-QFIPXVFZSA-N 465.602 2.519 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 1746433694 GKPGEJYHYJQCAH-NFBKMPQASA-N 451.619 2.704 30 10 JFEE CN(C)C(=O)CCn1c(N2CCN(c3c(C#N)cnc4ccccc34)CC2)nnc1C(C)(C)C 1747539965 HRYFQNDYTCHKOB-UHFFFAOYSA-N 460.586 2.800 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCCN2CCOC2=O)c1 1748693124 YLIDVVRIGSBSIK-UHFFFAOYSA-N 450.543 2.834 30 10 JFEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1748758970 AUZJTHWPAYGQDA-UHFFFAOYSA-N 475.597 2.801 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748809984 YEYWDXDLZFKVRK-NZQKXSOJSA-N 499.681 2.590 30 10 JFEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)cc1 1748869348 CAIBEWWVVQZRNZ-MBSDFSHPSA-N 456.522 2.566 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([S@](C)=O)CCC1 1748875072 IMLPPLUUDPNLOK-YTTGMZPUSA-N 451.596 2.911 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCCC1 1748891623 BNDAZTGDGLCIKD-OAQYLSRUSA-N 468.579 2.611 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCCN2CC)CC1 1748979206 WDHBGDLYGVCGMQ-NRFANRHFSA-N 482.629 2.601 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748984192 IBHKSPWCFKFPCU-QFIPXVFZSA-N 494.640 2.755 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1749068773 NMHCPRSQVCYTRI-NTKDMRAZSA-N 469.590 2.669 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1 1749158248 DYQSYCWTMXLWOX-GOSISDBHSA-N 480.660 2.569 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749174833 AUSHRPLVIYVAMN-AWEZNQCLSA-N 471.425 2.720 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1749211190 VQPWONSEVAATSQ-UHFFFAOYSA-N 467.614 2.928 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749285057 UGNKLTOPEYVEDH-RCCFBDPRSA-N 475.055 2.979 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnn(C)n1 1749544137 AIJCTEVIALRMFJ-UHFFFAOYSA-N 463.571 2.973 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1scnc1C 1749597923 QDNISKAHXWFJRZ-UHFFFAOYSA-N 465.583 2.838 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749650850 IGEOJCZCXJZCFL-MJGOQNOKSA-N 472.565 2.600 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1749659165 WJLJFXBNBZIWON-GOSISDBHSA-N 463.542 2.707 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1749661140 ZOTSYLTXUXOLNR-UHFFFAOYSA-N 485.596 2.667 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1749663349 BIDCRMGLCBPQPI-CTNGQTDRSA-N 460.586 2.527 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(C)C)CC1 1749677831 LVGOGTCMSQAZIT-UHFFFAOYSA-N 491.434 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CC1 1749731394 CJLUHCSHDHTWOP-QGZVFWFLSA-N 467.636 2.982 30 10 JFEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(N)=O)CC1 1749744666 NOMSDGYNILWMNY-UHFFFAOYSA-N 491.687 2.558 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749754374 LCBQXIDTIRPOFP-ZWKOTPCHSA-N 478.663 2.979 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1760190520 XGLFKRNQCURBSA-QGZVFWFLSA-N 459.572 2.809 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1760191554 JLQAAKPBESLEMT-VQTJNVASSA-N 474.652 2.854 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1760251539 CCCBPIOQDZVCLL-SANMLTNESA-N 464.614 2.844 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)CCCS2)CC1 1760261891 RZGMEXMMDWHXDW-DVECYGJZSA-N 490.674 2.627 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760320152 SNHZWZULDCNOCA-VSKRKVRLSA-N 474.627 2.956 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760342920 PWMQVJSKSXDYRS-GOSISDBHSA-N 471.587 2.847 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760360924 OMMRNVSEUUKEEQ-MPCDZSKCSA-N 488.633 2.604 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1760488800 FZVVHPAJGJLEQL-QGZVFWFLSA-N 464.563 2.675 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCOC[C@@H]2C)C1 1760539241 ZJMBFCGKWPENRP-FUHWJXTLSA-N 479.423 2.548 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1761356237 CJSBSKXBUCEKFZ-CRAIPNDOSA-N 491.438 2.717 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1763397500 IDKIWISAAJGVFQ-YFBXQHAESA-N 451.575 2.654 30 10 JFEE CCCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C#N)CC1 1766245799 HIWSDQSYJRBAAF-UHFFFAOYSA-N 461.364 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(=O)NC)C1 1772659931 VQDZMUODLGPFJN-FQEVSTJZSA-N 486.425 2.815 30 10 JFEE O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1860723535 BIIAIBYPSGUAKA-FPYGCLRLSA-N 452.891 2.721 30 10 JFEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1F 1862506437 NPHFDTKUUPLKEB-OAQYLSRUSA-N 469.469 2.953 30 10 JFEE CN1CCCc2cc([C@H]3C(C(=O)c4cccc([N+](=O)[O-])c4)=C(O)C(=O)N3CCCNC=O)ccc21 1862744971 YQMDHKSBQPJQNS-QFIPXVFZSA-N 478.505 2.692 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(C(=O)O)cc1 1864743568 UJTLTKAFQWTVAQ-HNNXBMFYSA-N 485.422 2.981 30 10 JFEE CC[C@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1867228637 AECVGXUXVQVBQN-IBGZPJMESA-N 460.531 2.630 30 10 JFEE COc1ccc(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)cc1F 1870106279 GPEUJMQCVPHOQC-RMKNXTFCSA-N 465.441 2.932 30 10 JFEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155575 ULWQDWJRUFMJAI-UHFFFAOYSA-N 479.840 2.634 30 10 JFEE COc1cccc(-n2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 1870157226 QNTIMWFDNZTBPN-HSZRJFAPSA-N 492.495 2.994 30 10 JFEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCN2CCCC2)CC1 1870350284 XZQDYWBQFQAVGG-UHFFFAOYSA-N 491.636 2.839 30 10 JFEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN1CCC(N(C)C)CC1 1870653340 DHDQLZJHPKHADI-UHFFFAOYSA-N 473.017 2.909 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(=O)OC)cn1CCCCCO 1870740926 SNDWWOGXGLQMPN-UHFFFAOYSA-N 497.592 2.989 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(C)c2C)cn1CCNC(C)=O 1870751167 KNSTZYFBMOPXEO-UHFFFAOYSA-N 466.582 2.793 30 10 JFEE N#Cc1c(NC(=O)COc2nonc2CC(=O)Nc2ccc3nc[nH]c3c2)sc2c1CCC2 1872664379 DKSGDRIGTXKWIS-UHFFFAOYSA-N 463.479 2.566 30 10 JFEE C=CCNC(=O)c1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc2n1CCC 1873572733 MNZWPHSIDQGHOH-UHFFFAOYSA-N 462.554 2.808 30 10 JFEE C=CCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873594184 NZKBPLWOGGOSPT-NRFANRHFSA-N 460.582 2.848 30 10 JFEE C=CCn1c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc2c(N3CCN(CC)CC3)ncnc21 1873594962 JSWJLXJZHNPKMW-NRFANRHFSA-N 468.989 2.876 30 10 JFEE COc1cc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)cc(Br)c1O 1874380001 BBJIOIWWVQLQAA-NUGSKGIGSA-N 494.346 2.944 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccccc1C(=O)O 1874431968 HTYBIJNMBRKAFW-BHGWPJFGSA-N 466.523 2.534 30 10 JFEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC2)CC1 1890418306 AWSGGPIUCJRYMZ-UHFFFAOYSA-N 483.653 2.816 30 10 JFEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)NCC#CCN2CCCCCC2)C4)c1 1891253591 OSEOSZLCRMSNHJ-NRFANRHFSA-N 490.633 2.751 30 10 JFEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(C#CCN(C)C)CC2)c1C 1891657505 WMWCKYRBVHWHHS-QHCPKHFHSA-N 459.656 2.877 30 10 JFEE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc([C@@H](C)C#N)c5)CC4)ncnc32)cc1 1891685591 NYIXPYWGJGDFGE-KRWDZBQOSA-N 468.521 2.809 30 10 JFEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cc(Br)ncc2Br)C1 1892125820 MZMRPOMWMQRODS-SNVBAGLBSA-N 467.121 2.952 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180992126 WOWQZECLMCAPFJ-RTBURBONSA-N 460.380 2.532 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)C[C@@H]21 2199874876 VHWOHKDGGHHGRT-NYLIBXOJSA-N 462.396 2.952 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@@H]2[C@H]1CO 2235569630 XXZJKWUHHGHMSC-SESVDKBCSA-N 458.408 2.645 30 10 JFEE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2241047201 RFQQCMBADVCALE-XIFFEERXSA-N 480.440 2.968 30 10 JFEE C[C@@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255541228 YRAICAFKZGEIFP-HIFRSBDPSA-N 451.398 2.818 30 10 JFEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255645611 QFYLSELIMUCOIQ-CYBMUJFWSA-N 451.398 2.832 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CO1 2255746086 VWBXYOQHVGBIBL-LLVKDONJSA-N 494.828 2.530 30 10 JFEE 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C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)cc2C1=O 32375297 BKGFHNNNMLEVPR-NRFANRHFSA-N 453.926 2.925 30 10 JFEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n[nH]2)cn1 59886756 CYCMRRQIDZDXEM-GZIVZEMBSA-N 468.465 2.843 30 10 JFEE CCOC(=O)c1c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)c(C)n(C)c1C 64979353 GOVKIIOBSJMJST-UHFFFAOYSA-N 472.567 2.730 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)=O)cc2)cc1OC 170108694 BXKJGJRBILWIQR-QFIPXVFZSA-N 468.506 2.769 30 10 JFEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(OC)c(O)c1 170111176 LGQGMLVRBUZFPJ-JOCHJYFZSA-N 468.506 2.844 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)nnc12 620614464 ZHTOPCDTADGCES-MRXNPFEDSA-N 486.561 2.780 30 10 JFEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCc1ccccn1 726182067 LEBBDRTZLBABNI-UHFFFAOYSA-N 482.949 2.837 30 10 JFEE C=CCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757432262 MPDCBOCYKXIBNK-GOTSBHOMSA-N 465.550 2.991 30 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1722703271 YFROMOSOGXIIGO-VGSWGCGISA-N 463.604 2.507 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)c1C 1724062375 AAPBRZJQCPYDNT-RBUKOAKNSA-N 475.615 2.977 30 10 JFEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1725688099 DFNNJAPLPRJEET-NRFANRHFSA-N 496.641 2.520 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ncc(C)s2)CC1 1740576274 ZTDLIAOHASVFDA-IBGZPJMESA-N 492.671 2.563 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740579837 WKECIWMOPBJRKR-RUZDIDTESA-N 457.619 2.963 30 10 JFEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740584682 IPFZILBTWJOIAB-KRWDZBQOSA-N 461.513 2.656 30 10 JFEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccccc1OC)N1CCCC1 1740615869 MUILWGCHMDTTTL-RRPUWOKSSA-N 453.587 2.917 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740620826 RTRARAWOXGDBRO-XLIONFOSSA-N 481.018 2.905 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1740621274 KQRFOAHDQQSDFN-FQEVSTJZSA-N 465.579 2.722 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1740621718 OJWZRPSSUCSGNG-LJQANCHMSA-N 473.618 2.833 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1740622010 RXQSHCZFSZJWOK-OWLMGLOSSA-N 450.568 2.724 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CSCCS1 1740640892 YORNCBYLTCGFES-QZTJIDSGSA-N 477.656 2.508 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740678946 LKKPPGFBMLNQSK-NHCUHLMSSA-N 482.604 2.679 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OCCC)cc2)CC1 1740692262 HVGNQJRCXPOZCL-AREMUKBSSA-N 467.614 2.911 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 1740693382 ZZPFVJQDENEFMG-UUWRZZSWSA-N 485.654 2.799 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1740742886 FIXNFWFPXVGIJI-HNNXBMFYSA-N 493.431 2.907 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1740793360 SBRGSOTYGIRMMO-HTAPYJJXSA-N 464.542 2.621 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1740963423 KKVVOHVNYMRAPT-HKUYNNGSSA-N 480.594 2.538 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1741015077 GWGCOMRCAJBWMC-UHFFFAOYSA-N 493.543 2.789 30 10 JFEE CCn1cnnc1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1746362056 AHNUOBDMKAPWGM-LJQANCHMSA-N 475.326 2.818 30 10 JFEE COc1cc(OC)c(CCn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1 1748563889 BAVGCEQHSVDWID-XMMPIXPASA-N 466.517 2.974 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(N2CCOCC2)n1 1748647049 HRQYUUCTINRWGW-MRXNPFEDSA-N 484.402 2.784 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1748752648 ZOONNIRCEZDPBM-KRWDZBQOSA-N 488.589 2.523 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748820654 GNTDUFFBUMESTJ-FQEVSTJZSA-N 499.662 2.842 30 10 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2.680 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1749735216 PREOJHQHCQVLRJ-SZPZYZBQSA-N 457.644 2.646 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1760098284 QMGCVFHRBXZABH-RTBURBONSA-N 458.632 2.631 30 10 JFEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760139184 UJYJLUYPAKGMHE-NFBKMPQASA-N 480.613 2.631 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760158809 RUFIUEVYXYFPSF-UHFFFAOYSA-N 471.989 2.999 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760180470 GBLUHMRDXUHBRF-PMACEKPBSA-N 472.611 2.577 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCc1cnn(C)n1 1760215325 WSHYGSIPSBORHR-UHFFFAOYSA-N 482.386 2.940 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC)c(OCC)c2)CC1 1760270771 ZEBHWDUFKGAWKS-UHFFFAOYSA-N 453.587 2.898 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1760289524 PUHZVZDHUWIACD-WAIKUNEKSA-N 451.506 2.702 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314296 LHNVOHMJQNIZPO-DENIHFKCSA-N 498.466 2.776 30 10 JFEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760354939 SIBKRLUHNYAVIM-NRFANRHFSA-N 474.631 2.764 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760358874 ALENRDRSDKOURP-UHFFFAOYSA-N 464.618 2.529 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760398695 IPFDBFFJZVFMHP-HXUWFJFHSA-N 486.642 2.513 30 10 JFEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760429297 YBPAVPOFVCORJE-LJQANCHMSA-N 457.604 2.757 30 10 JFEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1760431858 BELBPPOAQHXBML-UHFFFAOYSA-N 479.423 2.991 30 10 JFEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760432093 HDQNKSMRTZUAJT-HXUWFJFHSA-N 468.558 2.695 30 10 JFEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1760454663 BSCFOTXCXHMYAD-XMMPIXPASA-N 459.566 2.965 30 10 JFEE 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JFEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NCCc1ccc(F)cc1 1084233439 SEJOIRWWFCTCNW-UHFFFAOYSA-N 488.461 2.657 30 10 JFEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)c1C 1084242434 LQZUPEFMBPBTFF-UHFFFAOYSA-N 453.576 2.785 30 10 JFEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1125870438 GVZMJWKLTXXJEY-UHFFFAOYSA-N 454.596 2.937 30 10 JFEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)C(=O)OC(C)(C)C 1136927606 IZHPLXCJTPKBNS-UHFFFAOYSA-N 459.927 2.729 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cc(OC)cc(OC)c1)c1nccn1C 1141270884 IWFCRPGCTIEGSJ-PMACEKPBSA-N 456.543 2.950 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@@H]3CCN(c4ccccc4F)C3=O)ccc2c1=O 1146197204 RWWFQYCGEYFEHY-LJQANCHMSA-N 452.511 2.888 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286305311 LXNCLTBGRZIPGN-HOJAQTOUSA-N 469.540 2.800 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286342060 LJIKJKUADJMHNC-RTBURBONSA-N 468.577 2.760 30 10 JFEE C#CCCCn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286361210 YZZLFVBDMNAYIL-QHCPKHFHSA-N 458.632 2.819 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCCCC1 1286375930 AMFCEOXRFJGCED-IBGZPJMESA-N 460.623 2.920 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCCC2)CCOCC1 1286398814 QAVUVDBWITUBER-UHFFFAOYSA-N 474.609 2.865 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N(C)C)CCC1 1286414590 ZSAIONJDVPZYGD-FQEVSTJZSA-N 454.619 2.950 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccc(C)cc2)CC1 1286493548 NVQUDGKCZSMDJE-UHFFFAOYSA-N 464.614 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1286493592 OCMJMQGLIGKMAF-BJKOFHAPSA-N 478.641 2.613 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCCN2CC)CC1 1286494721 QIWXVOUJLPAYHB-XMMPIXPASA-N 492.668 2.912 30 10 JFEE C=C(Br)Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286529950 BCTOOAXMTMYWEJ-MAUKXSAKSA-N 453.429 2.689 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2ccccc2[nH]1 1286546727 LJOZYFPOJDCNKO-MMOPVJDHSA-N 472.615 2.987 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C)o1 1286557738 XVUJXBVUKBHVDA-DYXWJJEUSA-N 478.615 2.716 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286564218 MLAMHWHFCYRFAA-VIPLHTEESA-N 495.671 2.509 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286568456 ZGDCMQPOSPQQIH-MZKRTTBSSA-N 474.627 2.676 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286628516 CYDYPXJBJJKBFC-IBGZPJMESA-N 482.006 2.793 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cccc(N2CCOCC2)n1 1286715815 VDAJHOOKZZGPMJ-UHFFFAOYSA-N 481.988 2.764 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCC1)C1CC1 1286735128 OENWNJDAEIATPO-UHFFFAOYSA-N 486.642 2.753 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1286790826 XVNLUCBCKIADLH-INIZCTEOSA-N 494.547 2.993 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1286796005 GFWJYUFTAGNEOP-UHFFFAOYSA-N 478.519 2.812 30 10 JFEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1)N(C)C 1287328299 GBVQDAAFKGQGCD-QFIPXVFZSA-N 459.602 2.910 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(OC)CCOC1 1292104050 CJGLPVSRPNQILR-SANMLTNESA-N 495.628 2.590 30 10 JFEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1294460339 CRZNAKZYVWLPOX-OAQYLSRUSA-N 470.643 2.810 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CCOC1 1296603926 ASSHVVVBPYVBAB-JJEOQYAHSA-N 478.569 2.772 30 10 JFEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1 1297653354 HIQHBGHINKZOJH-KSFYIVLOSA-N 457.556 2.577 30 10 JFEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1298535175 CDIDUUUFMOGDTI-JOCHJYFZSA-N 451.619 2.848 30 10 JFEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1300028951 GKPGEXOHXXBWMU-IBGZPJMESA-N 464.492 2.957 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCOC[C@@H]2C)c1 1300333930 GKLGHAHTSOZGIK-SIKLNZKXSA-N 458.566 2.993 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1300381056 MYVWLZOJNVUZHK-UHFFFAOYSA-N 474.569 2.686 30 10 JFEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300400140 DDMVFOUTGYAUMY-SZPZYZBQSA-N 478.641 2.994 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300497919 FAGAHGCMSAYUFD-LJQANCHMSA-N 493.624 2.893 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1300540957 HIYCIVIVUWULNQ-IBGZPJMESA-N 461.570 2.893 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1300685267 KKTBNFVXAFGLDD-DLBZAZTESA-N 461.408 2.616 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc3ccccc23)CC1 1300710523 DVYWHSLQCOKHFE-UHFFFAOYSA-N 464.595 2.645 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(CN3CCOCC3)CCCCC2)CC1 1300712416 RQXIVHYNZRBFNQ-UHFFFAOYSA-N 470.662 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCCSC)CC1 1300726023 HLYCZIGQLOEPHE-UHFFFAOYSA-N 465.627 2.626 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300746611 UMNZBFJYYSWAEB-NVXWUHKLSA-N 490.427 2.797 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300861314 GGAGGQXHJJVWFW-CQSZACIVSA-N 473.393 2.644 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1300885053 NTKWKPLNYSNTAK-PBVWOCPUSA-N 489.642 2.998 30 10 JFEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1300984452 CCEPQDYHMVOBDL-SFHVURJKSA-N 464.526 2.567 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](OC)C(C)(C)C1 1300989276 NKGQLJNJMWMJTO-HXUWFJFHSA-N 455.607 2.906 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1300990691 XQFPANIJICMWJR-JOCHJYFZSA-N 488.654 2.595 30 10 JFEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1301009482 LHQRYIJRZCAUCN-UHFFFAOYSA-N 452.584 2.818 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1301188544 KXHPJMXPTCVKCR-FQEVSTJZSA-N 481.569 2.808 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CCC1(O)CCOCC1 1301337291 BOSLMMSZHRFXOU-UHFFFAOYSA-N 452.559 2.811 30 10 JFEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)N1CCCC1 1305817256 GCJKOXCBEFQWPI-JOCHJYFZSA-N 499.685 2.941 30 10 JFEE Cc1cc(C(=O)NC2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)c(C)o1 1312467735 BRLAPOOTTQHTDG-APWZRJJASA-N 459.547 2.559 30 10 JFEE CSc1ccc([C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)N(C)C)cc1 1312624943 GNBWQWKENVXPBT-VXKWHMMOSA-N 451.596 2.983 30 10 JFEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1314835167 HPCIBYLOWZWRLF-UHFFFAOYSA-N 463.933 2.748 30 10 JFEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)c(OC)n1 1315486651 IBOZJBXXMVCHRX-UHFFFAOYSA-N 489.580 2.972 30 10 JFEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4c(F)cc(C#N)cc4F)CC3)cccc2c1 1354751537 FRXGKXQPLRSOEQ-UHFFFAOYSA-N 456.474 2.840 30 10 JFEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CCOCC1 1354824802 KGXRXMKRZHSSHR-UHFFFAOYSA-N 457.390 2.655 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358968000 XGNRXEPSMMFPEW-FQEVSTJZSA-N 484.651 2.596 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1358991587 HNABIQPUUQTGEE-UHFFFAOYSA-N 499.619 2.929 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCN2CCCO)CC1 1359030441 WDOATXVGWPPNLS-RPWUZVMVSA-N 480.657 2.637 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1359038393 VAYAFUHPRPGLPW-RUZDIDTESA-N 480.657 2.586 30 10 JFEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1359146500 AMLBERJPQWPIHZ-LJQANCHMSA-N 498.031 2.909 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1359192950 SNRPIVRJUZQGHR-SANMLTNESA-N 482.629 2.958 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359221411 AVXQZMYJXMPUGT-FQEVSTJZSA-N 475.615 2.753 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1359260035 QIQBFLKQMQSIQA-ZBFHGGJFSA-N 473.521 2.644 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1359282083 QNULYNQUWPKVFU-OAQYLSRUSA-N 473.643 2.858 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359287176 QDPYFFXIXLHVFD-IBGZPJMESA-N 494.662 2.583 30 10 JFEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359289386 BKPWPSBBJHZJEA-UHFFFAOYSA-N 452.603 2.741 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359291914 DUMABLRFDXVMCF-ROUUACIJSA-N 472.565 2.553 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(=O)OC)C1 1359295976 SPMQIKKJBDZQFN-ZDUSSCGKSA-N 480.338 2.538 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 1359306297 BDRRTMNVUYATKW-XLIONFOSSA-N 452.559 2.877 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 1359307055 ZGYAQPSQMBTJGX-QGZVFWFLSA-N 477.631 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCSC1 1359327432 AMUOIXUIKBSYLE-ZDUSSCGKSA-N 460.423 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359335674 REUTVBXAMJBFIN-IYBDPMFKSA-N 453.609 2.638 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359336613 WGGOHHKDJHUIOX-UHFFFAOYSA-N 494.625 2.653 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359586191 CCSRPYJQGHMXNN-NRFANRHFSA-N 498.653 2.773 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1360021321 DYGVQUJZPKOVAR-UHFFFAOYSA-N 458.632 2.808 30 10 JFEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)OC 1463937493 GBWKGJWNWSOUOK-FCHUYYIVSA-N 452.507 2.510 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)c1 1465755434 JHAACZMROAWHIG-DNQXCXABSA-N 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466.508 2.752 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1301072508 JVWJZHKFUAJCGB-UHFFFAOYSA-N 472.659 2.531 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301149064 VWPHURYCJHWKBE-LJQANCHMSA-N 453.591 2.943 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301176332 WXVNJNKJERHNDS-LJQANCHMSA-N 472.615 2.745 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301281175 FOMSTZWIVBLQPG-UHFFFAOYSA-N 459.547 2.878 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1301568303 QPTXZXDLWNGJMA-VJANTYMQSA-N 473.540 2.668 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301585530 CHZZPAXWZIMILX-UYAOXDASSA-N 457.600 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301586256 JHSRGHALWVABEH-UHFFFAOYSA-N 485.654 2.882 30 10 JFEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1302790715 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C[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288590791 OXYVIBLNHLDNSK-OAHLLOKOSA-N 463.359 2.735 30 10 JFEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C 2296091215 DGTNMSNVDNLVDS-HXUWFJFHSA-N 484.509 2.700 30 10 JFEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C[C@H](N)C#Cc2ccc(Br)cc2)C1 2296295515 DUULITOQSIWHMM-IAGOWNOFSA-N 457.390 2.552 30 10 JFEE CC[C@@H]1[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2315698306 FWNYUMHUIHKPAF-HUUCEWRRSA-N 451.398 2.960 30 10 JFEE O=c1c(Br)c(NN=Cc2c(F)cccc2Cl)cnn1[C@@H]1CCS(=O)(=O)C1 2322659748 CBSVUURCNRYNCC-SECBINFHSA-N 463.716 2.604 30 10 JFEE O=C1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CN1Cc1ccccc1 2325923615 RKPLIKSDXYEDAR-GOSISDBHSA-N 496.549 2.765 30 10 JFEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1C(=O)O 2327840267 HHXAFSMQZDIPQH-MRXNPFEDSA-N 486.598 2.591 30 10 JFEE CC(C)COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccn1C 2327895070 KVIUIVALLBZCRA-INIZCTEOSA-N 460.604 2.905 30 10 JFEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330099866 OYOLOHUNTDZXKZ-NRFANRHFSA-N 452.507 2.672 30 10 JFEE COc1ccc(OC)c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(F)cc2)c1 2330731540 PVMZBQFVKQFCDV-UHFFFAOYSA-N 486.529 2.684 30 10 JFEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(C)cc2)c(OC)c1 2330737847 YEDUHOIRIQXDOF-UHFFFAOYSA-N 482.566 2.853 30 10 JFEE CCCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCCC)cc1 2330742719 DTDYEEBVUCDASO-UHFFFAOYSA-N 460.604 2.984 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1c[nH]c2ccccc12 2330770196 ZNNQDELCEFVBKN-UHFFFAOYSA-N 453.572 2.819 30 10 JFEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2336407148 DWXUEZOQQVJQCY-FQEVSTJZSA-N 456.295 2.953 30 10 JFEE COC[C@@]1(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OC(C)(C)C)C1 2362562924 VNAUEOVENPVSSY-JOCHJYFZSA-N 481.424 2.588 30 10 JFEE COc1[nH]c(=N[C@H]2C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365346686 XNSBEOSLUMIUDH-CIRFHOKZSA-N 459.396 2.915 30 10 JFEE CC(C)(C)OC(=O)N1CC2(C1)C[C@@](O)([C@H](N)C#Cc1ccccc1Br)CS2 2365378079 WNVGAQBKACTNIJ-UZLBHIALSA-N 453.402 2.985 30 10 JFEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1OC 21317019 DZZWEQYRXINLAF-OPEKNORGSA-N 477.497 2.854 30 10 JFEE COc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cc1OC 58995414 HDEKDIXJFVOUBV-KEBDBYFISA-N 457.472 2.907 30 10 JFEE COc1ccc(-c2ccc(Nc3ccc(C#N)cc3)nn2)cc1S(=O)(=O)N1CCOCC1 65009706 QDZFRYYDRHKRJZ-UHFFFAOYSA-N 451.508 2.788 30 10 JFEE C=CCn1c(=O)/c(=C/c2ccc(Cl)cc2)s/c1=C(\C#N)S(=O)(=O)c1ccc(C)cc1 105190560 KKEHZOBYZPEJES-YJNSJFLASA-N 456.976 2.992 30 10 JFEE COc1ccc(C=Nn2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1OC 254441823 ULEBCCHTHGFFOX-MRXNPFEDSA-N 474.521 2.975 30 10 JFEE CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488852431 JZDCCPXHNKQGMX-INIZCTEOSA-N 465.572 2.906 30 10 JFEE CCCOc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 585831225 QZGLNQKCUHCSCD-ADAXSZRHSA-N 489.572 2.837 30 10 JFEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 609404236 LYQXMGROUBFFLZ-ZDUSSCGKSA-N 456.490 2.936 30 10 JFEE Cc1ccc(C)c(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668808 RCXSKQOSADFGIG-UHFFFAOYSA-N 495.564 2.576 30 10 JFEE CCOCCn1c(=C(C#N)C(=O)c2cccc(Cl)c2)sc(=Cc2cnn3ccccc23)c1=O 729669018 HMZDHPSSBMXPCY-UHFFFAOYSA-N 478.961 2.633 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(CCCC)cc1 729669831 FPQHGWCLCHEYGL-UHFFFAOYSA-N 483.597 2.695 30 10 JFEE N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729672795 ISMHLHLVDLNNGC-UHFFFAOYSA-N 495.539 2.720 30 10 JFEE CC#CC[C@H](NC(=O)[C@@H]1CO[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)O 757206544 FXIALXAUCKRBBC-XFAGBWLFSA-N 476.529 2.913 30 10 JFEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@@H]1C(=O)O 757214621 WITWSOZOKVQTPI-VABKMULXSA-N 462.502 2.665 30 10 JFEE COc1cc(C=NNc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)n[nH]2)c([N+](=O)[O-])cc1O 1083911088 QPNHRVAZJOOBHZ-UHFFFAOYSA-N 485.482 2.807 30 10 JFEE CN(CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C(=O)c1ccc(Br)o1 1130341166 DNNQXSLHMPDHAD-UHFFFAOYSA-N 459.344 2.767 30 10 JFEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1226946526 HZEGYUZJRQBQIK-UHFFFAOYSA-N 453.591 2.849 30 10 JFEE C#CCCCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359732 IHPFHLXZEKIKOV-KDURUIRLSA-N 458.607 2.767 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1286381401 MLGWSKYASFRJCA-LJQANCHMSA-N 483.594 2.618 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(=O)(=O)CC 1286418238 DLYUUNBAANYCMN-UHFFFAOYSA-N 496.406 2.639 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cn(C2COC2)nn1 1286421620 YVDJGYVZIOKNCV-HXUWFJFHSA-N 459.554 2.709 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1286495662 BPGOXZQOUBRYIF-UWVAXJGDSA-N 477.656 2.851 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286496839 WQBLGDVQLFEVAP-IBGZPJMESA-N 475.640 2.527 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1286500782 YQJKQEBISPYYCN-QGZVFWFLSA-N 460.625 2.720 30 10 JFEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286506059 OXWGUZMNOIOUPH-UHFFFAOYSA-N 461.657 2.662 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1286509583 UFBWONXJZOFJPN-RBUKOAKNSA-N 460.625 2.549 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1286511869 FDXDSPGHLZSNHP-MSOLQXFVSA-N 465.620 2.568 30 10 JFEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286543739 PJULWBLWCHTUAT-HXUWFJFHSA-N 481.416 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286563049 IILHDDKJTOAYJD-VWPQPMDRSA-N 476.647 2.524 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1286587259 DANRZJNUNMJTDF-UHFFFAOYSA-N 463.567 2.518 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 1286604547 MMCNPCILYBYLDT-UHFFFAOYSA-N 453.341 2.517 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(CC)S(C)(=O)=O)CC1 1286650012 UJDYMQHLSPSEKP-UHFFFAOYSA-N 458.588 2.557 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc(C)s1 1286740781 WQOXXAAIYZGGRM-GOSISDBHSA-N 453.572 2.833 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1286741987 MEMLUQMWISPUOP-UHFFFAOYSA-N 499.623 2.995 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1286757027 CYNOBCNWLCKUBS-SFHVURJKSA-N 456.547 2.732 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286757761 VMFGJFDSLMZGRX-FYQPLNBISA-N 459.591 2.985 30 10 JFEE C=CCSCCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286836067 GRIFPOXWZDYKGD-APWZRJJASA-N 463.570 2.922 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H](C)C1 1286960614 HUDLDUOHAHPAKL-KZNAEPCWSA-N 460.604 2.606 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)n[nH]2)c1C 1294011942 YYQRXAWYRPTEAD-MRXNPFEDSA-N 457.560 2.501 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN1CCN(C(C)=O)CC1 1300280459 DRHOTNLNCITVEJ-OAHLLOKOSA-N 493.837 2.983 30 10 JFEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300422292 JTVMTVLHBIPZLG-NRFANRHFSA-N 480.569 2.872 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](F)c1ccc(Br)cc1 1300537321 DSXJUOFUBWGVFC-FUHWJXTLSA-N 479.375 2.726 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)NCC(F)(F)F 1300549075 WQVKDHHBYYHCRJ-UHFFFAOYSA-N 474.270 2.915 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1cc(Br)ccc1F 1300664574 RCBUTRSAORJMES-UHFFFAOYSA-N 459.323 2.965 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1300696068 SCXAXIAACLMNKT-PZJWPPBQSA-N 465.602 2.741 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC(F)(F)F)CC1 1300698540 USYJEUWKDBJIBH-UHFFFAOYSA-N 473.503 2.773 30 10 JFEE 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C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690471192 WUZLGMUTRPYPES-FQEVSTJZSA-N 473.021 2.986 30 10 JFEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690508703 NNZJMMXTKSBENK-IBGZPJMESA-N 456.547 3.000 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690668568 AIORGFGRZZVKLP-UHFFFAOYSA-N 477.569 2.786 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690671320 TYSTYWUICXRLSA-YLJYHZDGSA-N 488.633 2.699 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C2(CCC2)C1 1690671839 AEFAVKJSGFJWFG-MOPGFXCFSA-N 488.633 2.905 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1690673103 OIRYTQGCCAEMTI-UHFFFAOYSA-N 466.977 2.695 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCCCC2)cc1 1690680273 NLHBXGCSPQIQSA-OAQYLSRUSA-N 475.615 2.605 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 1690724376 NOERGIUBLNGCKJ-GOSISDBHSA-N 465.620 2.760 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 1690732267 XXERWWPVIDYVRP-KRWDZBQOSA-N 451.593 2.717 30 10 JFEE Cc1n[nH]cc1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1692915174 HPEQAWTUNRDQFO-SJORKVTESA-N 455.588 2.739 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1695022198 AAEKFYIMPNECNH-NZQKXSOJSA-N 496.612 2.665 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1695049690 CUDHQDANOHXAMB-HJPURHCSSA-N 458.538 2.957 30 10 JFEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCC1 1695132195 DWTAXCXDXQTIRF-UHFFFAOYSA-N 466.586 2.994 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2CCS(=O)(=O)CC2)c1 1705508544 XRMWOGFJWVEKTJ-UHFFFAOYSA-N 497.646 2.811 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCSC1 1705616564 KETHLZFFVBDPTH-IBGZPJMESA-N 451.390 2.947 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC[C@@H](OCC)C(C)C)CC1 1705638289 FVOJUXDJFWFJHW-HSZRJFAPSA-N 491.640 2.881 30 10 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455.603 2.915 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1286711324 MXKNSKMSZGTSRR-UHFFFAOYSA-N 467.549 2.940 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 1286711874 QEYMQDABWYIMPR-RBUKOAKNSA-N 465.595 2.794 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1286726138 BBUFXLZQRFRVBH-RKXCMPKHSA-N 455.625 2.756 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1c(O)nc2ccccc21 1286727690 XOXDTIUXAVNYSN-LJQANCHMSA-N 483.573 2.964 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1286760795 QFBXUCMRDHXTTK-UHFFFAOYSA-N 466.630 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)nnc1C(C)(C)C 1286824634 GDLKKLFFAYIFDN-KDURUIRLSA-N 467.680 2.502 30 10 JFEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286827309 KNMYKHLNDLMYKG-LJQANCHMSA-N 452.584 2.754 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286828426 MSGBKFFREZVCEI-SIKLNZKXSA-N 469.659 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467.551 2.742 30 10 JFEE COc1ccc(CC(=O)N[C@@H]2CCNC[C@H]2C(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1OC 585834293 DNODUUNEJXTQMK-TZNLOLHFSA-N 459.524 2.593 30 10 JFEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1OCC 609254544 RMLLCLZOLKHJAG-UHFFFAOYSA-N 490.557 2.711 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(OC)c(OC)c3)c2=O)c1 726579806 OSUCBRVTPSVQPO-UHFFFAOYSA-N 470.550 2.770 30 10 JFEE CC#CC[C@H](NC(=O)[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC)C(=O)O 757197172 AXGRHLOUGMUUSU-VXKWHMMOSA-N 450.491 2.523 30 10 JFEE C#CC[C@H](NC(=O)CN1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C(=O)O 757368103 QFOASSJYSGCYSF-DEOSSOPVSA-N 475.545 2.582 30 10 JFEE C=CCOC(=O)[C@H](CC(=O)N1CCc2c(ncn2-c2ccccc2)C1)NC(=O)OC(C)(C)C 929074606 PVNGEYNLMHNQQE-SFHVURJKSA-N 454.527 2.770 30 10 JFEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc(Br)cc1)n2C[C@@H](O)c1ccccc1 1081077659 QXYFIFIFKLWQCV-MRXNPFEDSA-N 483.326 2.778 30 10 JFEE CC(=O)O[C@@H]1CC[C@]2(C=NO)[C@@H]3CC[C@@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N(C)C2CC2)c1 1286311794 QBBQOADSILAXAM-UYAOXDASSA-N 450.587 2.711 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286314198 LTYPVBMQMLYFAJ-UHFFFAOYSA-N 489.584 2.634 30 10 JFEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1286340022 UUHLHKOECWYOJY-NHCUHLMSSA-N 492.580 2.980 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286388551 RFPXHBLVHGGFHH-LJQANCHMSA-N 488.017 2.524 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NCCC)c1 1286418406 BRQPIGQDYCGOLQ-UHFFFAOYSA-N 469.549 2.576 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1286437633 PLOULTXSQMEAOW-WNCULLNHSA-N 480.657 2.989 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NC1CCCCC1 1286459706 OVZDFHGFTFCXJM-UHFFFAOYSA-N 463.380 2.571 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC1(N(C)C)CCOCC1 1286528584 HAAMUWZXZFZKKT-XMMPIXPASA-N 453.587 2.969 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCOC1 1286530801 DRYJNAWPQXTAHC-AWEZNQCLSA-N 455.378 2.730 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1286549015 VXJOXVCKYSFTCQ-JXFKEZNVSA-N 465.558 2.683 30 10 JFEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1286680415 JLLZZXSLSXEZGP-SFHVURJKSA-N 452.559 2.790 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CCOCC)CC1 1286782480 WGFLIXYFRRWESS-UHFFFAOYSA-N 472.659 2.736 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286789167 PXOZNGJXXFAETB-GOSISDBHSA-N 451.600 2.511 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1286820650 OSAZQWKHJGMZEE-GJZGRUSLSA-N 452.527 2.785 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC(=O)N(C)C 1292064491 APCPNDYNGPUZOP-UHFFFAOYSA-N 481.601 2.594 30 10 JFEE CCOc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1296905601 HLHIWASKAWWUTI-OAQYLSRUSA-N 489.580 2.923 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCCO2 1300309108 GBEADAXXTNVGBI-MJGOQNOKSA-N 483.569 2.864 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)c1 1300332116 XJOZEXSRWCSFIS-BAGYTPMASA-N 494.596 2.667 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1300482578 GOJBNVRQORBYRC-YJBOKZPZSA-N 479.509 2.915 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)noc1C 1300560564 DNLLOZYZYZFKPH-UHFFFAOYSA-N 480.594 2.565 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300619462 XZBVIGFRVPHOAD-PMACEKPBSA-N 477.613 2.634 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1CCN(CCN(C)C)CC1 1300647669 IGIVXKWGEAKOPG-UHFFFAOYSA-N 476.604 2.788 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1300790214 MUHYXVKAKJLUOB-JOCHJYFZSA-N 458.584 2.922 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 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1705905121 KGCHBZXDTMZWGH-UHFFFAOYSA-N 487.395 2.595 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1 1705910023 PANZOHQANAKHAI-KRWDZBQOSA-N 453.465 2.797 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)N2CCOCC2)C1 1705916801 NVUWGNQAMSQAOF-SJLPKXTDSA-N 479.423 2.548 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1705931216 JHJONCXYCSFNPJ-GOSISDBHSA-N 480.656 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705933837 SRHCFSROQWIZLR-NRFANRHFSA-N 467.551 2.897 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1705939709 KSQKQPNHRDOYNB-DYESRHJHSA-N 465.645 2.560 30 10 JFEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccc(Br)cc1 1707911109 CWWDFZLTDXNBQH-OAHLLOKOSA-N 467.375 2.969 30 10 JFEE CO[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1711631610 DDADTVJFGUMFFR-QHCPKHFHSA-N 466.567 2.583 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCCC2)CC1 1712492639 FOSPPAOWEGSBSV-UHFFFAOYSA-N 481.645 2.762 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCSC2(C)C)c1 1722306864 GOZIBQKIXPABEW-IBGZPJMESA-N 480.638 2.988 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCSC2(C)C)c1 1722306871 GOZIBQKIXPABEW-LJQANCHMSA-N 480.638 2.988 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(CC)CC)N1CCOCC1 1722353537 XDJDDFRITPBGPL-HSZRJFAPSA-N 480.661 2.659 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N2CCC(C)CC2)CC1 1722442406 VZJNUVHWNIRBMM-NRFANRHFSA-N 454.594 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(O)CC(OCC)C2)CC1 1722444402 JHCWJZYQDGBLHI-CPXZFZLSSA-N 479.625 2.716 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCC(C)(C)C)CC1 1722458806 UDSPKSFBMANHMX-UHFFFAOYSA-N 458.632 2.930 30 10 JFEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN(CC)S(C)(=O)=O)CC1 1722560566 DPORSLQMZSDZCJ-UHFFFAOYSA-N 471.425 2.864 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCN(C)C2)CC1 1722580633 LZAPKADHFWKQSG-YDIMBITNSA-N 460.623 2.518 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722607921 NNSAXSNIHBQDQG-UHFFFAOYSA-N 465.480 2.787 30 10 JFEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722618532 KCZBLBGITSCUIB-UTKZUKDTSA-N 457.648 2.589 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 1722630181 WZYKZPXUUURCJA-QGZVFWFLSA-N 453.609 2.732 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722685412 GYWGRDQWTREHJS-HXUWFJFHSA-N 471.606 2.989 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1722700205 AFLOEAVPJQFOLN-HXUWFJFHSA-N 452.584 2.984 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2CCCO2)CC1 1722729120 FWBNNVLHRJKXLL-JOCHJYFZSA-N 474.627 2.874 30 10 JFEE CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1723124006 FBPYWHJORJXIRI-YADARESESA-N 485.658 2.756 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1scnc1C 1728903117 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KSPHAGUCSIATMB-HXUWFJFHSA-N 454.623 2.575 30 10 JFEE C=C(C)COCCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1740799850 YLZFAAUKKFWGBC-FQEVSTJZSA-N 461.529 2.597 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740853126 XRWKVSJTVCFSMK-DFBJGRDBSA-N 488.633 2.688 30 10 JFEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1740892608 JRBCBJBMCJLXPG-CPJSRVTESA-N 455.603 2.821 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1740913764 HGZCQVIFOBTZEH-CTNGQTDRSA-N 458.584 2.727 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740946952 MDHBMTQCMQFKJA-VGOFRKELSA-N 465.620 2.594 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 1740952620 JLACXMLVTYCIIS-QGZVFWFLSA-N 483.523 2.720 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1740976261 IWNMOAKGJCLJQX-AZUAARDMSA-N 452.534 2.548 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740994332 PJBHQSGPFKRDHO-CTNGQTDRSA-N 460.600 2.772 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCC[C@@H]1C 1742046489 BBHNLMKUVAJKDG-WJONJSRFSA-N 459.620 2.836 30 10 JFEE CC[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1744152752 CRUWAEWDTRZJNK-HKUYNNGSSA-N 480.573 2.549 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CNC(=O)OC(C)(C)C 1748664289 FUAQTYRUQPKBPC-IAGOWNOFSA-N 479.585 2.811 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCC(C)C)c1 1748690437 RKTGONURTDDLQZ-SANMLTNESA-N 480.613 2.758 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1748740036 KMHPEQXOQBOSTL-HSZRJFAPSA-N 496.656 2.607 30 10 JFEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1748757755 JYZGLQWAOABAGV-UHFFFAOYSA-N 452.515 2.770 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nc(C(F)(F)F)cs1 1748779299 FDTZBYFEURIQEO-UHFFFAOYSA-N 459.461 2.708 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748806132 ZPOASGGBZDSFGC-SCWSEQNSSA-N 476.574 2.609 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815469 QMZRWXZSDUQLCR-YSFYHYPLSA-N 491.702 2.555 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1748818911 HPWDQQIMFADBFX-FQEVSTJZSA-N 499.662 2.766 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1nccs1 1748970999 ZQPGEMWJFMBZAB-CALCHBBNSA-N 460.604 2.834 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccsc2Br)CC1 1748978920 UDASNSFOTRPJBI-NRFANRHFSA-N 494.459 2.946 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1748999488 XWVJTAABKQPGMY-UHFFFAOYSA-N 476.610 2.681 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 1749004017 CGGPIKGKVKPNFZ-QHCPKHFHSA-N 497.665 2.611 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749043002 CCZLFVCFGJUHQF-LPHOPBHVSA-N 473.647 2.856 30 10 JFEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749098503 BSMCMXQAOLSJKK-GOSISDBHSA-N 458.364 2.967 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1749141469 DPCMAPDYJXCECS-HXUWFJFHSA-N 454.575 2.985 30 10 JFEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749347376 PAURDAUJWAYFQC-JOCHJYFZSA-N 478.640 2.531 30 10 JFEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749409218 SWJJTTXSHJQMHF-UHFFFAOYSA-N 453.522 2.939 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1749676061 CFDANPTXURJGSI-OAQYLSRUSA-N 462.554 2.925 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCC(C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682103 OMIQNFMMQVMSIE-NVQXNPDNSA-N 488.677 2.569 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1750066006 FFHWVRCHWNAIBL-DJJJIMSYSA-N 451.344 2.509 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCN(C(=O)OC)CC1 1760102544 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C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H]1C(=C)C 1705883566 NAUDWZQMRVKYAJ-AVRDEDQJSA-N 464.570 2.812 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1705932260 ADJDROGFOWRLFF-HXUWFJFHSA-N 460.600 2.807 30 10 JFEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)s1 1707849980 CLDZIGIXSHIDRJ-UHFFFAOYSA-N 450.572 2.766 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCc2nnc(C)s2)c1 1722310615 XTRQTMWKTWALGG-IBGZPJMESA-N 465.583 2.979 30 10 JFEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)CN1CCOCC1 1722343685 NVRMEOZAPHMODK-OAHLLOKOSA-N 450.356 2.884 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722358576 DHBLFKCWCRPULT-VQTJNVASSA-N 459.616 2.594 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1722364368 GBWNRPRRFDGERD-HUUCEWRRSA-N 454.568 2.525 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722365611 NDVKJIOKFHFMBS-LJQANCHMSA-N 462.641 2.764 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1722366495 QPCDKSRCNZNATC-QHCPKHFHSA-N 493.633 2.974 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(OC)nc2ccccc12 1722387027 QMZUGYMMOGSRIV-UHFFFAOYSA-N 470.558 2.948 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCN(c2ccncc2)CC1 1722392057 FCBPUYRNRPIMRF-UHFFFAOYSA-N 478.604 2.887 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722420757 LDHRLMDXONCCFP-ROUUACIJSA-N 493.450 2.631 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2CCOCC2)CC1 1722443152 ODQXXEBJEOPZNQ-UHFFFAOYSA-N 471.989 3.000 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1722493066 IHMQIZHXVMPPMZ-GCJKJVERSA-N 485.585 2.621 30 10 JFEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722524571 CROFAVYAJVVSJC-QGZVFWFLSA-N 489.374 2.668 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](OC)C(C)(C)C1 1722534272 LJCAYSMSKCERPC-SFHVURJKSA-N 462.620 2.692 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1722616819 DAFXMXWQFMSTOE-LEWJYISDSA-N 475.615 2.625 30 10 JFEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722621049 MNZJCLRAJJTTSF-FQEVSTJZSA-N 468.602 2.575 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1722657385 ZYYMJGORHZZUSM-QPPBQGQZSA-N 463.630 2.872 30 10 JFEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(CC(F)(F)F)CC1 1722687454 AFIHZCUKMRMSPR-UHFFFAOYSA-N 477.579 2.903 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC2COC(C)(C)OC2)cc1 1722706124 OGLWOJZQRJCPQZ-HXUWFJFHSA-N 455.559 2.678 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722706452 SIUASTUBGGKMFH-NRFANRHFSA-N 485.482 2.828 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1722706986 CMBYAHUTQOOODU-UYAOXDASSA-N 460.600 2.656 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)c2cc[nH]n2)C1 1722714664 JNVGPUWCQSNFAE-HNNXBMFYSA-N 486.374 2.642 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(CC)c2)C1 1722718942 OWZFZDMVZWIMFG-PMACEKPBSA-N 487.605 2.633 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CCCC)C1 1722719156 REXRLKNUQIWASO-NJDAHSKKSA-N 465.664 2.616 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C1 1722727090 LKFRPPTZCKRPEX-MSOLQXFVSA-N 467.636 2.840 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1722742824 IMUDTZXORSHNSD-UHFFFAOYSA-N 489.045 2.936 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1)OC 1726858643 BGVCCTZGNKUYJR-DYESRHJHSA-N 454.575 2.752 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1727927376 DXOOKUUYUHCTHR-OSWQYVSFSA-N 466.586 2.753 30 10 JFEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1729827293 CXSPWSTXHOESSM-UTKZUKDTSA-N 472.615 2.682 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1740622030 SJPRJVNFXPNWSB-LJQANCHMSA-N 468.583 2.907 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622126 UWDNGCFXJUHBDX-KNQAVFIVSA-N 473.618 2.831 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1740640349 LGAGWSSALNSVKI-MZKRTTBSSA-N 463.582 2.751 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(=O)N(C)C)c1 1740644812 VCFJIBYEXUTYBY-SZPZYZBQSA-N 490.608 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(CC)nn(C)c2CC)CC1 1740702125 WHXPAIWXZULURG-UHFFFAOYSA-N 495.031 2.866 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740755726 LJFNIBWZKXDGSN-GIVPXCGWSA-N 460.600 2.948 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1740824653 QDYPMVTVAPPDRZ-WMZHIEFXSA-N 469.577 2.831 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1740843647 MUVTTYIIQOXSIA-GOSISDBHSA-N 452.669 2.945 30 10 JFEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N1CCSCC1 1740895362 GWBPUZXJEALDSE-UHFFFAOYSA-N 486.461 2.708 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCc1nc(C)no1 1740914799 ZVFNJDIVNOJSEZ-UHFFFAOYSA-N 460.542 2.903 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1ccco1 1740960445 RXGPDMYLAPPZOV-DLBZAZTESA-N 474.562 2.679 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740985526 IHPSGXBXCUFIMY-KBXCAEBGSA-N 452.543 2.922 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3CCN(C(C)C)C(C)C)CC2)c1C#N 1742668467 BMZNBHUGHFZYTC-UHFFFAOYSA-N 476.633 2.699 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C[S@](C)=O)cc2)CCOC1 1746674773 HNSHYMRGTBMMPV-UDNBHOFDSA-N 457.600 2.597 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[C@H](OC)C(F)(F)F)c1 1748693049 WQAMUVJXRZQXIC-SFHVURJKSA-N 473.459 2.759 30 10 JFEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(NC(=O)COC)CC1 1748738399 BCAKJUFOOXTQDR-UHFFFAOYSA-N 478.366 2.992 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1748890977 XGYYKOSHMSQEJM-XMMPIXPASA-N 461.610 2.640 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(OC)cc1OC 1748921188 XWADPMDUPNHEPR-UHFFFAOYSA-N 482.610 2.958 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1748984932 WXQVYXOIOUQJOI-OYRHEFFESA-N 496.656 2.605 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H](OC)C(F)(F)F)CC1 1748993294 UGCRPMRQWHPQEY-LJQANCHMSA-N 451.493 2.600 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc3c(cc2C1)CCCC3 1749023902 ZMOXVGGWXHPQFZ-QGZVFWFLSA-N 473.668 2.696 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749044067 NNTCJFRINMNQQR-UHFFFAOYSA-N 464.624 2.594 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1749110145 HPRZGQXQUUJCFR-UHFFFAOYSA-N 487.402 2.938 30 10 JFEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749241373 KUOQTDFRSVGBNR-SANMLTNESA-N 499.612 2.579 30 10 JFEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1749464698 BYKYTIOGZNDIJG-FPOVZHCZSA-N 460.648 2.813 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749739456 BSPMHWPANJGXLV-WMLDXEAASA-N 492.495 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1749739664 IWMSLZRYPKYZGW-UHFFFAOYSA-N 491.683 2.784 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749760844 OQPYDEZSIVOJNS-UHFFFAOYSA-N 494.650 2.782 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cc(F)ccc1N1CCOCC1 1760208872 LPYDKHMPZDHYTA-UHFFFAOYSA-N 480.588 2.683 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C(F)(F)F)CC1 1760263981 XCXWBCJMHMXJEU-ICSRJNTNSA-N 463.504 2.824 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2noc(CC)n2)CC1 1760266640 HEQBIRBVQCJZSI-UHFFFAOYSA-N 467.961 2.752 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1CN(C(=O)OC(C)(C)C)C1 1760299424 UJAXQZFVGPTMJE-AXHZCLLHSA-N 459.591 2.861 30 10 JFEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760347544 IXZAFXFNGHCVLG-HXUWFJFHSA-N 461.636 2.547 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760407236 XRVTWBTWUJUMEJ-MRXNPFEDSA-N 470.640 2.548 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1760431723 ABCUPOLATGPLPF-LJQANCHMSA-N 474.631 2.515 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2ccsc2)CC1 1760507715 ZVRWMAIQARMAIZ-UHFFFAOYSA-N 472.640 2.765 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760510268 OVBBHECGULOMQC-FXKZBUDASA-N 463.579 2.545 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760520047 YNAIOQHSGXLCRL-IBGZPJMESA-N 461.570 2.538 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1760786023 DJJJVYRLRUSYQA-IBGZPJMESA-N 477.573 2.850 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1765549970 AKWQXDIOHUPLRP-DVECYGJZSA-N 455.582 2.669 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)ccc1OC(C)C 1768279604 AVUFYVLZUPKTEF-OAQYLSRUSA-N 482.585 2.728 30 10 JFEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1cc(Br)cs1 1769846822 IERVERVXJCIQSD-UHFFFAOYSA-N 467.393 2.639 30 10 JFEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCC)cc2)SC1=Nc1ccc(S(N)(=O)=O)cc1 1772721590 NVSHFNPTBSJVPK-IBGZPJMESA-N 488.591 2.879 30 10 JFEE COCCN([C@@H](C#N)c1cccc(Br)c1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C 1857958439 ODECTCMBZQELDG-IBGZPJMESA-N 478.368 2.870 30 10 JFEE CN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858272573 VYMDBQPOUSMMCP-UHFFFAOYSA-N 495.483 2.518 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)N3CCC(=O)CC3)cc21 1858829002 FKTJYVLHBCRRRM-MRXNPFEDSA-N 478.505 2.840 30 10 JFEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858987898 QXHSFODHPCMINJ-UHFFFAOYSA-N 452.536 2.603 30 10 JFEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCCN(C)C)cc(OC)c1O 1862564434 AIYNAVAMIAGQBI-NRFANRHFSA-N 469.538 2.912 30 10 JFEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862602454 CDWBAXUPAYNXHR-NRFANRHFSA-N 483.477 2.602 30 10 JFEE CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862643185 MDVBKVRQGDMCGA-OAQYLSRUSA-N 472.469 2.653 30 10 JFEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863337238 DNAYSQOMYAUAGH-UHFFFAOYSA-N 483.546 2.678 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864892459 JCOJYPZPZVGTTI-LJQANCHMSA-N 489.488 2.763 30 10 JFEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4cc[nH]c4c3)CC2=O)cc1 1870150680 GPOSCIOCKZSEQA-KRWDZBQOSA-N 483.488 2.789 30 10 JFEE CC1CCN(Cc2cc(=O)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)cn2CCCO)CC1 1870324664 URBCCWGASXNONQ-UHFFFAOYSA-N 484.622 2.902 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCCC)cc2)c(=O)cc1CN1CCN(CC)CC1 1870389140 CWBLGOGKKUBBOW-UHFFFAOYSA-N 496.608 2.756 30 10 JFEE CCCCCCCCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN(C)CCO 1870570095 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C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 1286485960 DOJCMQQCNCXYSW-MEMLXQNLSA-N 462.598 2.809 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286499835 PGIMSBGLJHEYND-OAQYLSRUSA-N 450.612 2.732 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccc(C)s1 1286524041 CRVZTJXRIDBUDE-JOCHJYFZSA-N 470.624 2.604 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286530103 GFHAODYHDSSZCG-CQSZACIVSA-N 467.412 2.600 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286666733 LGVYWEJQUCXOKH-UHFFFAOYSA-N 466.590 2.866 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1286701151 VTQUYYNWNAWHBL-JOCHJYFZSA-N 482.610 2.743 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC(C)C 1286718479 LBLFEYCBMDYERS-UHFFFAOYSA-N 472.409 2.666 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1286757221 IWZCJHDQSOYOSB-SFHVURJKSA-N 487.605 2.559 30 10 JFEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1286790832 XVZMHWMLRCMVNT-FQEVSTJZSA-N 465.602 2.879 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1286794879 BJABEUKSKNNADL-AEFFLSMTSA-N 465.645 2.833 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286796780 NVAGAGJLXRVHJH-LJQANCHMSA-N 496.593 2.552 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1286816507 FVHQTCNTENJKRD-UHFFFAOYSA-N 496.637 2.707 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286818264 UZLYIPOHZUCFHC-LJQANCHMSA-N 465.664 2.867 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286825301 OQGGLTUTPYMQIA-FHWLQOOXSA-N 497.662 2.955 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 1289958327 SIOHROCJCSKKGR-AEFFLSMTSA-N 456.543 2.515 30 10 JFEE COc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(OC)c1OC 1293348379 AWFMCEGXZFLRJU-IBGZPJMESA-N 451.523 2.912 30 10 JFEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CCO1 1293636477 CDICGGWEWWGUJF-FQEVSTJZSA-N 468.558 2.822 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCc1nnc(C)s1 1297274782 CNADJFHFAAPEQP-UHFFFAOYSA-N 456.551 2.555 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2s1 1300311335 SBRKIMHJHCGHOS-VQIMIIECSA-N 473.624 2.526 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300392557 ZOWYOIGZBJBUJW-LJQANCHMSA-N 470.021 2.930 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2CCOC[C@H]2C1 1300422389 LXGCXKSCWWWTDP-GOSISDBHSA-N 460.376 2.554 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1300488349 RDPIFKVLIPQTCD-GOSISDBHSA-N 468.583 2.907 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300495540 IKBKKEOIPUWBKM-HLAWJBBLSA-N 493.029 2.840 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1300548237 YCXYXJQPDSLLEG-QFIPXVFZSA-N 488.592 2.757 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1300553807 TYNADKCBYPWMNP-UHFFFAOYSA-N 472.593 2.651 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C2CC2)C1=O 1300559325 OUSLUOXSJMJBNG-NRFANRHFSA-N 455.360 2.510 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC2CCCCC2)CC1 1300727092 VQKNZIXAYGQAGS-UHFFFAOYSA-N 494.615 2.813 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1300801876 DUNAPVIPEMOZSA-AVRWGWEMSA-N 496.616 2.538 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1300830596 HHFBLIBLJPFYPD-HNNXBMFYSA-N 499.435 2.548 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300873238 FDXPSZVQFTUUMJ-FIKGOQFSSA-N 478.615 2.813 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1300876410 QLPGCTHBWKVENW-XZOQPEGZSA-N 478.597 2.777 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccnc(C)n2)CC1 1300877310 XDELKCQHVFUGAR-DENIHFKCSA-N 482.633 2.603 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300881523 PBYQLIACMVVOFU-GHTZIAJQSA-N 468.583 2.756 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1300915277 LWCATAIENHKGAZ-QFIPXVFZSA-N 487.670 2.840 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1300988546 FWSCMYHUSABQPF-PMACEKPBSA-N 488.633 2.796 30 10 JFEE C=CC[C@H](Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301168427 OVNLUYGTAQOJSE-RCZVLFRGSA-N 453.587 2.959 30 10 JFEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1301217071 YFRFFYQXTRTFLC-KRWDZBQOSA-N 460.941 2.950 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301223101 MUMWZVKHBXYSEM-OALUTQOASA-N 497.662 2.956 30 10 JFEE C=CCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301235016 SZNJJFLVBOQJOI-VWLOTQADSA-N 469.586 2.953 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301340679 BNSMJHWKGLGEHH-HSZRJFAPSA-N 491.621 2.610 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1301425884 ZOIBBKIWDHHSAV-INIZCTEOSA-N 469.405 2.630 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1301483222 KYNYCVHAUQPYJC-SFHVURJKSA-N 460.529 2.913 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)C[C@H](C)C#N)C1 1303204077 FMPGONKBKIWDJB-DXIQSLLYSA-N 454.575 2.743 30 10 JFEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccccc1F 1303686210 GBNMOXLGNRPRDI-WHSLLNHNSA-N 464.567 2.625 30 10 JFEE Cc1nsc(N2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)(C)C)CC2)n1 1304901471 FJBLPUPNRZOHTB-UHFFFAOYSA-N 493.641 2.856 30 10 JFEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)OC 1315791607 AUPMNFFIJACMHS-KNQAVFIVSA-N 455.559 2.500 30 10 JFEE C=CCN(C(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC)C1CC1 1357799638 TXKCJGHUZIFAMD-IFXJQAMLSA-N 456.008 2.912 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cccc(OC)c1 1358876186 DNLSTJSXCOTRTE-AWEZNQCLSA-N 471.359 2.932 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358990891 GJSPNHJHWAEVLK-VWLOTQADSA-N 485.636 2.842 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)c1ccccc1 1359001957 INFSVDSUXTWRMQ-UHFFFAOYSA-N 476.400 2.980 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](C)C2)CC1 1359042205 WVIMPNQCTGFQCE-RBUKOAKNSA-N 483.638 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(OC)CCCC2)CC1 1359042623 NRAOVMILNKSIFA-UHFFFAOYSA-N 481.597 2.887 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2sccc2C)CC1 1359046944 LRQRHTFQLYBJBR-UHFFFAOYSA-N 465.627 2.718 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359084059 XAMQOUKZYWDFJO-MJGOQNOKSA-N 495.466 2.998 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359091565 OXOTZNLCHCLSIP-MSYCTHLASA-N 487.576 2.833 30 10 JFEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1359225679 HLOHXLSPOWEOLK-UHFFFAOYSA-N 493.612 2.716 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1359226791 MOEJTCOEPKOGSY-HXUWFJFHSA-N 457.550 2.866 30 10 JFEE C#CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)[C@@H]1CCOc2ccc(Br)cc21 1360552284 OKXFBRZNJCAXRW-SOLBZPMBSA-N 459.340 2.910 30 10 JFEE C=CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1435176959 RNWVDGRSDMUYBL-SFHVURJKSA-N 459.524 2.877 30 10 JFEE CC#CCCNC(=O)Cc1cc(I)cc(I)c1 1446921599 FZUJADPNDZHNNK-UHFFFAOYSA-N 453.061 2.968 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)nnc12 1457734612 YSVINOLIWIXNKN-AEFFLSMTSA-N 455.584 2.578 30 10 JFEE C#C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1)C1CCOCC1 1461718246 WJRWUOLUVFJMAQ-CYBMUJFWSA-N 452.330 2.838 30 10 JFEE C#CCN(CC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)C(=O)OC(C)(C)C 1468083995 SEOLIROBBVQUJE-OAHLLOKOSA-N 457.340 2.726 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCN(CCN(C)C)CC1 1507613283 ZRFVGGYSZKAVPV-UHFFFAOYSA-N 487.693 2.736 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507623647 VBPHRITZYWKRST-NQIIRXRSSA-N 461.607 2.689 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1507630806 HXUWAEOOSQMOBO-HNNXBMFYSA-N 462.626 2.539 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507631045 LEUKLJPVDGZLSY-PZJWPPBQSA-N 496.637 2.957 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507633486 GCCUHMSCEUFHPN-UPVQGACJSA-N 483.682 2.924 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1507692350 WUZFENVGUOMQHI-LJQANCHMSA-N 457.579 2.641 30 10 JFEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1507694691 QMAMVKKCZIAEQL-GOSISDBHSA-N 456.591 2.650 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507707802 DEHCAMKYQJKKJZ-UHFFFAOYSA-N 493.511 2.920 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C(=O)NCC)CCC2)CC1 1507732264 DOXWTEHDSZNVLD-UHFFFAOYSA-N 482.654 2.641 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCSCC(F)(F)F)CC1 1507740749 YBPBNUMJKAYQKB-UHFFFAOYSA-N 466.533 2.525 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ncc(Cl)n1C 1507755570 FVVFXTXQZPMLFP-UHFFFAOYSA-N 454.991 2.906 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508052058 QNBYLUSGEAEPDU-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3cc(C)no3)CC2)cc1 1508096349 GEWWPXYKHUIVAI-UHFFFAOYSA-N 479.585 2.648 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1508143007 WAKGPRNAHNWDEG-OALUTQOASA-N 476.574 2.621 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(COC)cc(C(=O)OCC)c2)ccc1F 1526700398 OCBNNHKRZBOSIC-UHFFFAOYSA-N 450.488 2.865 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(Br)cc(OC)c2)c1 1535252861 HWIBBNXNHFYSGG-UHFFFAOYSA-N 457.324 2.945 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CN(CC(C)C)CCO2)c1 1539040620 ZCYYAYIRRDHWOJ-XMMPIXPASA-N 487.608 2.753 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ncccc2N(C)C)c1 1539045667 HLPPCEGWOPCNBM-UHFFFAOYSA-N 497.607 2.705 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1539053770 ZTHVBVUSMZMUTK-SFHVURJKSA-N 488.633 2.862 30 10 JFEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1539063454 QIQBZMRFGJHVRG-JTHBVZDNSA-N 463.630 2.961 30 10 JFEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539082590 XKEKINIOTPBFOR-UHFFFAOYSA-N 461.570 2.864 30 10 JFEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539142099 KENAWMZWYVGZGJ-WOJBJXKFSA-N 465.664 2.860 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1C)[C@@H]1CCS(=O)(=O)C1 1539223222 ZQDXZPXIOYVFHA-IEBWSBKVSA-N 482.528 2.784 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCCC1 1539259383 CRXXWIBGOZKBET-UHFFFAOYSA-N 457.582 2.624 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1539338693 YHXSXPHWECCOKW-YADHBBJMSA-N 484.645 2.781 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(F)c(F)c1F 1539397087 XUZOEMDMHSUWEK-UHFFFAOYSA-N 458.444 2.671 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCSCC2)cc1 1539420174 DDSJZMMYQRBZQZ-UHFFFAOYSA-N 479.654 2.827 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CCN2CCCC2)CC1 1539470481 RGIYUKAMGMFYQA-UHFFFAOYSA-N 491.459 2.831 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539475387 DNEOITXDAXJDOU-NHCUHLMSSA-N 463.630 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnc(C)s2)CC1 1539487971 CIRDLBMVZNCXPC-UHFFFAOYSA-N 480.594 2.645 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2c(C)noc2C)CC1 1539488464 JMTSAMBVXYYLMB-UHFFFAOYSA-N 462.554 2.519 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539743540 JSGPXIOLNNIAJI-UHFFFAOYSA-N 466.590 2.700 30 10 JFEE C=C(Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)c1ccccc1 1539771626 ZNTJVBNRCNPFGY-UHFFFAOYSA-N 450.587 2.560 30 10 JFEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(CC(F)(F)F)CC1 1540868368 BTIYFENRKWQUDC-UHFFFAOYSA-N 461.492 2.803 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)COCCO2)C1 1540884083 JTCBEVXXWVISFD-OXJNMPFZSA-N 466.380 2.633 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1540899643 WJDZUVXXYBMFJG-UHFFFAOYSA-N 458.588 2.869 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCC2)C1 1540909019 VGDGGQPTZVEJRY-SFHVURJKSA-N 495.646 2.710 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)Cc1ccccc1 1541804751 BLKAJOFRMXCTHA-IBGZPJMESA-N 477.594 2.870 30 10 JFEE C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120469 ACGDZIGMDBPXCH-CQSZACIVSA-N 451.907 2.651 30 10 JFEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1548009922 CNHNAUBPMFTVMG-FQEVSTJZSA-N 466.567 2.672 30 10 JFEE C=CC[C@H](C)NC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1586201312 TWUQFTHXFUJROV-IBGZPJMESA-N 457.534 2.537 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1587581066 UWODXHFWEPLJKN-HNNXBMFYSA-N 497.568 2.967 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588034531 IEKSGMIAKQNRFV-QGZVFWFLSA-N 498.447 2.725 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588053369 DJKQLKYYRGNNGD-LEWJYISDSA-N 474.652 2.651 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588064752 OJYSEALSQREBJE-LJQANCHMSA-N 485.997 2.601 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588073727 CCQWWXFYABCLDG-IRFCIJBXSA-N 458.584 2.532 30 10 JFEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1588074063 IFBBNAIXSOJZQU-KRWDZBQOSA-N 469.032 2.887 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCN1CCCC 1588110107 VIMYZJOPEKASAG-QHCPKHFHSA-N 457.586 2.648 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1cccc(Cl)c1 1588574750 RFMDFGBDIQRZBG-HSZRJFAPSA-N 468.945 2.573 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(Br)c2)CC1 1588811227 DANBORQKZDRYSX-LJQANCHMSA-N 488.430 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccccc2C)CC1 1588885226 SVUKKGBQBKYCOY-UHFFFAOYSA-N 464.614 2.713 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(OC(F)F)c2)CC1 1588908323 OUBBGYXRLAGTLI-UHFFFAOYSA-N 491.502 2.827 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](F)COC)CC1 1588908395 QJDMBZAWGJIJRU-INIZCTEOSA-N 496.356 2.797 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1588961633 GWROPHZNSAEXIW-JOCHJYFZSA-N 478.641 2.863 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1588992949 AEADBLMHFFVHFT-UGKGYDQZSA-N 455.628 2.867 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589070653 VSFSNJREUATFOZ-CTNGQTDRSA-N 460.692 2.612 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccccc1N1CCOCC1 1589151391 YHDMXQQATBLGJN-NBGIEHNGSA-N 453.587 2.879 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589556895 FIPKJBCWLVNZHD-QRFRQXIXSA-N 465.645 2.628 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1593636799 SJLAFPKJQAJNSK-QZTJIDSGSA-N 475.615 2.854 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1593746680 KUYHNYASROFVHQ-INIZCTEOSA-N 482.006 2.501 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1594812216 DDRDZJQMSQPXTE-CPJSRVTESA-N 491.633 2.981 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCOCC1 1595093989 KEKAAYMZFRQPJF-UHFFFAOYSA-N 460.586 2.854 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1595170811 KILAVOOQMBZFOA-LEWJYISDSA-N 456.635 2.935 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1595330517 WVRMQBLXLSZSDZ-GHTZIAJQSA-N 498.628 2.536 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1595398987 NAVGLMRITAFBPK-RTBURBONSA-N 494.662 2.583 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1595577545 WRCKYQKTIATVKY-FQEVSTJZSA-N 499.685 2.664 30 10 JFEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595650171 YJFCUKQOKNRQJL-UHFFFAOYSA-N 454.575 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OC)c(C)c1 1595789338 QYTYENCUKRYSBQ-UHFFFAOYSA-N 487.582 2.560 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 1626150649 XPDDUXFMLAHVQY-UHFFFAOYSA-N 454.533 2.636 30 10 JFEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4cc(O)ncc4Br)CC3)n[nH]2)cc1 1628706132 HQWOCXIXPJTJGU-UHFFFAOYSA-N 453.300 2.774 30 10 JFEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)CC1 1633141330 VXCMUKVEABCDCE-QGZVFWFLSA-N 453.402 2.677 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 1667321763 FQXOUGFTNNZBCC-UHFFFAOYSA-N 457.600 2.567 30 10 JFEE C#CC1CCN(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 1672413500 JZLORPNTPVNWSE-KRWDZBQOSA-N 454.390 2.657 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1689826747 UGPCULAUXQCXHG-HKUYNNGSSA-N 481.988 2.720 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1689852563 HKZRRLZFYCZBPW-IPMKNSEASA-N 469.590 2.504 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2nnc(C)s2)c1 1689871945 JONCPJLZNVOLAI-UHFFFAOYSA-N 458.551 2.528 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@@H]2C)c1 1689873685 SILAGRTYLJLMOJ-AVRDEDQJSA-N 475.597 2.869 30 10 JFEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1689879737 FXNBEUJFGMDJFX-UHFFFAOYSA-N 476.625 2.973 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689980271 OYURKEWEXCGIRK-PKOBYXMFSA-N 460.600 2.678 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1689988114 JKLXJTCSYQTLIQ-LJQANCHMSA-N 455.971 2.977 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1690032564 DSQZVGGCAXRJSU-WOJBJXKFSA-N 470.595 2.714 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Br)ccc1OC 1690045903 SRTHKPAFWJKSRV-QGZVFWFLSA-N 456.344 2.512 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1690159761 LQIDSUVRLHKXQO-UHFFFAOYSA-N 490.651 2.837 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCOCC1 1690195671 NODCYELZXYDIPO-HRAATJIYSA-N 461.408 2.996 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690218853 UMWHYYUDRDGEGX-AEFFLSMTSA-N 483.455 2.652 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1690308274 IBYADLHZYJQYRU-QHCPKHFHSA-N 450.587 2.732 30 10 JFEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690511276 VVLNAXDJRFAUPY-SFHVURJKSA-N 454.531 2.598 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1Cc1ccc(C)n(C)c1=O 1690560262 RQKGFLSXIAZZKO-UHFFFAOYSA-N 452.522 2.855 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1690560401 SYJZWXBOEPEBHA-FQEVSTJZSA-N 484.626 2.549 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cc(C)cc(C)c2)C1 1690700026 MSQNRQOGGCUKSZ-PMACEKPBSA-N 460.600 2.657 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1690742394 PGDJVNYRBNXWLA-FQEVSTJZSA-N 468.627 2.856 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1692341303 GORVPEZNAOBGQQ-SFHVURJKSA-N 473.603 2.659 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCO[C@@H]2C)cc1C 1693110365 CXBQXKBTZFNKKD-KOSHJBKYSA-N 452.559 2.817 30 10 JFEE CC[C@@H](C)N(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1694200760 GGYRIQKBBGQAFV-QGZVFWFLSA-N 458.636 2.708 30 10 JFEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1)N1CCCC1 1694449449 HVUBRHBNSCPMPC-NHCUHLMSSA-N 466.586 2.993 30 10 JFEE CCN(CC)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1695624887 CYONFSGUYOYLBU-QFIPXVFZSA-N 472.553 2.747 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@@H]2C(=C)C)c1 1705504787 DUBABJGQBMWZDU-WMZHIEFXSA-N 457.538 2.773 30 10 JFEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705530270 VYEZELDYXKAIKS-RTWAWAEBSA-N 451.619 2.514 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705564345 BTCFLZRYRVKYBK-UXHICEINSA-N 474.652 2.900 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705600712 JTDRMXCEDVMBOR-SANMLTNESA-N 485.636 2.894 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC[S@](=O)C(C)(C)C)CC1 1705643042 QOLIMWPEXJFVMJ-YTTGMZPUSA-N 457.644 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1705651086 IXUQKAFRFARQLV-FPOVZHCZSA-N 464.545 2.833 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cn(CCCCC)nc2C)CC1 1705652815 OOKVRXPGFWKUKX-JOCHJYFZSA-N 467.618 2.839 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705655272 KATQSJSFOSNHHT-NRFANRHFSA-N 482.578 2.928 30 10 JFEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705661557 FCBKEEZDPKAMTH-GHTZIAJQSA-N 469.611 2.898 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1705674711 ORNNELZCBFJQJV-GLYQVZKVSA-N 459.591 2.740 30 10 JFEE C=C(Br)Cn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692338 GSXJPRHBVXGURB-NRFANRHFSA-N 482.423 2.676 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705696774 QJAYKIVTGBIMFA-UEXGIBASSA-N 476.599 2.567 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705733116 ITSSFZPMVBOAHJ-KRWDZBQOSA-N 483.038 2.694 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2cnnn2)CC1 1705768340 POLWNTBFNXGKIY-SFHVURJKSA-N 457.583 2.626 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1705787863 HEANGSQYNXBKIW-UHFFFAOYSA-N 461.588 2.794 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1705866894 CGCSOFCEGMOHSA-SQJMNOBHSA-N 451.619 2.699 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1705878619 VGIKFRXGJSUUEI-QFIPXVFZSA-N 468.627 2.810 30 10 JFEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705891300 SDXBPOSLPSMOMR-JOCHJYFZSA-N 459.038 2.940 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccn2)cc1 1705911873 SFJWAOOJHQXAEF-LJQANCHMSA-N 453.568 2.825 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1705913559 RHMKSWWLVZSQPJ-FQEVSTJZSA-N 484.626 2.780 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC=C(C(F)(F)F)CC1 1705937199 MFRFRWZHSFHKPL-UHFFFAOYSA-N 461.535 2.933 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1705937542 XCNYJQDMYXTCEV-LJQANCHMSA-N 452.527 2.688 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705938761 ISCQFCQPKXGLNY-IAGOWNOFSA-N 499.014 2.939 30 10 JFEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1707811575 DCWGNQQKILYEKE-DEOSSOPVSA-N 464.549 2.768 30 10 JFEE CCn1cc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCN(C)C(C)C)CCO2)cn1 1710176508 BFDACRHWJNGWBC-HSZRJFAPSA-N 478.601 2.863 30 10 JFEE CN(C)C(=O)CCCn1c(-c2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1710976686 CUMIFTDRLOCLNN-UHFFFAOYSA-N 458.570 2.797 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1722289677 HDLLNCYRLLJKJE-ONSGGECDSA-N 473.568 2.875 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722330409 SVPAYFCAAIYTSG-REWPJTCUSA-N 494.640 2.755 30 10 JFEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722346713 VYGOPPSFIXRXMX-HOJAQTOUSA-N 482.541 2.947 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722362982 XUTCDTWGLHFLDS-HSZRJFAPSA-N 492.649 2.857 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cnnn1 1722418455 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JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1740715136 SNRVWRFFVLWHOM-SFHVURJKSA-N 453.568 2.721 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740749891 GWWCEYZOWXAQGG-IAGOWNOFSA-N 451.369 2.757 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1740758169 ZNFGISBFIPQQIG-JTSKRJEESA-N 490.004 2.883 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1740964376 OBSGJXGMYJMRAM-UHFFFAOYSA-N 469.977 2.930 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740995683 URZRALBQPGYKIR-GOSISDBHSA-N 456.616 2.825 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCc2ccccc2C1 1741123429 BOJZRZMVZVUSOW-IBGZPJMESA-N 458.570 2.970 30 10 JFEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1)C1CC1 1748369589 BNBGZXBTQGUPIN-XMMPIXPASA-N 452.559 2.649 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1748648068 XNLGAGFGKMYUID-IBVKSMDESA-N 467.614 2.645 30 10 JFEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1748759799 PINDMENIDGKKSX-OAQYLSRUSA-N 471.627 2.892 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748809599 OISBGJZXWHLEIY-RJGXRXQPSA-N 481.622 2.895 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1748819622 QIMFGEOIMCKANZ-FQEVSTJZSA-N 498.678 2.887 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1748821355 PYMOOZONLGSNLK-XMSQKQJNSA-N 462.641 2.607 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1748824758 SQGXBBXYWCQGHQ-IBGZPJMESA-N 485.997 2.889 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1749010229 IUQLJGUFTMFPEO-DEOSSOPVSA-N 473.625 2.903 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749106992 MUCVRRXJJDXNRP-OAHLLOKOSA-N 451.394 2.744 30 10 JFEE CO[C@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1749223170 CANMKMIGNDUQLI-CTNGQTDRSA-N 452.559 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478.420 2.616 30 10 JFEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)c1c[nH][nH]c1=NC(=O)OC(C)(C)C 2283945239 YINNNIQQTMVGBL-GFCCVEGCSA-N 477.396 2.768 30 10 JFEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283945583 CPFUPESYMNDXCL-YJBOKZPZSA-N 464.368 2.634 30 10 JFEE CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)C1 2283979903 UEIZPIMUUSLFKV-UHFFFAOYSA-N 458.364 2.511 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2283991779 UOISCOIFRBPRIE-YOEHRIQHSA-N 464.343 2.993 30 10 JFEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 2284033313 ITPZVEMSYBLNMW-UHFFFAOYSA-N 480.436 2.672 30 10 JFEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1 2284034307 DGQVJPRFJYEJJH-SUMWQHHRSA-N 481.424 2.501 30 10 JFEE CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2F)C1 2284046853 AZPPCMHKBFSGQH-UHFFFAOYSA-N 468.306 2.838 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284049351 QPRFZEZJQYPGLX-FXUDXRNXSA-N 477.436 2.998 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(C)(C)C 2284063485 RDRBOILODXTRFF-SJORKVTESA-N 482.452 2.964 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(COc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284384377 FPUPLYQLVJWKJW-NPMXOYFQSA-N 464.343 2.782 30 10 JFEE Cc1ccnc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288265673 ZBHXFWRMJSFMOO-VOIUYBSRSA-N 457.380 2.676 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288266442 CZYSRXGCNCZHTQ-IVZQSRNASA-N 498.476 2.891 30 10 JFEE COc1cccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c1 2296562005 SAPVZRLGBCTWHH-QFIPXVFZSA-N 452.507 2.840 30 10 JFEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN([C@@H]3CCS(=O)(=O)C3)C4)C2=O)c(OC)c1 2296612512 YKOXDPSQBPHMAC-QGZVFWFLSA-N 471.531 2.967 30 10 JFEE C[C@H](Oc1ccccc1C=C1SC(=Nc2cc(C(=O)O)cc(C(=O)O)c2)NC1=O)C(=O)O 2314926632 OAZVSGIXNTVNQE-JTQLQIEISA-N 456.432 2.827 30 10 JFEE C[C@H](C[S@@](C)(=O)=NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2315640195 AEPICNPWWMQKSO-MDQXEJNYSA-N 473.426 2.594 30 10 JFEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NN=c1nnc(-c2ccc(OC)cc2)c(O)[nH]1 2323289012 HNNROYWEPYCPIL-UHFFFAOYSA-N 454.443 2.826 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(C(=O)O)cc1 2330795042 SVESXDLMZYVLOE-UHFFFAOYSA-N 480.550 2.842 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2334263544 QEXYBFTZGYXAGI-FQLMCAECSA-N 463.409 2.864 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2337343759 VNVZEZLISKYUDQ-OAHLLOKOSA-N 463.409 2.914 30 10 JFEE COc1[nH]c(=N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339788155 LFVJNIMYADTBFJ-OAHLLOKOSA-N 465.425 2.576 30 10 JFEE Cc1scc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1B1OC(C)(C)C(C)(C)O1 2343506741 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C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1286296021 LVOLLBJWCPTEGL-FXAWDEMLSA-N 469.590 2.554 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1286473225 IZOUSKCFNGEAIX-PMACEKPBSA-N 453.587 2.923 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1N1CCOCC1 1286514337 DXPXFMXJGRPALY-RUZDIDTESA-N 450.587 2.602 30 10 JFEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1286540815 DWCFFSNKCWUNNX-MRXNPFEDSA-N 488.452 2.702 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1286568864 YTUZNAGSSYZDBY-REWPJTCUSA-N 489.642 2.537 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286655580 NWSHYDXFOOBQMG-HXUWFJFHSA-N 454.955 2.690 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 1286678298 UXLCPUZHHNZTGV-CTNGQTDRSA-N 465.602 2.770 30 10 JFEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286688733 DKOHCLBMANIFSC-UHFFFAOYSA-N 456.566 2.939 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cn(C2COC2)nn1 1286765484 QMFZYAGSSSACPP-UHFFFAOYSA-N 492.353 2.697 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1286799197 SWDWSGQFXPVPNE-BAGYTPMASA-N 483.613 2.761 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286815802 AIMUOJNUKUOZKO-KRWDZBQOSA-N 477.606 2.816 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)CC1 1288248667 COFBSWPKUCTPHM-JOCHJYFZSA-N 492.672 2.728 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CCO1 1288352834 GAZNVJXJPJQMED-URXFXBBRSA-N 482.629 2.948 30 10 JFEE CC[C@@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1293376002 BSPHRDWJDGTIRS-FGZHOGPDSA-N 479.629 2.956 30 10 JFEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N[C@H](C#N)CO)c1 1297880829 VOOUDYFSTITLSH-MRXNPFEDSA-N 453.442 2.701 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)c1 1300331147 GKYAWIZHCDSJID-SANMLTNESA-N 488.548 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30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCC[C@@H]1C 1301362230 BVVUMNXJQNWJDP-FVJLSDCUSA-N 450.630 2.985 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1301518219 HDBRFAQVXQCZGH-VGSWGCGISA-N 458.588 2.631 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@]2(CCO[C@@H]2C)O1 1305204815 BWNRQAKGEAKAIE-LJKQEARRSA-N 496.612 2.664 30 10 JFEE COC(=O)c1cc(C#N)c(=O)n(C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1 1307284433 GVGRAUBOLMXSAX-NRFANRHFSA-N 451.504 2.535 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)C[C@H]1C 1316138261 CSCWZXSQRADFOM-HXUWFJFHSA-N 468.602 2.702 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1358934392 ZVFXWDJHQSOYQV-UHFFFAOYSA-N 476.606 2.954 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358938267 VPLJTABUUVLAHN-GOSISDBHSA-N 493.999 2.599 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358965310 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466.508 2.541 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CCN(C)C2)C1 1359316672 TYNGTHPANYBEOC-PGRDOPGGSA-N 476.419 2.864 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1359342679 CNMXJYSCWQOGNO-HXUWFJFHSA-N 491.683 2.992 30 10 JFEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 1359364864 GHQIWJPFGXGZPN-UHFFFAOYSA-N 479.629 2.622 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1507532448 IAYHQOLBRGADEP-INIZCTEOSA-N 473.537 2.593 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507557339 PTYNQLRXIQTTBA-SJORKVTESA-N 463.608 2.582 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507628475 HQKOZJPUILRBMO-WOJBJXKFSA-N 455.584 2.505 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(-c2ccccc2)n1 1507660335 RBYXYHWPXDYFII-SFHVURJKSA-N 482.635 2.717 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)C(=O)OC(C)(C)C 1507707889 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C[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1512537628 GFZSINMHIAJESV-UNMCSNQZSA-N 482.629 2.948 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539097516 PKHUKTRDRZPROV-OAQYLSRUSA-N 458.360 2.989 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN(C)C(=O)OC(C)(C)C 1539237757 KKTUYROJFPNLDE-XMMPIXPASA-N 459.591 2.649 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2OCC[C@H]2C)CC1 1539468724 HUUMMPYHZNMJNE-KGVIQGDOSA-N 469.561 2.948 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1539655137 ISMBRTXUPUXYGF-UHFFFAOYSA-N 465.645 2.735 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2cscn2)CC1 1539688746 MPIGLGIGXQDKOL-UHFFFAOYSA-N 458.613 2.703 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(C)S(=O)(=O)CC)CC1 1539847423 FIGXOSDEWJQCEN-FQEVSTJZSA-N 461.588 2.619 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539896726 QUUSEBZRJVRPPY-WCWDXBQESA-N 478.553 2.795 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1539903361 XRKMLYCPVBHZMU-INIZCTEOSA-N 452.519 2.797 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539947998 RNOVNIYQDXYNLR-UHFFFAOYSA-N 454.579 2.912 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1540037013 ZIABZTXHWPQWFR-VXKWHMMOSA-N 474.627 2.913 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1)C1CC1 1540107790 CXWPZLRVJNKACQ-FQEVSTJZSA-N 477.656 2.730 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1540858510 ZTBBNPSTOUKLDD-HKUYNNGSSA-N 457.579 2.575 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C)[C@H](C)C2)cc1 1540877975 KLVGRVSUOGMHOV-JQVVWYNYSA-N 489.642 2.706 30 10 JFEE C#Cc1cccc(NC(=O)CNC(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)c1 1543315332 WHMRQFHPCMLNTR-UHFFFAOYSA-N 455.555 2.655 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3[C@H](C)OC(C)(C)N3C(=O)OC(C)(C)C)cc2C1=O 1544413922 LQAJTQQFSFRKSW-KBXCAEBGSA-N 457.527 2.959 30 10 JFEE CCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)N(C)C 1548379136 CUQJHCHSGXQYEU-LJQANCHMSA-N 466.504 2.747 30 10 JFEE CN(C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)C1)S(C)(=O)=O 1554230598 COAGXEPMYVKFOV-GOSISDBHSA-N 496.584 2.882 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCC2)cc(OC)c1OC 1554746031 FDPFMYQUJXGELO-IBGZPJMESA-N 470.574 2.574 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@H]2CCCO2)cc1 1555990651 FSSPWMWECGGLJC-LJQANCHMSA-N 492.502 2.803 30 10 JFEE C=C(C)CN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1562106660 CICCCVLYCFUTTD-ROUUACIJSA-N 450.605 2.647 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)c1 1566287420 DGJVKTVUSIYSHY-UHFFFAOYSA-N 459.568 2.885 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H](C)CN2CCN(CC)CC2)c1 1587692789 LRKBMACFXRURLZ-OAQYLSRUSA-N 477.657 2.875 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588053998 JPSTXPYWSMZWDP-NHCUHLMSSA-N 478.659 2.786 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1588069600 QZWMGXKFHGICMG-OAQYLSRUSA-N 467.595 2.501 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1589287899 FMBDEFBGDGJTCM-UHFFFAOYSA-N 451.325 2.912 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(CC)s1 1589495529 RQYLHTCEBHXAQL-VKJFTORMSA-N 468.649 2.525 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589515479 OACKFXQMSROTLQ-MMOPVJDHSA-N 476.599 2.567 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1589543960 DLORSNNRMMFYBZ-SIKLNZKXSA-N 459.616 2.641 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1593736293 ZPFKNFWLCKIMPJ-SANMLTNESA-N 493.612 2.791 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1593806511 CCXOUHBTUJDVTB-KBPBESRZSA-N 460.387 2.952 30 10 JFEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594687320 MKVBSJDKOHRARH-QGZVFWFLSA-N 490.406 2.779 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1594733234 PIQIMHVPDYKSLU-CEXWTWQISA-N 451.637 2.668 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1595075506 GVPGAUGQMGVLJR-HXUWFJFHSA-N 483.594 2.833 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1595613706 HAMYUQQDKHAZGV-IFMALSPDSA-N 489.642 2.898 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COCC)C1 1595723030 QDPZKZPYZINLGE-LEWJYISDSA-N 460.600 2.546 30 10 JFEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595871719 XEDSOYCAFDLBTP-UHFFFAOYSA-N 456.616 2.643 30 10 JFEE N#Cc1cccc([C@H]2CN(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)CCO2)c1 1598447830 CQYUWQDRHBMTDF-HSZRJFAPSA-N 453.564 2.875 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCN(c2ccccc2)CC1 1608473252 CRCWLYNMEDGFDI-AREMUKBSSA-N 478.645 2.759 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1613429176 FWCXCPDGKBEFAJ-SFHVURJKSA-N 461.574 2.630 30 10 JFEE CCc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)COC)CC2)n1 1614055481 AGXWPPYDAYHQBE-MSOLQXFVSA-N 464.574 2.928 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N[C@@H](C)CC)C1 1614908796 HWQRGBCPRBQAEF-RXVVDRJESA-N 465.602 2.864 30 10 JFEE CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1617319491 GLNCDKMNPNKHIH-QHCPKHFHSA-N 494.662 2.957 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(C)CCCO2)c1 1617705695 DJMVKFBTCIHEHI-XZOQPEGZSA-N 472.615 2.895 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)c1 1621094282 VRWJRQUTSMPBJT-VQIMIIECSA-N 451.589 2.916 30 10 JFEE N#Cc1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1621596738 FHBDJOJIAXYETJ-UHFFFAOYSA-N 459.524 2.546 30 10 JFEE CN(CCc1ccc(Br)cc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1627360386 GDFGHKFWHPLCEG-UHFFFAOYSA-N 450.358 2.579 30 10 JFEE C#CCN(C(=O)NCC(=O)Nc1ccc(F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1629367137 DYXDPMGGBJRVLM-UHFFFAOYSA-N 450.486 2.948 30 10 JFEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC3(CC2)C[C@H](O)CCO3)cc1 1648411786 AULGGQMDWBFHRA-HXUWFJFHSA-N 452.555 2.919 30 10 JFEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2c(cccc2S(N)(=O)=O)C1 1655412220 AVPPBBJZMNRBQQ-AWEZNQCLSA-N 458.609 2.921 30 10 JFEE COc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(F)cc1C#N 1673295797 FMBWMHSJMMHLFM-UHFFFAOYSA-N 458.924 2.959 30 10 JFEE C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 1675591843 GEOGZDKMLLCKCC-IERDGZPVSA-N 457.527 2.971 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCS(=O)(=O)C1 1689863579 XAOYGGZVKDZJFD-HUUCEWRRSA-N 467.389 2.512 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CC)c1 1689868626 MMUODBOKLGJYMX-WNCULLNHSA-N 494.640 2.859 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(OC)CCCCC2)c1 1689870155 DDYNTRHJDNKGSM-HXUWFJFHSA-N 464.570 2.635 30 10 JFEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1689888692 PCZWBTRJAABPLQ-OOMBGRCJSA-N 470.662 2.793 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1689994510 ZQGUWZPJOONAIA-SFTDATJTSA-N 490.699 2.525 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1689996517 ITHCLRBXUPMSAU-GOSISDBHSA-N 486.619 2.797 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)c(F)c1 1690103703 GTVFKIQBINBOAM-FQEVSTJZSA-N 491.539 2.999 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2sc(C)nc2C)CC1 1690130287 DBMNVAXVDRTJQR-UHFFFAOYSA-N 450.612 2.949 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnc(C)s2)CC1 1690139332 IIUFXHTUBSJKHI-UHFFFAOYSA-N 450.568 2.733 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cnn(CC(C)C)c2C)CC1 1690146199 IAZKIENHCMOLEA-JOCHJYFZSA-N 467.618 2.695 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1690146608 SALDCGLNIBVDFG-BHDDXSALSA-N 471.646 2.979 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](OC)C(C)C)CC1 1690152374 IVGJSLDZKQZXNH-NRFANRHFSA-N 457.550 2.633 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)[C@@H]1CC 1690161335 AZMRQZVUANKSTI-LBPRGKRZSA-N 454.419 2.850 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1690266925 NPRYVTISPMROHT-QGZVFWFLSA-N 460.583 2.658 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690338578 BVXRFEZQYUMTDS-OAHLLOKOSA-N 479.766 2.933 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690421214 YYNWDOMIHUWDOI-KRWDZBQOSA-N 470.574 2.787 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCCCC2)CC1 1690672004 FSONBAKMJRAYCZ-UHFFFAOYSA-N 458.557 2.904 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](OCC=C)C2)cc1 1690679887 BXARAZXPXNSQQF-CTNGQTDRSA-N 458.584 2.575 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1690685139 WIEFMFPTUGGPEE-YADARESESA-N 456.543 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC1COC(C)(C)OC1 1690725604 VZESRTWKMFRVQD-UHFFFAOYSA-N 484.569 2.583 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1690733277 AFLJZPWEFHZJBS-HZPDHXFCSA-N 470.690 2.956 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1705476701 DHHDLQZAFWSRGR-HEHGZKQESA-N 461.485 2.967 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1705514842 KDYONJFVBOWCNV-HXUWFJFHSA-N 477.613 2.635 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC(=O)NC)CC1 1705523008 IRMZXCZTQLVQCB-UHFFFAOYSA-N 456.978 2.627 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705569174 DHZCPNONZXUXNO-LADGPHEKSA-N 483.682 2.812 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1705634467 XGUMVVRHCLZDQW-HXUWFJFHSA-N 457.022 2.855 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705663468 ITOLEWNEKAONMF-OFNKIYASSA-N 469.655 2.595 30 10 JFEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1705834895 VHPHENSACBFXKV-OAHLLOKOSA-N 454.980 2.633 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)nc1 1705863386 QDHKABPPJOUJFN-UHFFFAOYSA-N 456.554 2.875 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OCC=C)C1 1705895452 HMCWLWQBCHVIDG-OAHLLOKOSA-N 464.339 2.930 30 10 JFEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCCCC1 1706818936 BDTSIEYHARQKQN-MOPGFXCFSA-N 458.632 2.808 30 10 JFEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1710978960 CDJWHKPOPVCRPG-JOCHJYFZSA-N 466.586 2.993 30 10 JFEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ncccc1F 1712007210 FRBQCYQYOAGPLP-JOCHJYFZSA-N 456.453 2.921 30 10 JFEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1722315816 STKYSMKLJZIVHB-JOCHJYFZSA-N 466.586 2.767 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722365914 PWWZNWQFLWLEPP-GOTSBHOMSA-N 499.681 2.558 30 10 JFEE 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C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722609193 ATKOSZDJROOOCM-KRWDZBQOSA-N 475.018 2.727 30 10 JFEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1722651923 WJBPSTDEPKTCPN-UHFFFAOYSA-N 469.615 2.593 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1722677109 UIMMSSGWIYDPHD-VQTJNVASSA-N 495.671 2.725 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1722698180 VQPNTBSGIVTISV-GOSISDBHSA-N 450.543 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCOC(C)(C)C 1722723898 ICVMTPQVPHRTAO-UHFFFAOYSA-N 488.452 2.898 30 10 JFEE CCOc1cc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OC(F)F 1728841432 GSRFORLKRFDKAX-UHFFFAOYSA-N 486.527 2.875 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)C1 1729636914 DBHDCKCFBXYNSY-DHIUTWEWSA-N 450.568 2.748 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1729728319 GNTIMXJZEWJAAQ-NQIIRXRSSA-N 451.575 2.873 30 10 JFEE 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CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282505630 GYLFZNIKTQSJFV-LJQANCHMSA-N 491.488 2.869 30 10 JFEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2282537377 PJVZPULGWSGGPX-IRXDYDNUSA-N 459.396 2.792 30 10 JFEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282555729 XSNYFQHEQAJTRW-QZTJIDSGSA-N 452.408 2.606 30 10 JFEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282591953 WXHPIDMIGHZCIM-KRWDZBQOSA-N 480.436 2.881 30 10 JFEE Cc1sc(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2282638286 KSTUUEBQSXOZEX-UHFFFAOYSA-N 480.436 2.812 30 10 JFEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2282675829 CDPZIYNYGKBUKN-QGZVFWFLSA-N 460.380 2.660 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282686111 OFKDBSVAAIXFAB-SJORKVTESA-N 457.380 2.710 30 10 JFEE Cc1cc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282695215 ZMQIVNPOYCAZEO-YOEHRIQHSA-N 454.298 2.823 30 10 JFEE C[C@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CN1C(=O)OC(C)(C)C 2282835567 WRPRTBBXVKBJLG-HOCLYGCPSA-N 484.399 2.801 30 10 JFEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2282874046 VETOFULXOHMRQB-UHFFFAOYSA-N 498.476 2.962 30 10 JFEE Cc1sc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2283968331 DHSMZPMOEWYYPO-JKSUJKDBSA-N 480.436 2.651 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](CO)C1 2284056400 IOZSTZOCOQJQDZ-GUJKFWMDSA-N 480.436 2.638 30 10 JFEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]21 2284066046 OXTRAVPYLDWSNN-KSZLIROESA-N 478.420 2.640 30 10 JFEE CC(C)[C@@]1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OC(C)(C)C)C1 2289944828 GHNGPVGLBPGSRO-HSZRJFAPSA-N 462.400 2.864 30 10 JFEE COc1cccc2cc(C(O)=C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccncc3)oc12 2296125884 SJDFVGSLMBJVTD-JOCHJYFZSA-N 477.517 2.980 30 10 JFEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Cl)c1 2297741816 UGEMQLFVTWLEIH-IBGZPJMESA-N 478.954 2.658 30 10 JFEE CCn1c(N2CCC[C@H](C)C2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461012 GPWFAEXUXSOOPM-LBPRGKRZSA-N 460.581 2.570 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(-n2ccnc2CCN2C(=O)c3ccccc3C2=O)n1 2315416991 OOVHWFZMFURXSO-UHFFFAOYSA-N 458.327 2.714 30 10 JFEE N#C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 2316864312 BSSKRXKAWYQIJY-JOCHJYFZSA-N 494.617 2.883 30 10 JFEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2317604449 AQUUZOHBHBCCQJ-AWEZNQCLSA-N 454.398 2.625 30 10 JFEE COc1cccc(C(=O)C=CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 2320933827 ZIYOXUCPGINGNY-UHFFFAOYSA-N 464.927 2.747 30 10 JFEE COc1cc(C=NN(CC(=O)O)CC(=O)O)cc(Br)c1OCc1ccccc1 2322985607 QPKDOIOFGBNTMH-UHFFFAOYSA-N 451.273 2.842 30 10 JFEE COc1ccc(CC(=O)N[C@H]2CCNC[C@H]2C(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1OC 2328219195 SNRVIJASMGZRIM-UXHICEINSA-N 453.495 2.531 30 10 JFEE CCCOc1ccc(C=Nn2c(SCC(=O)OC)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329035042 CHRKMQBONJFJSK-QGZVFWFLSA-N 459.572 2.939 30 10 JFEE COc1cc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(Cl)c1O 2329045418 LTFIOEWEENGQCY-CQSZACIVSA-N 467.979 2.727 30 10 JFEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1 2337042645 VOFHRUICKJRFQW-RHSMWYFYSA-N 450.341 2.523 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1)[C@@H](O)C(F)(F)F 2359034433 BOHBMJKVZGRIDZ-AVUKIGBWSA-N 478.317 2.888 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CO[C@@H]1C2 2359200525 XBJNLEBEWWQHCP-GGUMNFRJSA-N 458.364 2.997 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3O)[C@H]1C2 2359286115 JLVVXOYIQMXFTA-ZTFGCOKTSA-N 458.364 2.819 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](N(C)C(=O)OC(C)(C)C)CC1 2362337331 KRDPWGLXZHMXQF-IYBDPMFKSA-N 462.400 2.627 30 10 JFEE Cc1nc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C23CCC3)ncc1B1OC(C)(C)C(C)(C)O1 2364794274 BOLFIUVAEGUMDN-HNNXBMFYSA-N 458.368 2.812 30 10 JFEE O=[N+]([O-])c1ccc(/C=N/Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCOCC3)n2)cc1 8872673 HWGAMDYVAQNIHJ-FYJGNVAPSA-N 465.430 2.714 30 10 JFEE Cc1c(C(=O)OCCc2ccccc2)sc2ncn([C@@H](C)C(=O)Nc3c(C#N)cnn3C)c(=O)c12 16893246 GOTWWRBZAAAYEG-HNNXBMFYSA-N 490.545 2.971 30 10 JFEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 20292060 ZTCFRSKLQGBWHH-AWQFTUOYSA-N 469.512 2.687 30 10 JFEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)Nc1ccc2c(c1)C(=O)NC2=O 21077651 NLTBMMAWIUQSLA-ODCIPOBUSA-N 455.887 2.519 30 10 JFEE C=CCNC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CCc2ccccc2)CC1 36211195 XEGJDGNYKUKYPI-VWLOTQADSA-N 463.578 2.967 30 10 JFEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(N(C)C)cc3)n2)cc(OC)c1 59005027 KBTCGJURESAAPB-ZMOGYAJESA-N 469.571 2.742 30 10 JFEE COc1ccc(CNc2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCCO4)[C@@H](C#N)C(=O)N3)cc1 72461127 GUIAXYPWKIQNFV-XLIONFOSSA-N 473.489 2.776 30 10 JFEE COc1ccc([C@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC 97553127 GSNPMIAHYHIRPS-WEHRJKGCSA-N 482.533 2.997 30 10 JFEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccncc2)c1C 103110974 LSMHULQPXXIYNQ-NNWMPZTLSA-N 477.521 2.912 30 10 JFEE CCN/C(=N\CCc1ccc(OC)cc1)S[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 105616031 BWHVIGZSKJEESG-LJQANCHMSA-N 455.536 2.967 30 10 JFEE Cc1noc(NS(=O)(=O)c2ccc(N/N=C(/C#N)C(=O)Nc3ccccc3C(=O)O)cc2)c1C 105968668 BMWKICYJGIAIIC-BWAHOGKJSA-N 482.478 2.721 30 10 JFEE CCC(=O)N[C@@H](CCSC)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 520500787 DNYVQHXDKFCGBU-ROUUACIJSA-N 467.433 2.806 30 10 JFEE COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(Cc3ccccc3)c2=O)cc1 523864231 NHCKDYIEWKJPRV-UHFFFAOYSA-N 460.555 2.863 30 10 JFEE C=C(C)c1cccc(C(C)(C)NC(=O)[C@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 585828505 VQKBPKXIJCCHDU-XZOQPEGZSA-N 462.594 2.738 30 10 JFEE CCCOc1ccccc1/C=C/C(=O)[C@@H]1CNCC[C@H]1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 585831758 YGPHHGIDISKDCX-IBYPPEKWSA-N 489.572 2.837 30 10 JFEE Cc1c(NC(=O)[C@@H](C)SCC(=O)NCc2ccc(C#N)cc2F)c(=O)n(-c2ccccc2)n1C 609229726 MHMPHNXHNRNAFE-MRXNPFEDSA-N 481.553 2.872 30 10 JFEE C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668487 KBAMXRYRMZNQES-WMZHIEFXSA-N 497.624 2.804 30 10 JFEE C#CCN(CC(=O)O)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccnn1C 757393879 OKKRSRNBKQAUIR-DEOSSOPVSA-N 472.501 2.546 30 10 JFEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)Nc3ccccc3C(=O)OC)n[nH]2)c1C 1083852553 PVAOTSURXGDIHQ-UHFFFAOYSA-N 468.543 2.767 30 10 JFEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)c1 1084134044 FAENQOJWMPICBP-UHFFFAOYSA-N 453.528 2.770 30 10 JFEE COc1cc(Br)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1OC 1138107905 FSWVDFGEJFJLKX-SMDDNHRTSA-N 454.321 2.955 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2nnc(C)s2)c1 1286309058 GUKOWTCCXWFVDA-UHFFFAOYSA-N 458.551 2.913 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286391315 CMXYUYGSQURXLS-WIYYLYMNSA-N 484.544 2.553 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286398235 WQAOIKPVUSXSGY-JOCHJYFZSA-N 499.681 2.975 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(OC)c1OC 1286430244 GGTNEHAUPGMBQD-UHFFFAOYSA-N 485.592 2.981 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(OC)c1 1286460358 XCWOGJUGOOZLBX-UHFFFAOYSA-N 482.610 2.690 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1286495663 BPGOXZQOUBRYIF-ZWOKBUDYSA-N 477.656 2.851 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286507385 IEJUTSUTDPYIBQ-UHFFFAOYSA-N 452.609 2.654 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl)C1CC1 1286731805 FVQHZSJQNBIDCI-VLIAUNLRSA-N 453.996 2.604 30 10 JFEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Br)cn1)C1CC1 1286739112 PBOATOLSNRNJMF-YOEHRIQHSA-N 451.369 2.816 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1286745427 VUDTYNLKDHQGGT-RPBOFIJWSA-N 473.593 2.717 30 10 JFEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286773553 OHDUQNNHHQFDNP-MRXNPFEDSA-N 465.558 2.824 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286794118 XCNRFCRGEPMORA-ZHALLVOQSA-N 476.622 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286823700 XVRDRYPFOHOADV-LJQANCHMSA-N 460.600 2.888 30 10 JFEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C2CC2)CC1 1288724647 CCTZVIWCJKLZIH-KRWDZBQOSA-N 456.616 2.560 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1288772780 GBOPZERBCREOBC-UONOGXRCSA-N 474.509 2.616 30 10 JFEE CCCNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1294856221 GCOFBOOCJQPYCO-UHFFFAOYSA-N 451.619 2.977 30 10 JFEE COc1ccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1300132705 CERSADCAPMUQQM-QGZVFWFLSA-N 460.604 2.660 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300486827 BVEIMAQASUMXDG-HXUWFJFHSA-N 457.600 2.706 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1300499515 SZDBJYMANFYMMR-OAQYLSRUSA-N 482.585 2.532 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300505098 XQENBJVMERRFPQ-PMACEKPBSA-N 474.627 2.951 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(C)(C)O)CC1 1300723484 UOHYVUFUILDZKF-UHFFFAOYSA-N 462.554 2.727 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1300743030 FMAOJPLHIZFUEB-UHFFFAOYSA-N 458.584 2.954 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300770200 PFSCYZCTNAUPQJ-QFIPXVFZSA-N 496.637 2.607 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1300870537 UBUOVZPWCOHZAT-MDKPJZGXSA-N 485.585 2.667 30 10 JFEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN(CC)S(C)(=O)=O 1301293789 HZOQAEVSKSDFKY-UHFFFAOYSA-N 484.667 2.686 30 10 JFEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301467752 KJGVZKUBGDJUSE-OAQYLSRUSA-N 466.630 2.781 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301510599 YZKUDGRJDZINKX-QFIPXVFZSA-N 481.519 2.732 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301568405 GFDAJYKGTCJXLS-FUHWJXTLSA-N 498.447 2.795 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(=O)OC)C1 1301569603 ZZDRFIGUYUUBHF-OALUTQOASA-N 476.599 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301593622 RBVAFCKCTUOJKU-NRFANRHFSA-N 478.590 2.992 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1302274963 BJPSZUQCSFTJPX-UXHICEINSA-N 468.558 2.726 30 10 JFEE CS(=O)(=O)c1ccc(CCn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)cc1 1316335822 HVFBRZMLWFTQHP-UHFFFAOYSA-N 450.568 2.650 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN(c4ccccc4)C3)CC2)cc1 1353734185 CNRNOMFHZDUYLD-OAQYLSRUSA-N 452.580 2.744 30 10 JFEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1358914080 IDVZDWQPRJGHFG-UHFFFAOYSA-N 465.570 2.716 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1358959810 QIBXJMAHULARCR-HKUYNNGSSA-N 460.625 2.724 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358965565 XHZVOIUUXLOEKZ-FGZHOGPDSA-N 489.711 2.925 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(Cl)nc2)CC1 1359047974 ZZPYGHREIWUUJE-UHFFFAOYSA-N 494.983 2.928 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359099939 UZVOTXLVKLABAJ-RLLQIKCJSA-N 452.621 2.904 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC(F)(F)F)CC1 1359120715 VKYAZNSUBXWUDO-UHFFFAOYSA-N 471.553 2.889 30 10 JFEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359133475 SJLMNSOJLKUZLN-RXVVDRJESA-N 455.559 2.878 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1359173995 UKSOBSMTKMYUCZ-WIYYLYMNSA-N 460.648 2.902 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359203444 PFOZBRZRKYGHDD-FHWLQOOXSA-N 474.606 2.658 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359209470 ORDJMEZWISTIIR-KRWDZBQOSA-N 463.380 2.830 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1359260214 XARQSTVEGNJRGX-QZTJIDSGSA-N 487.605 2.679 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359294295 PQYKHLAPXHHYMD-QGZVFWFLSA-N 497.625 2.604 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(S(C)(=O)=O)CCC2)C1 1359313982 UPJKHVSLXOIBRQ-INIZCTEOSA-N 498.447 2.795 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCCC(N)=O)ccc1Cl 1444418733 SUGKNAKNKAVWFN-UHFFFAOYSA-N 456.351 2.980 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)c1 1453973113 ONOWFGIFSFHRRR-UHFFFAOYSA-N 456.568 2.734 30 10 JFEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)[C@H](C)CC)CC1 1502460686 CCDYQMAUVJGHNS-WIYYLYMNSA-N 469.590 2.641 30 10 JFEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CCOC1 1502624604 GHGHIJRDEIWOJZ-GSHUGGBRSA-N 450.584 2.829 30 10 JFEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)OC 1504593339 CHGNONBNYFEXSF-FPOVZHCZSA-N 484.601 2.521 30 10 JFEE COCC1(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 1504649002 FCZDKLTXHFHQAR-UHFFFAOYSA-N 453.591 2.513 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)c1occc1C 1507531974 ILNKEOXWORVFAS-LJQANCHMSA-N 476.585 2.632 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C(C)C)N1CCOCC1 1507641484 ACBSJUZLFXZIKZ-IFMALSPDSA-N 453.562 2.987 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507654680 PDCNYENVRQNJIG-IZHYLOQSSA-N 486.576 2.754 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC[C@H]1CC 1507680845 OGHWJLWDHMOVQJ-OAQYLSRUSA-N 472.659 2.919 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1507733376 WZLNUCGHUKFWKS-BHIFYINESA-N 499.704 2.924 30 10 JFEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507783276 DNQPGPNIEKYJIG-HNNXBMFYSA-N 460.442 2.952 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCNS(C)(=O)=O)CC1 1507879904 HXYPSXTVUGULOE-UHFFFAOYSA-N 454.394 2.803 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1507964601 HUBWQOVJZGLEOM-HWPVKAJDSA-N 491.633 2.776 30 10 JFEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507964614 ICYPNQHXDITAHM-UHFFFAOYSA-N 452.584 2.881 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1507998092 KIHJHFZRQISJPN-UHFFFAOYSA-N 462.616 2.717 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCOCC1 1508011168 NTUDRSHSKUYAIB-UHFFFAOYSA-N 469.615 2.676 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1508048534 SZYNGBFDBIHPAT-QGZVFWFLSA-N 458.544 2.619 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1508086543 ZXEMIHBAAPVHJW-KRWDZBQOSA-N 460.604 2.584 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508159475 VDWKVBNIVOSZCV-KRWDZBQOSA-N 466.629 2.895 30 10 JFEE Cc1csc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)n1 1511439854 CHEFGCGCCKGJPW-INIZCTEOSA-N 479.614 2.578 30 10 JFEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1513902178 FNTQRWBJPWCPLO-QFIPXVFZSA-N 451.619 2.786 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N(C)C)CCC1 1539291480 RAXXBTCDLPGBCR-UHFFFAOYSA-N 452.990 2.809 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1539385214 XEARDDRJXHZTPB-PGRDOPGGSA-N 488.633 2.684 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1539505436 BXNMFBPWMUVEPE-MJGOQNOKSA-N 458.540 2.833 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1539525137 USLJCNGTFMLRJY-GOSISDBHSA-N 492.671 2.730 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1539546757 LLPXWHLPZPTYBF-OAQYLSRUSA-N 480.059 2.969 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1539613081 UIFZDPBGCKROFK-UZKOGDIHSA-N 469.634 2.980 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1539620689 MSYVLFLFQJLYAE-SJLPKXTDSA-N 481.416 2.924 30 10 JFEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539715932 KYUPTGBATBQUEB-XMMPIXPASA-N 468.646 2.973 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539722935 LFYISDYBZRXAJA-HTAPYJJXSA-N 465.620 2.941 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539772078 DIMTZBAGRQCEDY-UHFFFAOYSA-N 495.049 2.850 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1539917827 XPDIRAZHZKMNTM-IBGZPJMESA-N 488.658 2.903 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539966726 MLXOICSVLDFBGU-QZTJIDSGSA-N 483.635 2.566 30 10 JFEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540012931 ZRYWHKOWHYQBIV-UHFFFAOYSA-N 451.604 2.840 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC)C1CC1 1540108609 KJUYOUKOBRZGBG-MBSDFSHPSA-N 465.595 2.529 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540139835 GIJLNJRDDBVIAB-KRWDZBQOSA-N 458.613 2.876 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1540147312 KIKUKJNJUSSBOM-UXHICEINSA-N 453.591 2.759 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1540899439 OUZVZRGPLNCXER-UHFFFAOYSA-N 495.590 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540908943 SJRPPAXQWMOAFC-TVFCKZIOSA-N 467.636 2.884 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N(C)C 1541836218 BTVXKVPATCXBAT-SJORKVTESA-N 497.554 2.873 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1cccc(C(N)=O)c1 1545535431 HVZHHRWRVDVCQD-GOSISDBHSA-N 458.570 2.726 30 10 JFEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3[nH]c4ccccc4c3C#N)cc2)CC1 1546289678 QBKSKPDBIMDOJA-UHFFFAOYSA-N 459.550 2.555 30 10 JFEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@H](C)O1 1546769215 BIKLHPLCLYVNSO-HKUYNNGSSA-N 452.559 2.778 30 10 JFEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CN(C)C(C)C)CC2)CC1=O 1555574586 GMBCGPPTUPUCHE-HSZRJFAPSA-N 493.656 2.868 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)NCC3(c4ccccc4Cl)CCOCC3)CC2)c1C#N 1563939932 BAABCTHNBMJDOQ-UHFFFAOYSA-N 456.978 2.834 30 10 JFEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1587738333 BUUVNZSGAGWSHE-YJBOKZPZSA-N 460.464 2.880 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1588034198 BNURIQKUMKQTBZ-OALUTQOASA-N 498.584 2.525 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1588039753 DSSCIYHYXOIARR-UTKZUKDTSA-N 495.443 2.804 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588059113 JICGOGWLTMFVKH-UXHICEINSA-N 473.643 2.924 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588073568 AEJVRQFATJVZSD-OALUTQOASA-N 460.625 2.685 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(OC)CCC1 1588647448 VIAAOZALJHTNJS-LJQANCHMSA-N 477.606 2.632 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588768592 HUTITJBGLRHBDB-ZDUSSCGKSA-N 472.359 2.949 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(OC)nc2)CC1 1588891902 UZAMZCHWTQDXQY-GOSISDBHSA-N 492.555 2.975 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1589251358 NGGHTGOIJSWUQB-NFBKMPQASA-N 458.584 2.825 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1589548427 ZRTJQQCNRBIOLH-MMOPVJDHSA-N 450.580 2.859 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1593741267 LMZDDVHDPXCFBT-IFMALSPDSA-N 474.650 2.682 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1593741369 NELHCSUKBAOLEM-WMZOPIPTSA-N 487.992 2.725 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1593775726 DDKRBFYYMDEWRJ-MOPGFXCFSA-N 497.662 2.956 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1593872028 BGEVEYZUDNJIQG-UHFFFAOYSA-N 471.949 2.877 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1595239707 QQARXRBVQNAKCF-FCHUYYIVSA-N 450.587 2.723 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1595543926 BSWXXXPCSXLSSV-UXHICEINSA-N 488.633 2.558 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C 1595603223 ZVOOBUAESDTCSM-IRXDYDNUSA-N 462.595 2.656 30 10 JFEE C[C@H]1CCCN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1612775612 BXFVPIXJLDICRF-ICSRJNTNSA-N 462.664 2.821 30 10 JFEE C=CCN(CCOC)C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1626632287 WKPBIJBZLOAJEB-LJQANCHMSA-N 458.584 2.774 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)cc1 1631230989 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476.547 2.662 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2sc(C)nc2C)CC1 1760264567 TXQRTRFLYYYALP-UHFFFAOYSA-N 452.584 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CC)CCCC2)CC1 1760265072 MYHKJBNTEHEISL-UHFFFAOYSA-N 463.586 2.862 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1760269351 GCIHKIXYBIPSJF-QFIPXVFZSA-N 468.577 2.739 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(F)c(COC)c2)CC1 1760272085 YCHGSYMHZIVAFL-UHFFFAOYSA-N 476.556 2.564 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1760411561 BDSFCMQGRGEBOJ-INIZCTEOSA-N 488.452 2.702 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1760461296 NVTMAASRAYMZED-FQEVSTJZSA-N 478.645 2.713 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1 1760482250 UJDWCFDRVWFJMD-FQEVSTJZSA-N 461.570 2.839 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760507683 XZMRPUTYWRSUHG-UHFFFAOYSA-N 464.473 2.906 30 10 JFEE 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30 10 JFEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1O 1862632242 LWBMFOVARIUMSL-QVKFZJNVSA-N 483.473 2.895 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@H]2c2ccccc2C(=O)O)cc1 1862690931 FWEAXMFARHWBOQ-QFIPXVFZSA-N 478.501 2.984 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1O 1864063118 SHIYLONWVDFAGC-FQEVSTJZSA-N 462.506 2.851 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(CC)nn2CC(C)C 1864327543 WAPGIGIDSNVGDN-HXUWFJFHSA-N 454.571 2.860 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Sc3nnnn3-c3ccc(C(=O)OC)cc3)cc21 1865755306 QWQZSLSYVZBFAH-CQSZACIVSA-N 479.518 2.724 30 10 JFEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3cccc(C)c3)CC2=O)cc1 1870109107 JNYQBVOOFRCOSU-LJQANCHMSA-N 472.505 2.675 30 10 JFEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1OCC 1870140286 IULKVQZUUFBWRI-UHFFFAOYSA-N 468.901 2.958 30 10 JFEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3cc(OC)cc(OC)c3)cc2C1=O 1870143936 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N#C/C(C(=O)N1CCCC1)=c1/s/c(=C/c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1 33382898 HSPBEHBAMYGOAL-PLZCPHGYSA-N 467.497 2.626 30 10 JFEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 102515778 NKJJDZJRGGTHAS-UGUGFTGJSA-N 494.544 2.626 30 10 JFEE Cc1cc(C)c(C#N)c(SC2=C(N3CCCCC3)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)n1 526694398 IYVVKNFPRXKCFU-UHFFFAOYSA-N 497.602 2.581 30 10 JFEE C#CCN(C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@@H]1CCS(=O)(=O)C1 729334779 VCZHOZQUGYBBRH-OAHLLOKOSA-N 465.325 2.557 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 745058861 WZDGMZHJMXZJAT-JQCPSUHGSA-N 462.506 2.913 30 10 JFEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCC(=O)O 757209077 KFDWIFHUGFUEGM-JOCHJYFZSA-N 450.491 2.525 30 10 JFEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 811564641 FWKZHQNRUUMLGH-DVECYGJZSA-N 482.562 2.910 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nn(CN2CC[C@@H](C(=O)OC)C2)c1=S 917479833 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C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nccs2)CC1 1286712458 ZIHPVUHORLAWQM-QGZVFWFLSA-N 451.618 2.613 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286716136 GYEVKMXVBJVLOU-NJDAHSKKSA-N 475.634 2.617 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1286772377 CEOWIKHPJZAYRD-OAQYLSRUSA-N 457.575 2.540 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1286773710 QOMQCRUJVHDYBI-IPMKNSEASA-N 454.637 2.660 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(O)cc2C1 1286780632 XXGYVZCPABESBK-UHFFFAOYSA-N 457.332 2.606 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793421 DSBLQPSPEZGAOY-ZIFCJYIRSA-N 486.573 2.522 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)N2CCOCC2)C1 1286806718 ZWSCXYZNMLYZFZ-QGZVFWFLSA-N 479.423 2.928 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCSC1)S(C)(=O)=O 1286976741 GJXCSSQEEDNDLB-HYFFOGBASA-N 476.672 2.512 30 10 JFEE C[C@@H]1CN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CCCO1 1291287551 DNLNMYNIJPIKOU-VAMGGRTRSA-N 472.565 2.787 30 10 JFEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CC1 1299368057 GQRUDPUGOWCDGN-UHFFFAOYSA-N 450.465 2.700 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 1299401944 FRMQQNRSELYERI-NNMXDRDESA-N 453.543 2.789 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)c1ccc(C)s1 1300313310 FSGRUALYTWRNFE-CQSZACIVSA-N 479.578 2.953 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1300321372 LGUGFVMIDYJFPK-HYBUGGRVSA-N 461.614 2.603 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300422760 YUGGKTKTWAEFNS-OAQYLSRUSA-N 473.643 2.995 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1300489839 UAVNLORANBTQSM-SFHVURJKSA-N 458.584 2.779 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1300512546 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C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507824396 AKVAEHCRRTVPGE-KXBFYZLASA-N 456.522 2.900 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507898494 YIPYNYVSOXPEJG-QRWLVFNGSA-N 487.548 2.741 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](COC)OC)CC1 1507902968 QPTNEXWDDWGSPJ-MOPGFXCFSA-N 465.595 2.650 30 10 JFEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1)c1ccccc1 1507928602 KUNCTFKNFKXGKW-OAQYLSRUSA-N 450.587 2.819 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCC1)C1CC1 1507988714 PKGFRIHQHYCSRC-UHFFFAOYSA-N 458.632 2.835 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC(C)(C)C1 1508018150 OJAMJYVSWXPTNC-UHFFFAOYSA-N 473.647 2.527 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1508070820 JCGASFQISOFBFC-UHFFFAOYSA-N 482.629 2.822 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1509296735 DBMUCQKMCNUVDZ-BXKMTCNYSA-N 465.558 2.900 30 10 JFEE O=C(Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(O)(C(F)(F)F)CC1)NCC(F)F 1521308037 IAPVZHJBBPEUFF-UHFFFAOYSA-N 499.387 2.821 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)c1 1528405233 RZXWHBXNXNWOHQ-UHFFFAOYSA-N 457.571 2.943 30 10 JFEE C#CCN(C(=O)c1nnn(-c2cnn(C)c2)c1C)[C@@H]1CCOc2ccc(Br)cc21 1538197770 BCGXEOXUNPOBEL-QGZVFWFLSA-N 455.316 2.671 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(I)cc1 1538963850 URZQCJRGDZIKEP-ZDUSSCGKSA-N 451.312 2.527 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H](C)CN2CCOCC2)c1 1539043590 ROSWYRMIWAPEMH-FQEVSTJZSA-N 464.614 2.960 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539132753 BALJOQQDULVLQW-UHFFFAOYSA-N 498.609 2.527 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCOC[C@@H]1C 1539246538 SLXVEGYXTHBROF-KRWDZBQOSA-N 472.387 2.510 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1OC)N1CCCC1 1539330684 ADIGITOWEATCHD-HSZRJFAPSA-N 474.609 2.709 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCCn2ccnc2C)CC1 1539461705 IXRUPFIWPRCOSE-UHFFFAOYSA-N 451.550 2.737 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539474133 KGNHJKILDSEJTO-QYBDOPJKSA-N 483.613 2.725 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Cc2cccs2)CC1 1539476704 DDLPVRJFPBVEIZ-KRWDZBQOSA-N 451.600 2.585 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1539505478 KLMMEHVPSXKNPH-QGZVFWFLSA-N 467.599 2.895 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1539556690 GVYJNKFFENFMBW-MSHBGSJOSA-N 491.658 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1539633602 ZQXFMILOWICSBG-HKBOAZHASA-N 491.633 2.776 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1539670212 YYTNKPINXWQSQW-WOJBJXKFSA-N 478.638 2.710 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1539722505 OJUFQDGBIRXTQR-UHFFFAOYSA-N 478.479 2.907 30 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TZGXHHOPLSKYFT-FGZHOGPDSA-N 497.596 2.887 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588069371 MKTQIBVEJZQRRY-WPFOTENUSA-N 470.639 2.751 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1588638566 TYHYOFZCUOLSRD-UPVQGACJSA-N 466.630 2.816 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCn2cc(C)cn2)CC1 1588890836 GGOXLTQBZGSTPW-IBGZPJMESA-N 479.560 2.728 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1588975741 KVRFXZZWLFTJKY-HXUWFJFHSA-N 468.627 2.818 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1589135330 XBLKHKNYNRHPJQ-OAQYLSRUSA-N 459.591 2.966 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1589527989 CAVYTQSTQLFHKK-RYRKJORJSA-N 451.497 2.789 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1593711655 GFQHNAYSKVYPCT-RXVVDRJESA-N 456.547 2.603 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593914468 JYVQUECKGTZAGG-SFHVURJKSA-N 458.950 2.699 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1594169423 XPCUHVWRVCQQIG-UHFFFAOYSA-N 456.566 2.843 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(CO)c2)C1 1595744090 JUKIKSIEOBGWHB-IBGZPJMESA-N 453.568 2.592 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1595773089 PVVHWRPRZFSCOP-KRWDZBQOSA-N 460.560 2.598 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1606951516 FVQUHTSHPGFUDS-HXUWFJFHSA-N 469.615 2.864 30 10 JFEE Cc1nnsc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1611873678 HQDGHIBFQWHVEC-UHFFFAOYSA-N 466.571 2.544 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1C 1612106303 BBWJOEGPPBHOFI-GLYQVZKVSA-N 452.559 2.817 30 10 JFEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOC(C)(C)C2)C[C@@H](C)O1 1612989025 BYOYBGMHKKQZFE-SZPZYZBQSA-N 495.672 2.863 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(C(F)(F)F)n1 1614028484 FSTPIDPGPYLWAT-AWEZNQCLSA-N 457.464 2.679 30 10 JFEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1618302374 HDEJLPYICRYJLP-OAQYLSRUSA-N 465.627 2.950 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCSC1 1619899593 CFODYSLCRODJBW-HXUWFJFHSA-N 454.600 2.678 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCCCC2=O)cc1 1620351580 BNYHAZNNFOADDY-XMMPIXPASA-N 465.533 2.963 30 10 JFEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C(F)(F)F 1625658249 FGHCVDFYOKGWKQ-INIZCTEOSA-N 456.469 2.631 30 10 JFEE C#CCN(C(=O)NCc1ccc(N2CCNC2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1687432761 ZSYQJHQIFXBGPD-UHFFFAOYSA-N 455.559 2.761 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCCC1 1690095610 XCWIBMFVDLTAKM-QGZVFWFLSA-N 463.424 2.864 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1690097078 AMDOQJOXXOCRRE-HNNXBMFYSA-N 454.955 2.648 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)N2CCOCC2)CC1 1690111592 FVELYSAUSSUBDI-GGAORHGYSA-N 466.630 2.511 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCCCC2)CC1 1690134787 FZXHKIALTJMMRM-UHFFFAOYSA-N 454.644 2.820 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1690170380 HFPGBQLFPUBZNX-KBPBESRZSA-N 452.005 2.888 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1690204961 XFYCVJGHCLUPIB-WZOHSFFVSA-N 473.618 2.925 30 10 JFEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690291525 AIQRLCOBFBTEQD-RDPSFJRHSA-N 466.630 2.637 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690361074 GKCUGOLSAOVKSD-QGZVFWFLSA-N 455.943 2.532 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1690442502 UXDXGVQBHNSLFE-QUCCMNQESA-N 459.554 2.952 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1690568047 YVMCAWHKPQNODH-INIZCTEOSA-N 451.568 2.525 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(F)F)c2)C1 1690685760 CPSUDNNQQZSRFW-YJBOKZPZSA-N 469.558 2.830 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1690723510 UJEBVYQANJZKSZ-FQEVSTJZSA-N 496.637 2.973 30 10 JFEE CCCCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695237506 AHXGKDRHOYJUHA-JOCHJYFZSA-N 493.660 2.664 30 10 JFEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1)CC(F)(F)F 1696812200 AEXZEKIVCDHTQY-UHFFFAOYSA-N 490.534 2.649 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CCCO2)c1 1705503841 GHUWSKVPYSYKBQ-RUZDIDTESA-N 473.537 2.551 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1C 1705534147 AJCILVGNESPGCI-SFTDATJTSA-N 457.600 2.674 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1705611291 XFKIJKIJGJMCGP-HXUWFJFHSA-N 475.597 2.954 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(Sc2ccccc2)CC1 1705628880 ROMCCTCPTSOYNV-GOSISDBHSA-N 460.625 2.591 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705637037 HGTBHDULOOJMBY-FQEVSTJZSA-N 457.022 2.711 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1705642959 NOGDXDJYWXWTBC-XMMPIXPASA-N 451.596 2.890 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(C=C)cc2)CC1 1705645023 IXWSNJPWDSACJU-MHZLTWQESA-N 477.609 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2sccc2Br)CC1 1705648917 CXNPDVAULMHZOY-UHFFFAOYSA-N 488.415 2.517 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705649902 IEDMBACMJSTUNC-WIOPSUGQSA-N 477.609 2.825 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1705704801 ZISVNDGOLSLTMB-WMZOPIPTSA-N 451.497 2.791 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1705717942 WCILWOGVBZUPLF-LJQANCHMSA-N 488.637 2.969 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2Cl)CC1 1705782253 RPODMBXBHQQGCL-FQEVSTJZSA-N 480.034 2.910 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1705792466 UIUIDBJUBQSTEJ-INIZCTEOSA-N 457.666 2.545 30 10 JFEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705800782 JFILVZQCMDTZMR-KRWDZBQOSA-N 487.402 2.519 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1705805902 RSGOKLGZRAEADZ-OAQYLSRUSA-N 459.616 2.571 30 10 JFEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705817617 OLOBBIMRKKJWJM-GOSISDBHSA-N 460.579 3.000 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1)C1CC1 1705854274 JOOPQOAEZVKKAD-OAHLLOKOSA-N 471.505 2.719 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1705861395 DTWVCNDNHQMTPR-LJQANCHMSA-N 480.656 2.586 30 10 JFEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1705893844 ILSOCFXGXXFSDP-REWPJTCUSA-N 468.602 2.511 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)C1 1705934410 LKSIBYKISQFHLR-KRWDZBQOSA-N 470.599 2.512 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCOCC2(CCC2)C1 1705935435 RLGGRNUEHJFUEI-UHFFFAOYSA-N 466.554 2.755 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H]1CCCOC1 1705938325 VMXPPOLAMGUKAF-LJQANCHMSA-N 457.600 2.745 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1708356749 CHPNEOWWJUVERJ-VAPDBKPJSA-N 493.612 2.936 30 10 JFEE CO[C@@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712038260 CCUVBIMEKPGNGH-PWRODBHTSA-N 452.559 2.681 30 10 JFEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722313606 WXFWSVBCRBDZKO-OFVILXPXSA-N 473.625 2.999 30 10 JFEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722334712 IONWLXXGLDJCLT-UHFFFAOYSA-N 461.545 2.577 30 10 JFEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722335877 QCYXZYGCRJDWBM-LJQANCHMSA-N 454.644 2.913 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722368360 QIMLEBXZQNIITG-VQTJNVASSA-N 464.632 2.743 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1cccs1 1722389184 FSFKUGNBYGKNOF-UHFFFAOYSA-N 463.563 2.917 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccc(O)cc1 1722394768 DZCOYYCHCGMKDM-UHFFFAOYSA-N 476.606 2.958 30 10 JFEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1722417099 VCDASGRZYGNAFC-XMMPIXPASA-N 455.628 2.833 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCn2ccnc2C)CC1 1722443367 ROUBEJSOUACSIK-UHFFFAOYSA-N 491.596 2.523 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1722459229 GAZDTUSWDCFGQE-BHIFYINESA-N 460.692 2.881 30 10 JFEE C#CCSCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722464051 TUKMRJLGOTYKOM-IZAXUBKRSA-N 476.647 2.520 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCC(OC)CC1 1722474765 KHWKUXALVJREJV-QYXIYQDXSA-N 459.635 2.884 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1722523430 TVZPHBNCTUZBDS-SFHVURJKSA-N 480.034 2.611 30 10 JFEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1722594422 KYVAXPZONIKHAI-QHCPKHFHSA-N 466.630 2.742 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1722623883 NFJXQXMPEVRXKG-KRWDZBQOSA-N 498.809 2.905 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC 1722664181 RXSGTHUUEALOHI-IHPCNDPISA-N 495.671 2.680 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722682119 MDBXYTBHPJCYRK-SFHVURJKSA-N 456.978 2.790 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722695509 GAQADEOYDDIYOL-QGZVFWFLSA-N 459.978 2.923 30 10 JFEE Cc1cc([C@@](C)(O)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)c(C)o1 1724157211 IEDMSCQWOXFICA-MWTRTKDXSA-N 486.598 2.514 30 10 JFEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)[C@H]1C 1726769299 ASZJRIMTIIEJAJ-OALUTQOASA-N 456.616 2.781 30 10 JFEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1729733088 CSHVRHYASSHPLU-IBVKSMDESA-N 494.644 2.701 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2ccco2)c1 1730994208 HWNWGSRFHRECNK-UHFFFAOYSA-N 482.566 2.502 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1740547068 NXBRYSVEKXGVBE-LEWJYISDSA-N 490.656 2.720 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](C2CC2)N(C)C)c1 1740562707 MXTVNHXXYBDHRD-FCHUYYIVSA-N 450.587 2.916 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740590377 DUPQTTPOOORPES-UHFFFAOYSA-N 498.578 2.501 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740621418 XFQUUPXXUKPKEA-NRFANRHFSA-N 499.040 2.730 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740638022 GKCDKMVIBLFBBO-NHCUHLMSSA-N 471.609 2.868 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCSCC2)CCCC1 1740646887 KUPDBYBTQZEWGH-VWLOTQADSA-N 471.671 2.755 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740684010 ILTKIQPULYSWJE-UHFFFAOYSA-N 456.554 2.980 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCSCC2)cc1 1740684859 DBVAQMSPPXQGPY-OAQYLSRUSA-N 455.628 2.860 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740699914 YPJYXAVKMXCZFX-IBGZPJMESA-N 491.423 2.834 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1740716351 QDOGCHUZEWYXBL-NSHDSACASA-N 455.428 2.917 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1740742760 ATEZMBWYOVBGQT-UHFFFAOYSA-N 483.374 2.861 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740753017 DUETZEMCFMAHNU-SBHAEUEKSA-N 454.531 2.939 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1740923212 GJONGXQSEYAASR-SFHVURJKSA-N 494.668 2.678 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](CN(CC)CC)C1 1740952802 OAWINHNAKWGGIO-MRXNPFEDSA-N 478.439 2.516 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740955675 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C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1588039647 BFXQGFIZVHFSCF-HXUWFJFHSA-N 472.611 2.522 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588074544 OKBZYBPENHDSCJ-MAUKXSAKSA-N 484.500 2.545 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCCCS(C)(=O)=O 1588093942 SEDWZCOSXNLLLQ-UHFFFAOYSA-N 463.401 2.995 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588144055 RQSGLAIIFBNCQV-HXUWFJFHSA-N 481.469 2.873 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccn(C)n2)CC1 1588871589 IXMHRCPSBFUMFB-UHFFFAOYSA-N 460.369 2.701 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)CC(F)(F)F 1589171958 VFXFCDFALOYZNS-OAQYLSRUSA-N 498.575 2.682 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 1589506668 ZLHXFJULFGZDQD-KXBFYZLASA-N 476.375 2.634 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1589708676 SFJSVYLNRDZQAD-SFHVURJKSA-N 465.558 2.980 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1594497461 HMAQQWHTYRREGN-QZTJIDSGSA-N 460.579 2.918 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595387307 ZQPVJLWWQSYVDQ-OAHLLOKOSA-N 461.592 2.528 30 10 JFEE C#CCN(C(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1596146848 DWDDWFVRMNBFGY-SFHVURJKSA-N 453.580 2.778 30 10 JFEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C 1608033047 HPTJWCBHUCMNSN-QHCPKHFHSA-N 499.685 2.940 30 10 JFEE CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1613517219 GGESISZNQWVZQF-ZJSXRUAMSA-N 455.582 2.843 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2sccc2Br)CCOC1 1616260401 CCZZCGBHZILKBK-ACJLOTCBSA-N 468.377 2.531 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)n1 1627670482 VMGPZNBJTOKURT-MRXNPFEDSA-N 454.581 2.787 30 10 JFEE C=C[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 1633696131 QROJOEYCBUSRBO-PWAGRJGVSA-N 454.523 2.860 30 10 JFEE COc1ccc(CN(CC2CC2)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 1633959653 FNQWUBQMBNNPIC-INIZCTEOSA-N 457.552 2.681 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)C1 1644638551 UHIWRRPJCQHGSH-WOJBJXKFSA-N 457.575 2.569 30 10 JFEE Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc12 1646146992 FMBBNLYSTJYYCN-UHFFFAOYSA-N 454.899 2.613 30 10 JFEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)CCCO1 1649561778 GYLPRTLOAKSSGH-FQEVSTJZSA-N 465.602 2.523 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1689865342 RYHXFBWORCUVGY-FMGIXGHUSA-N 471.577 2.724 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@@H]2C)c1 1689868474 HXVQKVBDEUSSLK-ICSRJNTNSA-N 487.564 2.654 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1689930133 LFKCJDMBTNCHHE-QETWGEEDSA-N 493.674 2.589 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689981929 DPPHKAZXSLLZEL-UONOGXRCSA-N 485.429 2.575 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1690001865 UTWKXIKXPGNWRF-UXHICEINSA-N 471.602 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(OC(F)F)c1 1690043594 GVJCOXVXWWVJKM-UHFFFAOYSA-N 489.486 2.700 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCC(OC)CC2)CCCC1 1690086886 BTIRNZSRECTQAY-UNMCSNQZSA-N 459.635 2.885 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690254611 DUNSPUMGIZGAAR-SKPFHBQLSA-N 477.606 2.578 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690297653 APARROBVPCNNCH-FQEVSTJZSA-N 487.649 2.671 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690303204 VGDMIKCOMJWNEQ-MRXNPFEDSA-N 465.396 2.933 30 10 JFEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1690451751 OKQATTUDYWHHOS-FQEVSTJZSA-N 458.994 2.739 30 10 JFEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1690462675 MSRHBNLUBXHDCC-MOPGFXCFSA-N 476.622 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@H]1C 1690717598 KNUOWBGLUQEKRV-KGLIPLIRSA-N 488.477 2.977 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690726959 RKBPOQDHXNAXFG-UHFFFAOYSA-N 485.635 2.693 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1692548319 BLYZQRBGVSGUOI-UHFFFAOYSA-N 484.626 2.669 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCN2CCOC2=O)c1 1705504562 AHPMJPLQPSLUGI-UHFFFAOYSA-N 462.510 2.745 30 10 JFEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705509929 PUFUXQXJGRISSI-UHFFFAOYSA-N 479.585 2.791 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705557106 LTXBXZLRJQTFOY-UNMCSNQZSA-N 471.627 2.748 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705559965 CGQOGYDXDXRANF-QRWLVFNGSA-N 498.565 2.889 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705560377 GJZBSLOQBZTESA-LEWJYISDSA-N 494.646 2.808 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1705563378 WHZZZUDTWGQKQV-SFHVURJKSA-N 487.582 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(C)=O)cc1 1705600365 WNZVUQLAZAWFQN-UHFFFAOYSA-N 451.534 2.986 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(C(N)=O)CCOCC1 1705607380 BAUOKBHSJWGSLT-UHFFFAOYSA-N 452.378 2.511 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(N)=O)CC1 1705698280 RRLJFGHPAPDCPT-DYESRHJHSA-N 455.559 2.645 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705733906 XKKMSRMHSBVOPL-XMMPIXPASA-N 455.559 2.804 30 10 JFEE C=C(C)COCCn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@]1(OCC)CCOC1 1705740622 QVPAWVQYJVDHFT-QFIPXVFZSA-N 450.580 2.645 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1705830104 JDJPXOWGAZBJAU-LJQANCHMSA-N 475.615 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 1705935031 DZKQLSAYPXLBAJ-UHFFFAOYSA-N 495.596 2.631 30 10 JFEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1706685032 CBWLPJCKWNBXMO-HXUWFJFHSA-N 472.615 2.635 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(COc4ccc(F)cc4)n3CC(F)(F)F)CC2)c1C#N 1707807530 CTONCAHCUCNBNY-UHFFFAOYSA-N 478.454 2.799 30 10 JFEE C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CCN1CC(F)(F)F 1708217220 BDRBHUMQYDUECB-CYBMUJFWSA-N 496.431 2.759 30 10 JFEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)CCOCC1 1712198572 FLKRIZPPBMONSL-OAQYLSRUSA-N 466.586 2.612 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nc(C(F)(F)F)cs1 1722282962 PNBTVIFEXPSUBD-LBPRGKRZSA-N 459.461 2.902 30 10 JFEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722310149 HOYPPQQNUKNRDZ-INIZCTEOSA-N 497.463 2.615 30 10 JFEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722352374 WFLIFMGMABFKNJ-SFHVURJKSA-N 457.447 2.870 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722365823 POMGPJMJXNKSCX-UFYCRDLUSA-N 489.617 2.668 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1722388376 VQCZKFFWKKUGQG-SFHVURJKSA-N 456.591 2.585 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCc1nnc(C)s1 1722401059 JVWQACGRMPRNCV-UHFFFAOYSA-N 453.597 2.525 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCn2cc(C)nc21 1722404634 CFYKZGVKSSQDNX-LJQANCHMSA-N 452.584 2.891 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1722439587 ICYMPVVVICOGEF-HSZRJFAPSA-N 457.626 2.930 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OCCN(C)C)cc2)CC1 1722444967 QLLHLZWSPINGNH-UHFFFAOYSA-N 480.657 2.725 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722492220 DNRLKAGRDYEHAR-RUGDWHBFSA-N 466.380 2.867 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722499088 HHOIQIKNFNRQBB-SJLPKXTDSA-N 459.513 2.691 30 10 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30 10 JFEE CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)c(O)c1 1151827453 BKJJJXYQRUUFRK-UHFFFAOYSA-N 458.540 2.605 30 10 JFEE C=CCNc1ncc(C(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)s1 1155070841 WXQUTFOMCIJIND-HNNXBMFYSA-N 451.593 2.767 30 10 JFEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCCc2ccccc21 1178955288 WOMNGFSWTYTRRK-OAQYLSRUSA-N 456.564 2.912 30 10 JFEE Cc1nn(C)c(N2CCN(Cc3c(Br)cncc3Br)CC2)c1C#N 1180950509 BWEKHWUYYIWODH-UHFFFAOYSA-N 454.170 2.842 30 10 JFEE C#C[C@H](NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1227779255 SBRXDGMPWGVXPH-KRWDZBQOSA-N 457.390 2.729 30 10 JFEE C=CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1279540799 MCGWCZZBGTYGEB-ZDUSSCGKSA-N 451.408 2.620 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1286288504 HHHKPXMDDKEAIO-NRFANRHFSA-N 490.656 2.721 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2occc2C)c1 1286310721 GHUPVWFPQGKLDC-HXUWFJFHSA-N 490.564 2.560 30 10 JFEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286326405 CETKFXDZEUIIPH-UHFFFAOYSA-N 461.545 2.632 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1286385880 QMUHBDDATAWSGU-QTEQDKRBSA-N 469.655 2.865 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 1286386545 CMBSEUDTMUDKRK-HXUWFJFHSA-N 467.620 2.931 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1286388213 MEKKEDHDXUSDAA-FYYLOGMGSA-N 469.655 2.866 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286395955 SZFWXCUWJKYMKG-FGZHOGPDSA-N 477.675 2.803 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1(CS(C)(=O)=O)CC1 1286460922 RSAQUNRZZDFLMD-UHFFFAOYSA-N 487.445 2.680 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCc1cc(C(F)(F)F)ccn1 1286468693 GGTCUGWQRKZRNC-UHFFFAOYSA-N 461.492 2.882 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(CSC)cc2)CC1 1286473985 ZKGLCJXDJQVZOF-XMMPIXPASA-N 455.628 2.597 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1286474806 PVCVJXBFTMGXBP-OAHLLOKOSA-N 457.991 2.961 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286498678 DLKMVEDAVCPQHO-UHFFFAOYSA-N 479.654 2.993 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286547951 QSNKKTLTCIUHKF-CGXNFDGLSA-N 491.662 2.524 30 10 JFEE C=C(C)Cn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286599168 NEVCXEKSQYFHJC-DEOSSOPVSA-N 457.550 2.996 30 10 JFEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CC1CC1)c1ccccc1 1286616959 GKJZNGHYGZKUEZ-OAQYLSRUSA-N 459.616 2.951 30 10 JFEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286653533 ATKFAELSOXGFEF-UHFFFAOYSA-N 450.992 2.941 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286703345 KIYOLDGACZMYMI-UHFFFAOYSA-N 468.650 2.677 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286708904 UJNDMATXXXFICV-CQSZACIVSA-N 481.420 2.918 30 10 JFEE 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KDMAEEKVOCDZGK-UHFFFAOYSA-N 485.639 2.695 30 10 JFEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCCS(C)(=O)=O 1507782733 PJKWIOBFGISOBF-UHFFFAOYSA-N 479.404 2.910 30 10 JFEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507789308 BEZMIGDSVZEAGI-SFHVURJKSA-N 465.440 2.662 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1507806933 LJMWSZYGXOFMER-HSZRJFAPSA-N 471.631 2.536 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1507935124 MZAHVMORYQIYIZ-FQEVSTJZSA-N 482.695 2.526 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCCC2)CC1 1508073756 PBOQNKYBBXSDNL-UHFFFAOYSA-N 460.529 2.913 30 10 JFEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508094525 GWIFTURKVHPZHN-FQEVSTJZSA-N 491.640 2.960 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098736 REVSVIIZHGWPTC-NTKDMRAZSA-N 457.550 2.754 30 10 JFEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1509245769 HLXVCHUCYJLCBE-UXHICEINSA-N 456.616 2.971 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1510152378 BMPLVMXAZBZYEZ-OAHLLOKOSA-N 489.989 2.524 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)c1C 1510381441 AMRILDMYAWAARL-XMSQKQJNSA-N 476.578 2.512 30 10 JFEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C 1515921884 AOJDJZZMIYAAIX-QPPBQGQZSA-N 481.645 2.616 30 10 JFEE COC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1517723520 CSCZQMQFRJUUOP-HTAPYJJXSA-N 472.571 2.537 30 10 JFEE COCCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1518938177 BXSBOOCOSHTTLO-NRFANRHFSA-N 486.642 2.884 30 10 JFEE COC(=O)C[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(OC)c(OC)c1 1524015571 CKKODAKYSGUQPB-PKOBYXMFSA-N 455.486 2.961 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1539203632 SXYMBYHNWDHOHH-ZDUSSCGKSA-N 475.562 2.920 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1539220872 VUVIVTKICGILLP-AWEZNQCLSA-N 475.562 2.821 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1539226047 TWSUCSFIFYQLJV-IBGZPJMESA-N 498.678 2.887 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1539267036 VWCZMFFMGFRFHA-FSSWDIPSSA-N 484.645 2.780 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCN(CC)S(C)(=O)=O 1539347683 XNNNUAURDXINRD-UHFFFAOYSA-N 468.421 2.839 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(CS(C)(=O)=O)CC1 1539402429 CAVKXEBUBVOTLH-UHFFFAOYSA-N 499.406 2.758 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(CC)c1 1539517362 MOQQXMVXPRHCNT-LJQANCHMSA-N 489.646 2.806 30 10 JFEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1539744060 CMDCEOMQSJKPSP-IBGZPJMESA-N 465.602 2.798 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(=O)NCCCOC)CC1 1540857829 RQINCHBHJUUBEL-FQEVSTJZSA-N 490.649 2.948 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2c(C)cccc2C)C1 1540892251 INSFYHSZVVWMPL-WOJBJXKFSA-N 460.600 2.657 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540897276 FVOMRNQGTNCWML-GOSISDBHSA-N 455.625 2.697 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1540904772 QERYZFIGZINSFG-INIZCTEOSA-N 493.577 2.782 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2sccc2C1 1541798106 BLHFIOUNKCJHFP-MRXNPFEDSA-N 450.572 2.784 30 10 JFEE COCCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555414880 FYNWVSMRYXSNQJ-NRFANRHFSA-N 466.586 2.913 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1-n1cccn1 1587639627 MJAHBODKPHQPGH-QUCCMNQESA-N 492.584 2.673 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(CCO)Cc1ccc(Br)s1 1587798900 VKEBNNYPXSURCT-UHFFFAOYSA-N 454.394 2.653 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588040117 IIOVNWYOOHHELK-ATZDWAIDSA-N 493.427 2.759 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588059586 QOHKNVVQHMLMGC-MOPGFXCFSA-N 491.608 2.648 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588064282 FJZRCDZBOYFTDP-OAQYLSRUSA-N 461.676 2.902 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1588070318 YOXJFTCLKQECBC-OAQYLSRUSA-N 495.605 2.553 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1588166817 QATYDOCUUTZMOF-YADHBBJMSA-N 484.645 2.780 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1588283973 JCXSICGEHUDTKO-ZZEZOPTASA-N 469.343 2.694 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCCn2cc(Br)cn2)CC1 1588955462 XVIAZFDCWUNFFB-UHFFFAOYSA-N 488.434 2.636 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CCCC2)CC1 1588961575 FBHQRMHXJUKTFL-UHFFFAOYSA-N 465.598 2.690 30 10 JFEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589006699 HBHXBFLTZCENMN-UYAOXDASSA-N 456.612 2.969 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1589007721 PEWKNWMPBPTSLJ-AWEZNQCLSA-N 450.406 2.892 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1589243127 UNHHSYPDZBCZPC-HFZDXXHNSA-N 461.614 2.747 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589316651 FIGIYLISIZFVSG-OAHLLOKOSA-N 463.380 2.544 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 1593753061 UZCOOMWZTMKHAF-UHFFFAOYSA-N 455.513 2.856 30 10 JFEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1594787874 BSDWKXJZGWLNGA-UHFFFAOYSA-N 464.570 2.689 30 10 JFEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1595065323 NWYRSYQUIQTJHK-UHFFFAOYSA-N 488.614 2.718 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1595350673 PULFGBVVXQZYNH-MRXNPFEDSA-N 451.980 2.797 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cnn(C)c1C 1595496959 MEPFVRLPGVJUTB-UHFFFAOYSA-N 488.390 2.697 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1595784307 DCPVWMUGHFPPSB-QFBILLFUSA-N 459.597 2.969 30 10 JFEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1595896255 WZBRIVNNXPVDLD-WOJBJXKFSA-N 460.692 2.776 30 10 JFEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1ccc(F)cc1 1611583689 HQLGZWGUCMLKOY-DYESRHJHSA-N 490.605 2.684 30 10 JFEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1612451668 CHAGBPHGYYFQDK-QFIPXVFZSA-N 465.558 2.564 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(NC(=O)CSc2nncn2C)c1 1623821823 RJLCXONTPCLSPD-UHFFFAOYSA-N 455.540 2.850 30 10 JFEE C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1650707123 HHEDWBFAGHAZKY-OALUTQOASA-N 454.596 2.631 30 10 JFEE C#CCOc1ccccc1NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1660837563 SKYGQBPBOJQTNF-GOSISDBHSA-N 456.543 2.774 30 10 JFEE CC[C@H](C#N)Oc1cc(CNC(=O)NCc2cccnc2N2CCN(C)CC2)ccc1OC 1677696404 BYTOOCQXFVVNNE-HXUWFJFHSA-N 452.559 2.522 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cc1 1680814768 FEGBOADZTKEFCO-QFIPXVFZSA-N 454.552 2.950 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1689847736 HAFQHPZKCNHVRZ-NRFANRHFSA-N 490.656 2.551 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1689980514 SYIAQKGNFOADCO-GMKZXUHWSA-N 483.682 2.983 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689997074 VKAQDERDOHITEI-HXUWFJFHSA-N 458.632 2.737 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)Br 1690036008 RMRUFUNVRYKVPA-UHFFFAOYSA-N 476.400 2.567 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1690110433 MGBNYLVJJNGEFW-QHCPKHFHSA-N 486.624 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1690142386 MTTXZAUHVIYAQT-HSZRJFAPSA-N 475.597 2.551 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)C)CC1 1690237858 BQZLYSHISAOUMP-RBBKRZOGSA-N 473.643 2.860 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690421215 YYNWDOMIHUWDOI-QGZVFWFLSA-N 470.574 2.787 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(=O)NCC)cc1 1690522444 ALOWBRAEYZAQFE-UHFFFAOYSA-N 467.599 2.658 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1690632932 YJBSFJSLCGFHRZ-UHFFFAOYSA-N 490.630 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1690724755 WBOILUYGKPWJEK-IFMALSPDSA-N 473.643 2.878 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)C)C2)C1 1690812081 GMXUHRWWGNDUKJ-GMAHTHKFSA-N 466.586 2.848 30 10 JFEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1692621908 GZOZQLWSKRHQJA-UHFFFAOYSA-N 454.575 2.848 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2COCCO2)c1 1705507460 BXDKZNKPWPXTFO-QZNHQXDQSA-N 481.597 2.668 30 10 JFEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705513320 IBQVIKYRIRALGM-UHFFFAOYSA-N 477.569 2.814 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1705581127 XOJKJSWSORGERA-UHFFFAOYSA-N 494.559 2.540 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1cccc(C(N)=O)c1 1705581685 ITRJEROKRNPJBK-UHFFFAOYSA-N 490.608 2.807 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCC(C)(C)C1 1705628962 UBZOKBVGOKFMAJ-JOCHJYFZSA-N 453.587 2.999 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CCC(C)CC2)CC1 1705639416 NMPBQEJKFAFLIA-HSZRJFAPSA-N 499.704 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC=CO2)CC1 1705645863 HQGDMTJEVNVEAC-FQEVSTJZSA-N 465.554 2.621 30 10 JFEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CC(N)=O 1705655457 MJUMXFCOTMUHEZ-GFCCVEGCSA-N 454.369 2.913 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)NC)CC1 1705828054 ZHLKBGXNWGORAC-UHFFFAOYSA-N 493.406 2.770 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1)C(C)C 1705867686 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C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1748815268 NYHZVNARDPEGFY-NLWGTHIKSA-N 493.029 2.920 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1748819771 TWMGSYUMYZDSQD-ICSRJNTNSA-N 469.636 2.831 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 1748999096 IBAKFDTURGSZDJ-AREMUKBSSA-N 464.614 2.522 30 10 JFEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749033233 BJLFLFACFQBQBC-QFIPXVFZSA-N 460.692 2.533 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2cccs2)CC1 1749039667 YNIJBZCTQYUYHB-KRWDZBQOSA-N 478.665 2.707 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCCS(C)(=O)=O 1749126549 DQINVXZEFHYALZ-SIKLNZKXSA-N 484.626 2.983 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1749374146 ZTEVKQUHICIKNT-HXUWFJFHSA-N 492.690 2.834 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1749428067 YGWIYPMVRGWFPA-PZJWPPBQSA-N 477.606 2.785 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749655920 UEBMWVXIGJEWER-UHFFFAOYSA-N 482.932 2.531 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)OCC)CC1 1749659180 WTZQEIBUMXQAOR-INIZCTEOSA-N 472.615 2.712 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1749721571 OBHZYIJVKGQPBX-INIZCTEOSA-N 455.625 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(NC(=O)c3ccccc3C)CC2)nnc1C(C)(C)C 1749739896 MMQRRSMJJFANHH-UHFFFAOYSA-N 473.643 2.884 30 10 JFEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1749762634 FKJAQPSLMZHLQK-UHFFFAOYSA-N 458.526 2.749 30 10 JFEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCOCC2)C1 1750994887 BLLSQBFQPRSGGO-UHFFFAOYSA-N 452.559 2.650 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](C)CN1CCCC1 1751156644 BYPBLGUSLWVIFJ-UXHICEINSA-N 497.669 2.786 30 10 JFEE Cc1c(Cl)cccc1NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1751377295 AVOQPAUSQDEHDC-GOSISDBHSA-N 455.950 2.960 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CC1(C)CCN(Cc2ccccc2)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283069085 NJBMZJOVWUVKNC-UHFFFAOYSA-N 450.392 2.903 30 10 JFEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)OC1(C)C 2283070694 YDLHYYPGUYLQDE-HXUWFJFHSA-N 450.392 2.808 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)c1cc(=NC(=O)OC(C)(C)C)[nH]n1C 2283942951 QYJWUZRPWYNCMS-UHFFFAOYSA-N 476.408 2.822 30 10 JFEE C[C@H](NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283980018 VKUDMOOSXHDWJW-RCDICMHDSA-N 481.424 2.646 30 10 JFEE Cn1cc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)c(=NC(=O)OC(C)(C)C)[nH]1 2284044561 BGKRTADRKRFBAI-UHFFFAOYSA-N 460.315 2.880 30 10 JFEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2284052778 HHYKZHWXYJMJDZ-BEFAXECRSA-N 460.380 2.803 30 10 JFEE Cc1csc(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2284435341 LXQROZBTUYELBR-XMMPIXPASA-N 470.400 2.815 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2285208283 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JFEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286346541 XNDZQFRXIFCNDI-UHFFFAOYSA-N 470.624 2.943 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=O)N1CCOCC1 1286399283 CUHLTMNUSCEQAO-IBGZPJMESA-N 469.973 2.620 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1286426284 QKAAMYLWLWDLNP-UHFFFAOYSA-N 499.619 2.931 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1CCC(OC)CC1 1286429398 GFPALYCRBYVBMM-UHFFFAOYSA-N 473.625 2.869 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1(S(C)(=O)=O)CC1 1286450923 NUEPQDWFDVMFHC-UHFFFAOYSA-N 467.389 2.656 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286493968 JSQWGQGDQWPETP-VWNXMTODSA-N 463.626 2.970 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286495389 UZMGJLYCXKRKFX-SJLPKXTDSA-N 478.663 2.912 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286503424 AVUQSKWVLMLKDB-UHFFFAOYSA-N 488.614 2.866 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286510452 SOOPSDOZKUFWQI-OAHLLOKOSA-N 485.507 2.867 30 10 JFEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1286606124 HMZDHVPHKMPCTM-UHFFFAOYSA-N 459.501 2.574 30 10 JFEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286776025 UWGDOALLHQGTAY-RTBURBONSA-N 472.584 2.960 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cccs1 1286780884 KRMLPQWUGKYCOJ-UHFFFAOYSA-N 458.975 2.862 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CCOC2)C1 1286801721 GTIGSLDDWNABSQ-UTKZUKDTSA-N 463.376 2.949 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286802015 MFLGMXDASSKKIQ-UONOGXRCSA-N 487.445 2.985 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(=O)NC)C1 1286803445 HWZHHOHXYFRMSU-HNNXBMFYSA-N 464.364 2.634 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286822919 PGRBLZSTIMYAKC-UHFFFAOYSA-N 480.638 2.688 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C 1286825730 WDQCZQQXFJFQRO-RCCFBDPRSA-N 454.637 2.801 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286825784 XMTUKDGSLFJLSU-BZUAXINKSA-N 480.553 2.565 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1286836019 FAKNKYSIXLWUED-IRXDYDNUSA-N 464.636 2.984 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1300403154 JJYXUWALPCIEHN-LJQANCHMSA-N 461.570 2.754 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300497916 FAGAHGCMSAYUFD-IBGZPJMESA-N 493.624 2.893 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300504041 IXMONJACNBKLJE-AUSIDOKSSA-N 493.029 2.952 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1300523210 XRRCSARGIHDPQL-HXUWFJFHSA-N 470.595 2.783 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCCC1(C)C 1300577908 FHVQRICBIBEERD-VQTJNVASSA-N 471.602 2.865 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCC1(O)CCOCC1 1300666178 XQISYFKKYVKAKL-UHFFFAOYSA-N 463.376 2.725 30 10 JFEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCSCC(C)C)CC1 1300695915 PIAWWHUHGPRRRQ-UHFFFAOYSA-N 489.715 2.773 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1300710889 PCPQRJNILKDYNY-LJQANCHMSA-N 460.623 2.968 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](CC(C)C)N(C)C)CC1 1300718854 YICYPZBOIWCIFF-QFIPXVFZSA-N 481.601 2.795 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 1300761401 CLUPAZQJEIQLFM-MOPGFXCFSA-N 479.647 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(C)=O)CC1 1300889220 BKMXJLWMSIGRPU-AVRDEDQJSA-N 486.642 2.698 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1300891215 XVMDNSAXVJJFDE-GHTZIAJQSA-N 480.034 2.585 30 10 JFEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1)C1CC1 1301327392 REHWMDMYZJKCQL-KRWDZBQOSA-N 484.605 2.701 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCCC2=O)C1 1303935305 IBKRXLWWPYNANA-XMMPIXPASA-N 484.626 2.881 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCc2nnc(C)s2)CCOC1 1314080201 CCSNMVMXWNBQFF-QFIPXVFZSA-N 453.572 2.841 30 10 JFEE COCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315763989 BRSUKESFMBYRGN-UHFFFAOYSA-N 478.601 2.867 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)CN1CCCC1 1358875133 JMCGCVRWZVSMJR-ZWKOTPCHSA-N 457.648 2.736 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1358876332 HRSDUIKHIPPGPO-HNNXBMFYSA-N 489.623 2.769 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC1CCCCC1 1358878042 OWLUUVIIYJDYCN-KRWDZBQOSA-N 457.600 2.646 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H](C)CN2CCOCC2)c1 1358902671 WDSAIERJQJUSIQ-IBGZPJMESA-N 450.587 2.570 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1358957436 UPDZWRNLTWMIPZ-MJGOQNOKSA-N 499.568 2.636 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358958707 ULYZFCCHYKFOBH-BHDDXSALSA-N 456.612 2.949 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN(C)c1ccccc1 1358994374 LNZZGCDZOVAFCA-OAQYLSRUSA-N 453.612 2.560 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359005444 IUUZJKXQIPMZAR-HSZRJFAPSA-N 459.598 2.896 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1359026969 QNMLKJJYHWIAIO-PMACEKPBSA-N 460.623 2.776 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2(COC)CCCC2)CC1 1359030599 ZEYSCHPGPAKYPM-RUZDIDTESA-N 459.635 2.671 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)N2CCOCC2)CC1 1359039078 WMOHRZHSGOGWPQ-GOSISDBHSA-N 493.439 2.640 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1359039732 TWPHBFWEYJRAFZ-HXUWFJFHSA-N 498.628 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2scnc2C)CC1 1359047596 MVUUFZUNUKZCBC-UHFFFAOYSA-N 482.585 2.970 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359056546 HAMZTSWLCZPRQI-IBGZPJMESA-N 458.588 2.581 30 10 JFEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359062117 WNRYZSUWIPPJCT-UHFFFAOYSA-N 466.636 2.902 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359169578 NKCLPBZRGFCWRV-MOPGFXCFSA-N 494.662 2.788 30 10 JFEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](SCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359305787 MTCNRMFLIZRUKE-XMSQKQJNSA-N 451.637 2.733 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1359320116 MANKASHVLISBFP-PMACEKPBSA-N 460.600 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1359329340 GEGYXCLJRJGAET-HSZRJFAPSA-N 476.599 2.570 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359330359 OXCAAVSVXYQXPH-GOSISDBHSA-N 490.561 2.769 30 10 JFEE 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C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(CCN3CCCCC3)n2CC=C)c1 1472962713 QFKKIZJKHHUPBI-UHFFFAOYSA-N 452.584 2.914 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(C)nn2C)c1 1504139702 GASHVDVXQNHHNN-MRXNPFEDSA-N 472.347 2.535 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(COC)CCOCC2)c1 1507548526 AGAQLPKFXMFCGN-UHFFFAOYSA-N 474.565 2.840 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@H]2OC)c1 1507548870 WNUIIEAWBCGCDN-PZJWPPBQSA-N 487.564 2.797 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2CCC)c1 1507550496 LNWYWLURCDCSCT-IRLDBZIGSA-N 450.587 2.713 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1507570978 YIAMBMWCIFIUKF-UHFFFAOYSA-N 483.642 2.799 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1507631758 SXOWHCDGRCKCON-FCHUYYIVSA-N 482.610 2.573 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1507636629 BOFDTSPDZZYSCZ-IFMALSPDSA-N 472.611 2.788 30 10 JFEE 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C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1539902705 MHKIZZDGYOESBE-KRWDZBQOSA-N 466.677 2.874 30 10 JFEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539965822 BLCCPNIVEMBQQN-PXNSSMCTSA-N 461.588 2.665 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1540128827 PXVQVMUHKHIMBE-NHCUHLMSSA-N 484.626 2.721 30 10 JFEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 1540622375 GZUUOQAEHASIFQ-IBGZPJMESA-N 450.514 2.664 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1540899823 BFJBIPFPKCXLDS-UXHICEINSA-N 476.599 2.914 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCS2(=O)=O)C1 1541987567 BGYGJFPBEAVTGK-NRFANRHFSA-N 480.541 2.712 30 10 JFEE C#CC[C@]1(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CCCN1C(=O)OC(C)(C)C 1542553186 HRKSBQPDZGCCQU-GCKMJXCFSA-N 457.493 2.649 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCc1c(C)noc1C 1548369144 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C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588068880 BINLDXDBDXTHDH-HXUWFJFHSA-N 483.594 2.640 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2Cc2cc(C)nn2C)n1 1588723787 PRODJIXVUDRHKS-UHFFFAOYSA-N 462.533 2.657 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCO[C@H]2CCOC2)CC1 1588751266 JWQKTIHJAPNEJX-PMACEKPBSA-N 457.550 2.508 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)c1cc(OC)cc(OC)c1 1589496000 VIRQCELCXDWSFO-GUXCAODWSA-N 479.603 2.655 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3c(s2)C[C@H](C)CC3)CC1 1594193041 NGRARHJUWXDEDE-CABCVRRESA-N 464.661 2.920 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccccc2Br)C1 1595523348 UTIKSFYLJDTHFP-IBGZPJMESA-N 485.386 2.926 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)c2ccccc2)C1 1611768958 GXVLWHJCOVBYPX-HSZRJFAPSA-N 450.568 2.868 30 10 JFEE CC(=O)OC[C@@H](OC(C)=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 1616048826 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JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cscn2)CC1 1722697315 ZQBKUPWFZRJSPY-UHFFFAOYSA-N 457.991 2.679 30 10 JFEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1727682078 AXFFKUZGBYJNQP-FXAWDEMLSA-N 474.656 2.820 30 10 JFEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1729754636 GBBCSPQJQVOGTH-SFHVURJKSA-N 494.577 2.610 30 10 JFEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1730341618 FWQQPWUMIYJVRM-JKSUJKDBSA-N 454.556 2.526 30 10 JFEE COC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C#N)OC 1730467608 BWVBSHAOSSZKKO-WMZOPIPTSA-N 450.584 2.650 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC[C@@H]2COCCO2)c1 1740564155 CIVSSUJZEDJNQK-OAQYLSRUSA-N 465.579 2.792 30 10 JFEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740595830 YZZBKXKZKRDZLI-UHFFFAOYSA-N 459.616 2.795 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1740620743 XPLYYPGANCWJBY-OAQYLSRUSA-N 485.654 2.786 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1740626492 LCRBCGZIMDPDAI-BJKOFHAPSA-N 499.681 2.689 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740626969 ZJURFHDOQTZRFT-BAGYTPMASA-N 456.612 2.505 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CC(F)(F)F)CC1 1740630753 LPUUENLJAZUWLO-UHFFFAOYSA-N 493.555 2.696 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)C1(OC)CCOCC1 1740643574 KMUBKHNSZVIOFH-UHFFFAOYSA-N 469.492 2.632 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccccc1N1CCOCC1 1740686748 LPIPZHVWLUHWPK-UHFFFAOYSA-N 451.596 2.901 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2nnc(C)s2)CC1 1740691150 VWENZUAFKWVHOR-MRXNPFEDSA-N 455.563 2.715 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1740693321 XZYXGVMPMTZNHB-UHFFFAOYSA-N 498.628 2.975 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1740701060 SOCPBGBJLLXSAS-WPYKKVEZSA-N 471.577 2.754 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2cccc(C)c2)CC1 1740703021 DGBKBZFEAZIKJE-HHHXNRCGSA-N 495.624 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1740707392 ADMIKYCHRCPTRB-JOCHJYFZSA-N 476.581 2.654 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1740707715 NGGAOYJPGWGGHO-QFIPXVFZSA-N 476.581 2.510 30 10 JFEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740713980 OJNYGNRMZYDNNQ-UHFFFAOYSA-N 468.048 2.825 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740716882 COGJLMJXRZDHQN-AQNXPRMDSA-N 491.658 2.958 30 10 JFEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740720166 QDQKMBAPDJFDDD-QHCPKHFHSA-N 474.719 2.608 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1740733477 FRODMLBMNLPARP-HSZRJFAPSA-N 470.599 2.740 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1740758171 ZNFGISBFIPQQIG-VGOFRKELSA-N 490.004 2.883 30 10 JFEE 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CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccccc1C(=O)O 2330738598 HIXNOADYTIXCCJ-UHFFFAOYSA-N 466.523 2.534 30 10 JFEE CCCOC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331161983 DUKIFCBAXCYUJJ-UHFFFAOYSA-N 475.405 2.904 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2359271418 ITFQFUIYIPUCQB-BQFCYCMXSA-N 457.380 2.756 30 10 JFEE CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C#N)c2)C1 15864483 UEBNRXGWNWJSLV-KRWDZBQOSA-N 458.540 2.719 30 10 JFEE C=CCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)s1 20917460 RDFNBQTWTPFGQI-DJKKODMXSA-N 461.602 2.607 30 10 JFEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(Br)cc3)n2N)cn1 20920424 JOXMDCDFDVDRPY-IFRROFPPSA-N 478.380 2.709 30 10 JFEE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@@]21C 38250528 FBMHNHAHWIHHDH-GSLJADNHSA-N 483.399 2.870 30 10 JFEE CCCCCCCCS(=O)(=O)N1CCC(C(=O)NCCNC(=O)c2ccccc2)CC1 103013395 MHJDJMQXUOBYNU-UHFFFAOYSA-N 451.633 2.935 30 10 JFEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccncc2)s1 170359192 TUEHQAIOEPVODG-QGZVFWFLSA-N 470.532 2.585 30 10 JFEE C=CCOc1ccccc1OCC(=O)Nc1nnc(CCN2C(=O)c3ccccc3C2=O)s1 170532609 URCVHIMHUKMVDM-UHFFFAOYSA-N 464.503 2.959 30 10 JFEE C=CCN(C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)c1nc(C(=O)OCC)cs1 409817756 AITZTRQVANTFAH-UHFFFAOYSA-N 493.607 2.736 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)CC1 523842458 BXBMUDZTBXPRHJ-BWAGFHJFSA-N 473.017 2.560 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 609113217 TYTFKBGJFLKEDP-GOSISDBHSA-N 461.544 2.550 30 10 JFEE C=CCC1(O)CN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757503008 NLFJIORFNADTRM-OAQYLSRUSA-N 450.491 2.518 30 10 JFEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3c(C)n[nH]c3C)C(=O)[C@]12C 1075950991 WUDVWBJQILZGKX-SKELBMGJSA-N 451.479 2.698 30 10 JFEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)n2N)c(C)c1 1083892771 WDSYTRORQHVBDA-UHFFFAOYSA-N 469.527 2.605 30 10 JFEE CSc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(N(C)C)cc2)n1N 1084016761 YQSHVZPRBBWRCO-UHFFFAOYSA-N 456.601 2.957 30 10 JFEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc1OC 1084090533 LTTLZBDZKXDZIX-UHFFFAOYSA-N 477.497 2.854 30 10 JFEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)c1ccc(F)cc1 1141325866 XJQUIJBKNYUUCD-ZWKOTPCHSA-N 450.557 2.917 30 10 JFEE C=CCC1(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCOCC1 1265123460 HMSVBBGEUHUMKU-UHFFFAOYSA-N 451.361 2.872 30 10 JFEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286319658 QDBQLMXQYYQWBB-UHFFFAOYSA-N 453.522 2.739 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1286387324 CQSQJBRUNLXFLX-FQEVSTJZSA-N 498.996 2.627 30 10 JFEE C#CCN(c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286392666 MPVJPBXPKLAJBY-IBGZPJMESA-N 495.045 2.649 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1286425150 VRCDAYQFYUXGFC-UHFFFAOYSA-N 472.549 2.746 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCCCC1 1286438799 HZCUETPSYLZCSI-UHFFFAOYSA-N 455.566 2.996 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCC(=O)N(CC)CC)CC1 1286483496 NIFZEVYESBRMKO-UHFFFAOYSA-N 461.614 2.754 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1286485877 BKGFNYQYPKEUGA-UHFFFAOYSA-N 492.668 2.546 30 10 JFEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286499115 OFCZJMVOWKEDHB-UHFFFAOYSA-N 473.624 2.823 30 10 JFEE C#CCSCCn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@@]1(OC(C)C)CCOC1 1286510080 HWRVTQLWBOQKGA-JOCHJYFZSA-N 464.632 2.807 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1286518034 YFWADKYQTUWPLB-SJKOYZFVSA-N 472.434 2.753 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)F 1286527194 DLFAKNTUMRQJGS-HXUWFJFHSA-N 482.329 2.993 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(Br)c2C1 1286600480 NXJAWWCCGLEVIP-HNNXBMFYSA-N 498.447 2.806 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286626042 NLMAKASPDLBPKW-QGZVFWFLSA-N 488.976 2.966 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1286745467 WKRHFCIYZLHVJE-MSOLQXFVSA-N 493.605 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1286822808 HSDPZSGFQRCDCL-UHFFFAOYSA-N 466.579 2.991 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286827239 HVGQRCMCKBRBQO-JOCHJYFZSA-N 451.644 2.952 30 10 JFEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)C)CC1 1286827541 SJQIZGYYSMCJFS-UHFFFAOYSA-N 453.620 2.761 30 10 JFEE CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)c1 1291790659 CIYBRQIRVVAQMY-UTKZUKDTSA-N 463.586 2.936 30 10 JFEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)N1CCCC1 1292160757 CMOGCYRJRANJCZ-VXKWHMMOSA-N 465.602 2.740 30 10 JFEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1293068390 FZQXNHHALOSXEU-XMMPIXPASA-N 465.646 2.781 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1298326975 GSKULDBLCIUDAE-SFHVURJKSA-N 467.480 2.824 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300483301 KKRZLJHTWROPHJ-LZLYRXPVSA-N 462.641 2.793 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300491727 IHMJCHMDHZDMRM-QGZVFWFLSA-N 487.532 2.632 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300511625 MSLOVNSOWNYMJD-FQEVSTJZSA-N 486.580 2.536 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(OC)nc2ccccc12 1300674632 ATHPNQUNAXNLNS-UHFFFAOYSA-N 459.554 2.831 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC[C@H]2CCCCO2)CC1 1300710101 SCBPPZDXRKWOAT-OAQYLSRUSA-N 453.587 2.970 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC(F)(F)F)CC1 1300766378 AZCDEGZEAQQQLR-UHFFFAOYSA-N 477.560 2.957 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300879969 GHDYSPWKHULWHG-XMSQKQJNSA-N 489.642 2.795 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300944973 LMPGKPASSCMPST-GOSISDBHSA-N 480.573 2.851 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1301043889 FEPGNHWJGWGUSH-INIZCTEOSA-N 491.948 2.601 30 10 JFEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1301069352 CTAQJVHDEHOPAI-OAHLLOKOSA-N 463.380 2.687 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1301151889 RZQPYSQXXXBYMN-IBGZPJMESA-N 465.595 2.989 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1301188903 PLKIOWPNXOKUPM-OALUTQOASA-N 452.621 2.558 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1cc(Br)cn1 1301286119 BDYZMDDIPCCFTK-UHFFFAOYSA-N 493.435 2.910 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1301335116 WFFFUYVNTJRMEM-UHFFFAOYSA-N 478.553 2.668 30 10 JFEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301454396 VIAOJPLVGKSZQW-QAPCUYQASA-N 465.558 2.727 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301529817 QLZMRCUMVFUACA-HXUWFJFHSA-N 466.586 2.583 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1 1301592862 FIYZLYLBABYRSN-UHFFFAOYSA-N 489.425 2.973 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301612963 SHSXIIIRSCJBOR-OAHLLOKOSA-N 471.052 2.791 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1302313545 CBBJTQGPZDKCRJ-UHFFFAOYSA-N 497.600 2.891 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1 1310130423 BNDHCNBJFUNTAP-OAHLLOKOSA-N 455.544 2.864 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2cnn(CCOC)c2)c1 1358902634 UUVRPQXJVREZFO-UHFFFAOYSA-N 484.564 2.596 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](OC)C(C)(C)C)c1 1358903483 YJLUUTVBVUYNGT-FQEVSTJZSA-N 466.586 2.518 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1358929376 YRZILHJJNQPZPO-QZTJIDSGSA-N 467.636 2.675 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1358959504 KGDJRTKYWDWGNC-FQEVSTJZSA-N 478.578 2.741 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1358959868 RFPVSVBGKARZTG-FQEVSTJZSA-N 485.997 2.815 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@@](C)(CC)O1 1359023133 ARPAYUJCJYILGT-AVRWGWEMSA-N 464.570 2.626 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359048445 QWGOINJYFFTYPS-OAQYLSRUSA-N 482.654 2.672 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359062934 YOHMMAXUYMDIOL-GOSISDBHSA-N 461.538 2.737 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC 1359103818 TXANPDKABMRYAB-WPYKKVEZSA-N 453.587 2.768 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359183259 HEXJBIBMVVTKPU-FPOVZHCZSA-N 494.644 2.517 30 10 JFEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359225304 TXDRGOLSCYIZCE-UHFFFAOYSA-N 470.593 2.811 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCC[C@@H]1C 1359256681 MZSIUTMDFKEKQE-SNYIIPAISA-N 469.611 2.796 30 10 JFEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)c1ccccc1 1437075067 VXXRGFJLMFYOPW-KNQAVFIVSA-N 453.564 2.561 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CC1 1448349210 HISWAMHGLGBBTH-UHFFFAOYSA-N 457.527 2.537 30 10 JFEE C#C[C@H](NC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(Br)cc1 1450273022 NJNRYFLXABIWQV-MAUKXSAKSA-N 457.246 2.871 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 1464308654 FEMGFYOVJLQBMS-FGZHOGPDSA-N 456.502 2.657 30 10 JFEE C#C[C@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)c1ccc(Cl)cc1F 1467934927 GSMHKLNAUMDYPR-ICSRJNTNSA-N 454.889 2.819 30 10 JFEE C#CCOc1ccccc1NC(=O)N1CCC(n2nncc2I)CC1 1476429792 NUVUCENXOLPWQH-UHFFFAOYSA-N 451.268 2.764 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CCOC1 1502681177 DAQICQGCOQHMJN-DHIUTWEWSA-N 478.569 2.772 30 10 JFEE COc1cccc(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1504320705 DRLCWXFNGDYEMP-SFHVURJKSA-N 457.600 2.907 30 10 JFEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507561393 BAAXCSRDYIERQG-UHFFFAOYSA-N 480.613 2.510 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)c1ccccc1 1507605014 OYPBTPSZZZPMFO-QHCPKHFHSA-N 452.584 2.524 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 1507622102 FXMYPDYCLSMPMY-ROUUACIJSA-N 454.600 2.927 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1507627565 DTQNAFRKKBGRRV-QGZVFWFLSA-N 464.035 2.813 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnc2n1CCC2 1507680691 KTMCOMUGTLMXEY-UHFFFAOYSA-N 456.348 2.762 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(C)CCCO2)CC1 1507739498 BTUIZGVFBYPGGK-XMMPIXPASA-N 455.534 2.531 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)cc1 1507766247 YUFOEUZWWXARGK-CJFMBICVSA-N 453.587 2.879 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507790983 GLOOUUSYLGOQNY-XHSDSOJGSA-N 472.384 2.626 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1507792717 ACOOFJUIGQVMQF-DENIHFKCSA-N 490.626 2.959 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507799098 QIYOBEXTVBWKIY-FUDKSRODSA-N 472.678 2.981 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 1507808416 QRGJODWLCXPCJS-RDPSFJRHSA-N 464.570 2.769 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1)c1ccccc1 1507853219 BFYMFXOYFVQPIT-OAHLLOKOSA-N 495.531 2.837 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2csc(C)n2)CC1 1507874970 YMJDGUSXIQFBJU-WMZOPIPTSA-N 453.012 2.842 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(C)C)CC1 1508144688 WUDCGZLZQXAYJC-UHFFFAOYSA-N 465.645 2.743 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)c1cccs1 1509683163 HKJHFZMISPAWTE-KRWDZBQOSA-N 493.641 2.832 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccc2F)n1CC(C)(C)CN(C)C 1512364074 BZSROAREXHRXBO-IBGZPJMESA-N 491.619 2.973 30 10 JFEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 1518201744 CMFHGWPIZUBSBB-RUZDIDTESA-N 469.609 2.540 30 10 JFEE N#Cc1cccc(-n2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(Br)cc3)n2)c1 1518943611 AKHCSDLHUYMOHB-IBGZPJMESA-N 450.296 2.820 30 10 JFEE N#Cc1ncn(CCNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 1520763817 HXXUTLREMIEHOR-UHFFFAOYSA-N 453.300 2.523 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1538975636 ATWIWEJPWBZKCD-CJFMBICVSA-N 453.587 2.662 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(CC)S(C)(=O)=O 1538985747 CRXGUYHBTBRXRG-OAHLLOKOSA-N 453.996 2.737 30 10 JFEE C#CCCCn1c(N2CCC(S(=O)(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1539140100 LNMWKXGOQCQZDB-DEOSSOPVSA-N 472.611 2.786 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1539213149 WMUUAFYKDYEAKS-LJQANCHMSA-N 493.427 2.927 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1539216782 XDTSEWVEQVQARW-GOSISDBHSA-N 470.624 2.591 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1539229722 HOXMJEAHLTZOCA-BHIYHBOVSA-N 464.538 2.761 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1539323655 ICGIIBMKHDLEKH-SFHVURJKSA-N 480.512 2.633 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCCC1(C)C 1539416439 OESWSPIFHRQXRG-UQBPGWFLSA-N 491.633 2.614 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCN(C)[C@H](C)CC)CC1 1539445966 MCIUHUIUENPMPP-OAQYLSRUSA-N 490.656 2.551 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@](C)(CC)C1 1539495960 ACKJWGGVHAZRMW-JOCHJYFZSA-N 476.672 2.918 30 10 JFEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539512681 GAVSPGHMNUOXLG-QGZVFWFLSA-N 457.625 2.817 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H](C)C(=O)NC 1539621743 BNQKJEULWXJZFD-FVJLSDCUSA-N 457.575 2.762 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F 1539631836 NWJATJRVVHYMQU-LQWHRVPQSA-N 478.590 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539640631 JEXRANCFJKNUDH-NMMYMHLASA-N 462.591 2.689 30 10 JFEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1539688834 QROUAEJSQXTKGW-OAHLLOKOSA-N 452.328 2.764 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1539705093 OHJCICJGCPJJSF-SFHVURJKSA-N 481.644 2.554 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)c2ccco2)CC1 1539849331 WJYYKBIOBABOTB-GOSISDBHSA-N 486.573 2.766 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1539890659 ROZHSOOTWTUIRJ-SFHVURJKSA-N 475.581 2.857 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1540077113 HOHJUCNPGDCKIN-IAGOWNOFSA-N 450.584 2.514 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CCC)C1 1540890868 LDKOZKBIGMEEGB-RDPSFJRHSA-N 455.607 2.785 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C 1540901587 IWTXZNUHYIMEHG-KRWDZBQOSA-N 470.599 2.655 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2(O)CCOCC2)CC1 1541200351 DRHTXQMJNITTPA-QHCPKHFHSA-N 492.596 2.766 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1541232218 DKBSYOKJCHFHBC-NRFANRHFSA-N 486.642 2.931 30 10 JFEE CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1)OC 1545769485 BQWORYAVVBJXCW-UHFFFAOYSA-N 484.605 2.685 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(C)cc1OC 1548174305 AGRLNLPNZRUYJC-SFHVURJKSA-N 462.558 2.557 30 10 JFEE COCCNC(=O)[C@@H]1CN(C(=O)C2CCCC2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368153 YSRCKRRLGVNLQP-IBGZPJMESA-N 452.477 2.547 30 10 JFEE CCNC(=O)[C@@H]1CN(S(=O)(=O)CC)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548397056 IXIDWXKOPDMWCY-RBUKOAKNSA-N 486.560 2.827 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)C1 1565346470 QHNLRATWWLMHMB-PKOBYXMFSA-N 451.352 2.963 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H](C)CS(C)(=O)=O 1587818280 TXELWPYFRACUQT-CQSZACIVSA-N 469.405 2.999 30 10 JFEE C#CCCCn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1587894086 NUVINLSSKMPRRN-YADARESESA-N 471.606 2.561 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587926664 CSUBNBGEDAZMJE-HKUYNNGSSA-N 479.553 2.820 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588035320 RMBNVHIBIQVZPG-IBGZPJMESA-N 494.459 2.675 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588040452 NDCATOPEFHMILP-QGZVFWFLSA-N 477.015 2.628 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588053354 CYZPNUDTEFQOQU-FCEUIQTBSA-N 456.612 2.993 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nc2c(s1)CCCC2 1588185538 IIGWOKXVHIFWBR-XMMPIXPASA-N 453.612 2.971 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(S(C)(=O)=O)cc1 1588276490 NOKBUVLZEACOBB-UHFFFAOYSA-N 476.400 2.957 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(OC)c2)CC1 1588923974 SGYBQQSCMQZUNM-UHFFFAOYSA-N 458.566 2.866 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1588929542 CNWIPUQQBBDRHR-VXKWHMMOSA-N 458.651 2.852 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1593729899 QXQQULPSQQSUMO-UHFFFAOYSA-N 455.607 2.937 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593764110 XYDHPZZONFYTSG-XMMPIXPASA-N 496.656 2.809 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1593800493 PNSQGIAITUBAPK-INIZCTEOSA-N 453.012 2.740 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1594680521 UBFTVKFJCHKQIP-KRWDZBQOSA-N 457.600 2.880 30 10 JFEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CCC)C(=O)C1 1594733764 YFLSKTNLYNZBHM-UHFFFAOYSA-N 452.607 2.867 30 10 JFEE 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C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC1CCCC1 1358978898 XQVWQQBGTYLJPL-FQEVSTJZSA-N 452.580 2.623 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)noc1C 1359015476 VFAVUDFHVKJZME-OAHLLOKOSA-N 474.562 2.574 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1359020174 ULEOCVLVBJTDFS-PMACEKPBSA-N 473.643 2.555 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nc(C(C)C)cs2)CC1 1359048330 MOMGMPRBMQEKJA-RXVVDRJESA-N 486.642 2.596 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359052316 ASXAXIFMBYFIBW-LJQANCHMSA-N 457.600 2.824 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1359066768 OKGUMRVRYUNBPY-UXHICEINSA-N 469.394 2.794 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359097859 UUOUDXBOSXXZJC-OFNKIYASSA-N 469.634 2.635 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359137147 GMHHZXDGVQPMAU-LNRXMEIDSA-N 461.651 2.946 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359207369 IQOJJZVAXFZKIM-UHFFFAOYSA-N 488.596 2.934 30 10 JFEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1359215457 BVGZPGOENWXCEU-RBUKOAKNSA-N 459.595 2.941 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1359260734 MTIHOWBBWDHGEM-HXUWFJFHSA-N 498.584 2.914 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359285386 DIKBUDIZOFEFPJ-UHFFFAOYSA-N 458.994 2.928 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(F)F)C2)cc1 1359306659 NBKBHSKJZNKWOA-RDJZCZTQSA-N 469.558 2.983 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccc(Br)cc1 1359332571 BAIZIULBLLKRJH-QGZVFWFLSA-N 483.432 2.824 30 10 JFEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359344508 AEQZRQBCVAYCDQ-GOSISDBHSA-N 453.616 2.931 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1359375379 LAMURTPGTAAXET-QGZVFWFLSA-N 467.574 2.789 30 10 JFEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CC1 1455949074 WSNXBODFHXBNOL-UHFFFAOYSA-N 459.999 2.988 30 10 JFEE C=CCN(C(=O)c1nc2ncc(Br)cn2n1)[C@@H](Cc1ccccc1)C(=O)OCC 1458993323 BBUCVMXTCXQCFI-INIZCTEOSA-N 458.316 2.689 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1470007107 HKFYNRFVQYAIFN-DENIHFKCSA-N 458.584 2.540 30 10 JFEE C#C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccc(Br)cc1 1478895865 HBPAGSNNIRBAPV-KZNAEPCWSA-N 454.390 2.816 30 10 JFEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC2(COC)CCOCC2)cc1 1502867282 BAPNHIYUOBYEGA-SIKLNZKXSA-N 485.585 2.989 30 10 JFEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](CC)N1CCCC1 1503112269 BPGKVWHTXLAFCW-HSZRJFAPSA-N 451.619 2.883 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507581594 WPLNLOLNNWWHHB-HYBUGGRVSA-N 494.640 2.755 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507627338 RYDTWSADJSVBPW-IBGZPJMESA-N 494.564 2.990 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1507631564 FJXJUKAMXBFEEF-MRXNPFEDSA-N 452.502 2.832 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1507722568 AGXCCOBZFFFUGM-KBMIEXCESA-N 453.587 2.659 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1507737981 FKSDHXPXJZURAF-VXKWHMMOSA-N 482.629 2.814 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507749365 UWGJPHCWZLFNJJ-UHFFFAOYSA-N 474.550 2.813 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1507765645 UDIGBNLLROPFJY-GAJHUEQPSA-N 472.615 2.645 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1507792211 XNYBNQJRYHZLCN-NHCUHLMSSA-N 472.634 2.579 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)COC)CC1 1507799487 WQLCQYTUHSJZSU-PGRDOPGGSA-N 484.557 2.566 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507838546 DIKKSJOGIZHQIE-APWZRJJASA-N 479.423 2.785 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1507895621 BFZKLOANOVWGHF-XLIONFOSSA-N 452.669 2.801 30 10 JFEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507956671 QYEKTIGFRCDSNY-IBGZPJMESA-N 463.579 2.967 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1507973071 QMTJGUPSTDYGGT-WCAVRKLYSA-N 459.616 2.759 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)C(C)(C)C 1508006031 GMPLNGGUXYVZQQ-UHFFFAOYSA-N 453.634 2.884 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3nc(CC)cs3)C2)nnc1[C@]1(OCC)CCOC1 1508099500 ZRCZDAVIOMLNOI-SBUREZEXSA-N 474.631 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2CCOC2)CC1 1508142720 BDAQXBQPXMFTMK-NRFANRHFSA-N 474.627 2.731 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1508147305 IMHNUZFCLUSTFY-BQVMBCESSA-N 466.629 2.665 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508150065 ZFOVITKVYULXHY-QZTJIDSGSA-N 478.596 2.594 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OCC)CC1 1508161187 YDPJVEKUOUUYFH-GOSISDBHSA-N 456.616 2.874 30 10 JFEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)C1CC1 1510080818 GTYQTBNUXXRPHF-GCJKJVERSA-N 486.642 2.615 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1513014791 CXPPQKVDQLOJOO-UFYCRDLUSA-N 497.692 2.920 30 10 JFEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1514028639 AETRGGDKGIETIK-NHCUHLMSSA-N 466.586 2.850 30 10 JFEE CN(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1517152766 FUBMCMKGYPJFKQ-UHFFFAOYSA-N 450.543 2.805 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1517708704 BTCMMWBWBTZNBR-NRFANRHFSA-N 451.575 2.826 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC(OC)CC2)C[C@H](C)O1 1518914076 GKAYSHUAGFTFGP-CVDCTZTESA-N 482.629 2.946 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2ccsc2)c1 1539045650 GZPKRWDVRSBUKV-UHFFFAOYSA-N 462.579 2.761 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1539094406 PLEPXHLNBHLXGL-RBUKOAKNSA-N 484.626 2.550 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539126464 VSLQHLMRJDWHRZ-JOCHJYFZSA-N 485.654 2.891 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539134621 ZTYGQVPZIVNDSZ-HXUWFJFHSA-N 470.961 2.691 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1539220460 SMJRZBNDPHVOQH-SFHVURJKSA-N 491.608 2.648 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCN1CCN(CC)CC1 1539245878 LPOLOJTYYXPEPN-UHFFFAOYSA-N 499.457 2.817 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(C)(F)F)CC1 1539474568 UJORQGSBDSWOBQ-UHFFFAOYSA-N 461.513 2.973 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1539517396 NCQHJRMKZPUOFN-SJLPKXTDSA-N 495.575 2.975 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539527204 XFQRMLVLXPUOQK-HSZRJFAPSA-N 459.591 2.664 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539613532 YZBAIRSHVOMXNK-RCCFBDPRSA-N 462.595 2.501 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539918082 JSDTXVJVMCYLGF-HBMCJLEFSA-N 457.667 2.826 30 10 JFEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)CC1 1539971782 SLTFDKADEHEEEE-UHFFFAOYSA-N 465.646 2.668 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540020298 SQOHYPWLQFWRGG-XMMPIXPASA-N 452.559 2.599 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC)C1CC1 1540110034 YBFSLWQRPNJTJP-AUMHUTNHSA-N 453.609 2.510 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1540170519 OUCJZKUBIRYXED-NRFANRHFSA-N 452.584 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1540901740 NPZXSNRRPPSXNO-JOCHJYFZSA-N 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30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)(C)C)CC1 1749003993 BWCCEKPZNGNKOW-SFHVURJKSA-N 498.603 2.828 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1749008599 FAAWLGBCBAIKKT-GOSISDBHSA-N 462.598 2.698 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749207966 WKCNACCZIYYLRV-KRWDZBQOSA-N 465.645 2.921 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1749226525 RQIMQMCKAXMZDR-FGZHOGPDSA-N 452.603 2.923 30 10 JFEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 1749246196 HYQBPVQHXLKOPO-OAQYLSRUSA-N 466.611 2.743 30 10 JFEE C=CCC(C)(C)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1749377698 ZHBNKYSNPVEXET-BWKNWUBXSA-N 460.667 2.749 30 10 JFEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1749452344 WQAJRBQYGKQSBS-UHFFFAOYSA-N 482.610 2.834 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 1749457052 FHYJEZDIHYYCDC-RTBURBONSA-N 465.595 2.794 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1749651965 DFKZFLVQYOGOOO-QGZVFWFLSA-N 467.549 2.977 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3ccc(OCC)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681951 LDXZAPDAYIXMQJ-RUZDIDTESA-N 469.586 2.582 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1749721476 LAYDWRABTHGHHZ-CVEARBPZSA-N 466.007 2.697 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCC2(CCOCC2)C1 1749726964 LNOGHNXRHUEVCW-UHFFFAOYSA-N 460.600 2.952 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1749735460 UAJQCSZVVQUVAY-QGZVFWFLSA-N 469.405 2.782 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749740849 KPPHXIFIAYOSTA-VNTMZGSJSA-N 466.648 2.660 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H](C(F)F)N1CCOCC1 1760108333 WOCQXUTUBYFAMG-SJLPKXTDSA-N 461.513 2.530 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1760182178 HPSJZJHIRYVNHA-OFNKIYASSA-N 469.655 2.867 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760182419 FQGOSHPORKCOGI-MRXNPFEDSA-N 471.461 2.823 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1760190386 PXFBSOAHTQQKKD-DENIHFKCSA-N 462.641 2.607 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)NCCC)c1 1760205775 JJJUDYQVSQRLNY-UHFFFAOYSA-N 496.619 2.713 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC1CCOCC1 1760212981 LIPQCTJITYPGAC-UHFFFAOYSA-N 483.638 2.865 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccccc1)N1CCOCC1 1760239177 YRDCDRNBMVADIJ-ZRBLBEILSA-N 453.587 2.535 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2OC(F)F)CC1 1760262536 PJFCYOYOKADUOB-UHFFFAOYSA-N 452.509 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCOc2ncccc2F)CC1 1760271421 XLMHDOWTIKVKGU-UHFFFAOYSA-N 492.555 2.744 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1760279162 SVFHCJIOZFCYKS-UHFFFAOYSA-N 467.599 2.654 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1760281107 XYHXHUYONBCWCB-UHFFFAOYSA-N 460.607 2.906 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1760281251 PLTRMCVBYTVFSY-QZTJIDSGSA-N 477.537 2.775 30 10 JFEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760311114 RNQJZHLNDPKPCJ-XLIONFOSSA-N 476.419 2.965 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1760322034 NCGKFXMGEDIZPA-WFXMLNOXSA-N 459.595 2.624 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC(N)=O 1760356602 RLWQZBUBFZQMGN-QZTJIDSGSA-N 464.611 2.685 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1760411083 BKISVJONBZEHQN-LJQANCHMSA-N 479.629 2.951 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760415080 NVXAHABNUXLLQK-INIZCTEOSA-N 465.645 2.885 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCN(CC)CC1 1760454709 PNJLQHWCZLCIHD-MRXNPFEDSA-N 450.429 2.932 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1760495595 RYJWQFOYLOGINE-HXUWFJFHSA-N 484.601 2.820 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C 1760497883 VZECOZGGNPCVDC-FQEVSTJZSA-N 450.587 2.664 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760516710 TYFGNLKAMQHCAH-SFHVURJKSA-N 484.576 2.698 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccn2)CC1 1760775722 HDZPGCLWVKZIHA-FQEVSTJZSA-N 467.574 2.759 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1760809375 GEOBLBLVDUCQTN-HMXCVIKNSA-N 487.626 2.789 30 10 JFEE Cc1ncc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)s1 1762341455 GLUYSZZXAQOMBU-QGZVFWFLSA-N 450.616 2.854 30 10 JFEE Cc1noc([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)(F)F)C2)n1 1762668691 GDVUQYYHEUUSTN-INIZCTEOSA-N 474.447 2.571 30 10 JFEE Cn1nncc1Cn1c(COc2ccc(Br)cc2)nnc1N(CCC#N)CC1CC1 1767535147 FBIFFUWGXYPPTE-UHFFFAOYSA-N 471.363 2.926 30 10 JFEE 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCC1CC(OC(C)(C)C)C1 1611676702 BGZZHWAGWFQJLL-FAEJEUNOSA-N 452.625 2.612 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1616149271 GPFYZDHWFICYGA-QHCPKHFHSA-N 475.615 2.652 30 10 JFEE CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1617394151 BZUZGELRTFMAOT-UHFFFAOYSA-N 456.616 2.971 30 10 JFEE CN(C)C(=O)CCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(C#N)cc1 1617588628 HEYYPIBVHHQTMJ-UHFFFAOYSA-N 456.554 2.893 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCNC(=O)C1 1618013769 MGJSWBQXILLLFO-NRFANRHFSA-N 453.926 2.995 30 10 JFEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CCCC1 1619052186 DREQBZUDOUTOJD-HXUWFJFHSA-N 486.642 2.884 30 10 JFEE C=CC[C@@H](C)NC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1629216437 RIZDDIVJYHIEIZ-SNVBAGLBSA-N 454.184 2.961 30 10 JFEE C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1C 1630477289 AZCRJMARQULQDF-MRXNPFEDSA-N 454.552 2.898 30 10 JFEE 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2.864 30 10 JFEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760512164 KANOGCSNCCYSCR-OAQYLSRUSA-N 467.618 2.544 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](OCCOC)C1 1760518636 YFSHWSNTGAPHAU-OAHLLOKOSA-N 454.358 2.796 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1760522747 DBFTVDGYFAHEIZ-IBGZPJMESA-N 461.570 2.674 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1761362511 CQMLHKFCKCYGAX-RBUKOAKNSA-N 457.600 2.667 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)N(C)C)C1 1767251736 CFAQGCVOIGILKR-PKTZIBPZSA-N 499.685 2.845 30 10 JFEE CN(C)C(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)CCCC1 1768425019 HSHZRHMDABIFTI-UHFFFAOYSA-N 463.586 2.671 30 10 JFEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1769283641 BEHWUOJITUTCEU-UHFFFAOYSA-N 453.934 2.907 30 10 JFEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CCCCC1 1769338287 CAZYAIYASLCWME-LJQANCHMSA-N 466.586 2.993 30 10 JFEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(F)(F)F)c2)C1 1770727229 DZNXCLSTMNPISI-HNAYVOBHSA-N 487.479 2.612 30 10 JFEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862180919 LHEMPJLHBJJWOY-PZJWPPBQSA-N 455.555 2.702 30 10 JFEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862695551 GUOZEAFBHAUGNL-JOCHJYFZSA-N 468.506 2.817 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1864322922 YFHDCKRHFDBOIN-SWLSCSKDSA-N 466.460 2.678 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1cc(OC)c(OC)cc1OC 1864871943 UXIYGZGIBWFAIU-OAHLLOKOSA-N 482.459 2.944 30 10 JFEE N#Cc1ccccc1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 1866863424 VGAGTUOVCVLRGV-YKSBVNFPSA-N 468.513 2.983 30 10 JFEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc(N3CCCC3)cc2)CC1 1866866474 IBXRTMHLXUGOKE-VXKWHMMOSA-N 481.622 2.741 30 10 JFEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1 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AXQNXQUCKMEPAU-BHGWPJFGSA-N 468.539 2.550 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)O1 1879448615 KDJRYDBYOULJSZ-AVEIZBFRSA-N 450.385 2.999 30 10 JFEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)cc2)CC1 1890105595 PSZCMTOQIOTSGS-FQEVSTJZSA-N 454.552 2.667 30 10 JFEE C=CC[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 2068520572 XTOGVCDWIDGXGD-LPQMJJIASA-N 453.580 2.865 30 10 JFEE CO[C@@H]1CCN(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 2127463563 CFZVPVUJJKEMED-IGKNDFSCSA-N 450.385 2.809 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 2132277719 PQTIYFKZYOMFAN-OAGGEKHMSA-N 468.551 2.542 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F 2180985417 PFROJWYVVPGLBH-CYBMUJFWSA-N 474.289 2.902 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCN)Cc3ccccc3)c(Cl)c2)OC1(C)C 2247949909 BDMCSSPGKRAOAT-UHFFFAOYSA-N 450.797 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CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]21 2267537935 KLNHVAZQPMKODA-GBJTYRQASA-N 463.409 2.864 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267538823 OGEHXOXHDOVADZ-FPTDNZKUSA-N 463.409 2.819 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2267540865 ZVVYVLXTSMXIBG-WOJBJXKFSA-N 482.390 2.732 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267584449 GPRGALJCJQMFAU-STQMWFEESA-N 486.827 2.801 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2268636519 DTJZRGVBXKAONO-OAHLLOKOSA-N 465.425 3.000 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1 2281277184 ZUGOSRUHSJJNBX-ULMXKDBMSA-N 477.602 2.968 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1 2281798454 IMJUSZVSTXKEGG-RUZDIDTESA-N 454.376 2.644 30 10 JFEE 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Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCCCOCCNC(=O)OC(C)(C)C)c1 2282126189 HAXNYMWVPTYNGH-UHFFFAOYSA-N 462.396 2.955 30 10 JFEE Cc1ccc(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282127146 UGWYPKSHUONEFU-MOPGFXCFSA-N 460.380 2.706 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CCCC1 2282175854 YXZYOLOXGASAMW-QGZVFWFLSA-N 460.384 2.589 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282354686 UHLAMFHOKRAEQT-MIRVZWSXSA-N 484.399 2.660 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2282473124 HGHBMXSXWSVFNX-ZDUSSCGKSA-N 458.261 2.656 30 10 JFEE Cn1cc(C(=O)NCC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282549252 HQTUJCXIIJQAQD-HZPDHXFCSA-N 462.400 2.533 30 10 JFEE Cc1ccnc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2282569290 PFMWBFHEYQGCAD-INIZCTEOSA-N 457.380 2.819 30 10 JFEE CC[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 2282584892 XIYAYABQJPBGNW-DOTOQJQBSA-N 462.400 2.817 30 10 JFEE CCN(C(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2282593691 ULHCUTBWJZPQGO-HXUWFJFHSA-N 452.408 2.939 30 10 JFEE Cc1csc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282606960 HKXNOXDOTJZVPZ-CVEARBPZSA-N 480.436 2.703 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 2282683180 ZLOBUCFNKOHNEI-IBGZPJMESA-N 455.364 2.879 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C 2282684005 LETAVOHNVIFDJI-NJHFVCTFSA-N 483.440 2.958 30 10 JFEE Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282825463 JSZSDHJTHSJSEN-WAIKUNEKSA-N 478.420 2.582 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)NCCc3nccn3Cc3ccccc3)cc2)OC1(C)C 2282862874 JQPUXJFINFUYOE-UHFFFAOYSA-N 467.400 2.752 30 10 JFEE CC(C)(C)OC(=O)N1CC(CCNS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282871963 ODNYYFMTFWEPGK-UHFFFAOYSA-N 480.436 2.662 30 10 JFEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)CN(C)C(=O)OC(C)(C)C 2282991630 IHFXMDRDPOEDHA-AWEZNQCLSA-N 464.368 2.630 30 10 JFEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2283926492 ORTSAHSOCJLZGQ-WBVHZDCISA-N 480.436 2.936 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2283966454 VHVYHMXANSANND-RDTXWAMCSA-N 464.343 2.993 30 10 JFEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 2283986958 ULDPAQXOJJVNEM-UHFFFAOYSA-N 461.368 2.641 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2283991286 QBHRYYUAGDGOHE-ZFWWWQNUSA-N 481.786 2.903 30 10 JFEE Cc1nc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ncc1B1OC(C)(C)C(C)(C)O1 2284017152 DDQZSNXLKCHPCI-GDBMZVCRSA-N 460.384 2.916 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284045128 JFHDWPCGWJMUGB-XMMPIXPASA-N 460.380 2.913 30 10 JFEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2284059632 HUPNHVBJIDSUKC-CVEARBPZSA-N 480.436 2.854 30 10 JFEE CCOC1(C(=O)NCc2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2284060056 KNBDGOVBTQJPOA-UHFFFAOYSA-N 480.436 2.998 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2284069141 MOVHMIUBXFJNSJ-OWCLPIDISA-N 479.770 2.607 30 10 JFEE C[C@H](NC(=O)c1c[nH]nc1CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284120979 ZGKCTZMQDAKZKA-LBPRGKRZSA-N 477.396 2.681 30 10 JFEE Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2288266184 AJIHCMWTGISUIF-NYHFZMIOSA-N 498.476 2.891 30 10 JFEE COc1ccc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 2296182966 URUWEYYMEMDENE-MYYSRTQBSA-N 460.380 2.914 30 10 JFEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccncc1 2297056824 ZYIXAQDJTCIYDT-HXUWFJFHSA-N 454.527 2.577 30 10 JFEE COC(=O)c1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2N=Cc2ccc[nH]2)o1 2329022465 LACGPZYSKAQTDQ-CQSZACIVSA-N 456.528 2.885 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(Cl)ccc1O 2329034836 SSQPHCGHPGPNJI-CYBMUJFWSA-N 451.936 2.509 30 10 JFEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCC)ccc1OCC(=O)N(CC)CC 2330747843 UOGFIGVXQHECFC-UHFFFAOYSA-N 476.603 2.554 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330750173 WWEQFDHLJXZVNI-UHFFFAOYSA-N 497.537 2.758 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(N(C)C)cc1 2330793137 BXWNBWROBPINOX-QGZVFWFLSA-N 479.610 2.832 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337335239 WUZYLNTWCVRYMZ-FPTDNZKUSA-N 463.409 2.819 30 10 JFEE COc1[nH]c(=N[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339785143 OXIJYZCZLMUZCS-XLOAEROZSA-N 451.348 2.619 30 10 JFEE COc1nc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365378635 AUJUZXWGFIPOBC-HKUYNNGSSA-N 498.341 2.633 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2372000750 OLJDXPYJKQJVIJ-CMJOXMDJSA-N 463.359 2.958 30 10 JFEE N#CCn1c(COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O 13129371 TWPPKNIHXLXDNT-HSZRJFAPSA-N 492.491 2.871 30 10 JFEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)cc1 20805421 NGOHTJGFZZNIKK-AUEPDCJTSA-N 469.575 2.766 30 10 JFEE CC1(C)CC(NC(=O)CSc2nc(N/N=C/c3cccc([N+](=O)[O-])c3)n[nH]2)CC(C)(C)N1 20831842 CEMRJVIEROULNY-SRZZPIQSSA-N 460.564 2.676 30 10 JFEE CCOc1cc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O 136645528 JUQOMEWPRNYUEB-MYXKAAJQSA-N 496.560 2.944 30 10 JFEE C=CCN1C(=O)N[C@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@@H](C)C1 169679688 IVVABRFKSPXNQN-LAUBAEHRSA-N 489.642 2.942 30 10 JFEE C[C@@H]([C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C)[C@H](O)CCC(C)(C)O 257556551 UPEZCKBFRMILAV-FNYDCMAGSA-N 464.643 2.739 30 10 JFEE biogenic C=CCNC(=O)CNc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 504698456 FJYVYWVPVNYQDD-LJQANCHMSA-N 481.549 2.577 30 10 JFEE biogenic C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 518858577 ILPSKZQCMGXASO-UHFFFAOYSA-N 453.564 2.592 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1Cc1ccccc1 524411639 MJKZRAWNRPSOHH-UHFFFAOYSA-N 485.487 2.662 30 10 JFEE COc1ccc(OC)c(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)c1 586332070 CXFLXWGVSFKLLW-WJOKGBTCSA-N 461.565 2.842 30 10 JFEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729673130 UHSDJMWDUBBZTL-UHFFFAOYSA-N 462.600 2.980 30 10 JFEE N#C[C@@H](C(=O)CNC(=O)CC1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 749047356 GKXCKPWOMUZICQ-NRFANRHFSA-N 488.610 2.595 30 10 JFEE CC#CC[C@H](NC(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757215007 YKGXLKGOTUDZHB-VJBWXMMDSA-N 462.502 2.665 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)Nc1nccs1 1083887326 XMEDSMAMKMQQMN-UHFFFAOYSA-N 454.335 2.906 30 10 JFEE C=C(Cl)C[C@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OCC 1132192664 MVWROAODKRCZMS-HNNXBMFYSA-N 455.943 2.654 30 10 JFEE C=CCNC(=O)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 1152531991 ISFXCCGSEKXPOU-YKSBVNFPSA-N 451.523 2.607 30 10 JFEE Cc1ccc(-c2noc(CCCN3CCN(S(=O)(=O)c4ccc(C#N)s4)CC3)n2)cc1 1185335424 GVDQVFQWGJEFFV-UHFFFAOYSA-N 457.581 2.917 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1286288527 HPFQFPRBENHXND-IBGZPJMESA-N 477.613 2.805 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCCCC1=O 1286373128 BUHFTLFLGHSRGX-UHFFFAOYSA-N 458.607 2.865 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1286396586 WGBITTXLBYUOFU-HKUYNNGSSA-N 480.537 2.796 30 10 JFEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1286483249 DIZZRARMWJJMNY-OAQYLSRUSA-N 478.494 2.777 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1286484720 NNUKRXHATQLMNB-UHFFFAOYSA-N 464.614 2.712 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@H]2CC)CC1 1286495425 VGXBZKNMYUXBOR-YJMBLLCNSA-N 457.619 2.794 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCS(C)(=O)=O 1286534164 BWTIADMBUGJZKF-UHFFFAOYSA-N 463.785 2.997 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(=O)(=O)CC 1286557112 HEKGATRPCWPXKF-HRAATJIYSA-N 468.570 2.999 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286604127 FULRMMVIMPRDFL-LJQANCHMSA-N 490.406 2.950 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286664575 YSHRXCXHRQGOFR-RTBURBONSA-N 488.633 2.904 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1286670716 LXXKAMXKXLFNSA-QGZVFWFLSA-N 463.586 2.944 30 10 JFEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286698505 ADWRTMYFRSVYFQ-QZTJIDSGSA-N 467.636 2.982 30 10 JFEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286708920 IVRXORFDQMKRJZ-NRFANRHFSA-N 474.569 2.807 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1286765204 AHAQETOFXSXUDF-IBGZPJMESA-N 470.599 2.518 30 10 JFEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1286768988 MIZOLFWJSZQFBG-MRXNPFEDSA-N 470.640 2.548 30 10 JFEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286787626 XPMFSYZWXRXZGH-OAHLLOKOSA-N 461.492 2.801 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCOC2)C1 1286810468 ROGLXRSWYMNQBN-AQNXPRMDSA-N 477.606 2.794 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CCN1CC(F)(F)F 1291279026 HCCVJSMXNAZUIT-QFBILLFUSA-N 464.492 2.981 30 10 JFEE CCN(CC)C(=O)CCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1295307236 GWXGIUUCYDTNLQ-NRFANRHFSA-N 481.601 2.514 30 10 JFEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1295722023 HTFJNSGCCNPEHV-XZOQPEGZSA-N 479.629 2.765 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)n1 1297349832 JASKHESTCRHUAK-UHFFFAOYSA-N 458.975 2.826 30 10 JFEE CN(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1c(F)cccc1F 1298025768 FXPDDXAXCISYPI-PXNSSMCTSA-N 492.596 2.891 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2(O)CC(OCC)C2)c1 1300333708 BTBHLZWARPSRLH-UHFFFAOYSA-N 453.587 2.853 30 10 JFEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300413559 XXFNZURHAVGGOX-HXUWFJFHSA-N 462.019 2.940 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCOC(C)(C)C1 1300439703 GNEBJFZTVBFRTP-UHFFFAOYSA-N 462.392 2.896 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1OCCOC 1300465776 QCRXLCVABNSWRQ-HXUWFJFHSA-N 485.585 2.729 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1300496059 NJODRFHAKXALPF-BZSNNMDCSA-N 456.559 2.972 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC(F)(F)F)C1 1300528154 RBOFKTYTHWXEBL-GOSISDBHSA-N 497.525 2.632 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1300583428 HVPNKQREHPCOEM-JOCHJYFZSA-N 484.645 2.781 30 10 JFEE COc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1300618333 BWNHECWTZQSTOM-PKOBYXMFSA-N 473.599 2.786 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1300641449 GXSDHDPNGKKLBQ-OAQYLSRUSA-N 482.604 2.794 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(c2ccccc2OC)C1 1300643218 ZAXKYRKTBVYCDU-QTEQDKRBSA-N 453.587 2.997 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCc1n[nH]c(C)n1 1300654687 DTHLESPASRRVST-UHFFFAOYSA-N 462.327 2.602 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(CC)nn(C)c2CC)CC1 1300726767 PXWZBJQVTDKZFB-UHFFFAOYSA-N 491.615 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1300890908 ITCBUPJPDTXHMQ-GGAORHGYSA-N 452.603 2.896 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(N)=O)CCOCC2)CC1 1301112409 VHVXEPZDFDEHEB-UHFFFAOYSA-N 455.559 2.647 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1301189051 QQJWVBNDSSPADS-JOCHJYFZSA-N 485.654 2.736 30 10 JFEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1301467338 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481.560 2.980 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1359001647 ZMHVZGDPJCPNNO-VWLOTQADSA-N 453.587 2.663 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359011296 RUMBEANBWTVEBO-PZJWPPBQSA-N 459.591 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCCNC(=O)C(C)C)CC1 1359042991 BVSNDTQQKFOOPP-UHFFFAOYSA-N 487.608 2.621 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359060881 KDXSRQGSVNAKQQ-QFIPXVFZSA-N 460.625 2.547 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359128624 ZYNUUNMHPREDGV-GOSISDBHSA-N 498.447 2.818 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1359131615 ZOTTTZACJOTQIR-KRWDZBQOSA-N 456.572 2.929 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359141436 HAZZNYHFYOKDBG-GOSISDBHSA-N 486.020 2.689 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1359219628 XSTJGLQCUIZWEX-UHFFFAOYSA-N 468.577 2.787 30 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1589503142 BPSMZBLKVNXWSI-MDKPJZGXSA-N 455.559 2.610 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589742794 ZNEPCGRAVGBQTR-UHFFFAOYSA-N 481.420 2.518 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1593741556 RZFUMTXVXXTZHV-AQNXPRMDSA-N 479.622 2.835 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1594693149 RMJMJMZCYSTVLV-UHFFFAOYSA-N 467.599 2.740 30 10 JFEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1595377197 NPNMVDXHGQCUPL-INIZCTEOSA-N 453.996 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CC=CCC1 1595766035 KPHLGGDOLSIISZ-SFHVURJKSA-N 478.640 2.742 30 10 JFEE N#Cc1ccc(OC2CCC(NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)CC2)nc1 1596573574 HZBCKOXRIBDEIW-FYWRMAATSA-N 454.552 2.740 30 10 JFEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(=O)OC(C)(C)C)CCO1 1619733635 IAXNKIOWLPDVBO-HXUWFJFHSA-N 470.574 2.925 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)CC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)c1C 1634900202 CEJVCUIUFLIRHM-UHFFFAOYSA-N 450.499 2.558 30 10 JFEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCN(c4snc(C)c4C#N)CC3)c2)cc1 1641801495 CUJZNQPDIFBUCL-UHFFFAOYSA-N 455.565 2.633 30 10 JFEE N#C[C@H]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2Br)C1 1643327842 CWYZQSXRVZFQFS-CMPLNLGQSA-N 479.194 2.688 30 10 JFEE C=CCn1c(SCC(=O)N[C@H](C(=O)NC)c2ccccc2)nnc1-c1cccc(OC)c1 1652701548 SDFUCNQZFJALJY-FQEVSTJZSA-N 451.552 2.835 30 10 JFEE CC(C)(C)OC(=O)NC1(CO)CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 1654344458 DNWNPCISKSIGPW-QGZVFWFLSA-N 451.527 2.575 30 10 JFEE C#CC1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 1672413501 JZLORPNTPVNWSE-QGZVFWFLSA-N 454.390 2.657 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(CNC(=O)OC(C)(C)C)c3)CC2)c1C#N 1674329146 GOOCOBFQUMNYCV-UHFFFAOYSA-N 453.547 2.979 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1689984117 LLXLXHSYBCUCLJ-OKZBNKHCSA-N 462.547 2.510 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1689988613 SQPVGAUFIIWYTO-NRFANRHFSA-N 479.606 2.917 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689989765 IKMMAVZNRUGIII-VSKRKVRLSA-N 477.675 2.659 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689992022 GBZHGUOIGFUFAZ-WPYKKVEZSA-N 485.654 2.732 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1690044982 CUJDTAMZHIKAJC-FGZHOGPDSA-N 484.645 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(C)CCOCC2)CC1 1690148628 NKUIBSSSFCYGNQ-UHFFFAOYSA-N 453.562 2.791 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCSC[C@H]1C 1690158170 ZBVADHHLUMOJHT-OAHLLOKOSA-N 464.686 2.855 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690240156 CGPNBKPVKZZUJE-VGUOSERISA-N 460.962 2.940 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690307162 QVOGSWPSOUZJRJ-SFHVURJKSA-N 473.021 2.980 30 10 JFEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)NC)CC1 1690510639 ATZYCLBZWYRDGV-UHFFFAOYSA-N 493.406 2.674 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1690995115 DEBWNQXAHXTWNT-CQSZACIVSA-N 461.364 2.586 30 10 JFEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)N(C)C 1692720018 CGMNPBQKXRDLKB-OAHLLOKOSA-N 452.481 2.572 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(OCC(F)(F)F)nc1 1705476098 YPNZFLZNFDDAHZ-OAHLLOKOSA-N 473.459 2.962 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 1705517232 QYUSSQGKEUOODB-ICSRJNTNSA-N 451.637 2.820 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705539872 GBQYRSBTVQLBFJ-UNMCSNQZSA-N 451.571 2.814 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ccc(Cl)cn1 1705582694 HNVNWRUUKVHQQY-UHFFFAOYSA-N 476.972 2.652 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2Cl)CC1 1705645452 UVHOKIJPAROIBP-XMMPIXPASA-N 471.989 2.598 30 10 JFEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705654086 XJSUZNZLKLXYPP-PMACEKPBSA-N 466.611 2.659 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705683955 GKNCYGPCTYEBAF-INIZCTEOSA-N 491.415 2.985 30 10 JFEE C=C(Br)Cn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705692339 GSXJPRHBVXGURB-OAQYLSRUSA-N 482.423 2.676 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 1705830201 KUBBSDUMYMGVGU-NTKDMRAZSA-N 477.606 2.796 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCN1CCC(O)CC1 1705861048 ZMMACOPULKDQOI-UHFFFAOYSA-N 458.570 2.646 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(c2ncccc2F)CC1 1705888262 NNIJBIGYPULNBO-UHFFFAOYSA-N 456.547 2.785 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCCC2)C1 1705938160 PARWIOBERHIZGB-UHFFFAOYSA-N 463.629 2.641 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705940993 VLJLJSOWUJSGTD-HNNXBMFYSA-N 480.436 2.521 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1)N1CCOCC1 1708688591 FOKUMQGIJLUSIP-BJKOFHAPSA-N 482.629 2.805 30 10 JFEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCSC1 1712454031 GMKYXQAGZXXKRW-IBGZPJMESA-N 470.647 2.962 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1oc(CCC)nc1C 1722344498 PPZIJTCWGJPVFE-UHFFFAOYSA-N 455.588 2.913 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1722360309 SRDWXJICPMLTGJ-SFHVURJKSA-N 481.416 2.761 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1722360927 WYGOIRHQIIGMDL-FQEVSTJZSA-N 451.577 2.862 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722369291 XEAKNZGDEJPTGX-IEBWSBKVSA-N 469.567 2.509 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1722371250 VCTFRARSARDPPM-SFHVURJKSA-N 471.608 2.605 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(COC)CCOCC1 1722396806 LIPMIYOITNZXMX-JOCHJYFZSA-N 450.539 2.697 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1N(C)CCCC1(C)C 1722420256 HIARZNJAFBZVCV-OAQYLSRUSA-N 473.643 2.555 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1722428209 XXYJYLLSSBALNQ-IBGZPJMESA-N 457.579 2.723 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccccc2C(C)C)CC1 1722440471 HLTOXCDQTFTDQC-URXFXBBRSA-N 467.614 2.960 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1722446532 ZVCUQTCXHPRZFW-UHFFFAOYSA-N 461.570 2.860 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722495618 HWYBFDPZWTVZLI-LADGPHEKSA-N 466.630 2.917 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722508911 UTSFJYRRDFDLGZ-UYAOXDASSA-N 455.563 2.631 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722545759 BBXAPHWVBZKZAD-SFHVURJKSA-N 486.425 2.982 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722546937 DNPGYCATQDMSFH-UHFFFAOYSA-N 477.009 2.705 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722608022 QTNOAOPFUITAIY-HXUWFJFHSA-N 479.585 2.880 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1722686014 QJLVBIDOZKTOTL-AWEZNQCLSA-N 461.485 2.666 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722724272 SAXADXFBQUGFOA-GUDVDZBRSA-N 460.556 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1722726977 HMHGJXHAWFGFOM-CQSZACIVSA-N 450.515 2.755 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](c1cccnc1)C(C)C 1723611666 CFUQWHSVYVAGQH-JOCHJYFZSA-N 487.612 2.844 30 10 JFEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1724152142 ABDFUFKMIKZJPK-APWZRJJASA-N 472.977 2.943 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccc(F)cc1C 1729069264 FFAVEHQOXKJJSJ-SFHVURJKSA-N 464.549 2.882 30 10 JFEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1729691177 HOVKFRFXLHYTRZ-DEOSSOPVSA-N 467.643 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2.837 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1740991671 BDCZLKFJBSCGJW-UNMCSNQZSA-N 479.691 2.864 30 10 JFEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC2(C)C)CC1 1741765498 BKAVJNKPHYEGEE-OAQYLSRUSA-N 486.642 2.740 30 10 JFEE Cc1cccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)n1 1742341327 HQOKJEJZSJCUPW-HXUWFJFHSA-N 479.610 2.529 30 10 JFEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CC(F)(F)CNC(=O)OC(C)(C)C)C2 1742725001 DITPWQJXGCKJFZ-UHFFFAOYSA-N 499.526 2.897 30 10 JFEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N[C@H](C)CC)CC2)o1 1744445474 CYSIAVQBPDODFF-GOSISDBHSA-N 490.612 2.761 30 10 JFEE CCN(CCCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)S(C)(=O)=O 1746308410 DFIOINAGUFGFAY-UHFFFAOYSA-N 494.065 2.925 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCS(=O)(=O)C1 1748660967 ZSNKUDHIBKEOMA-CABCVRRESA-N 451.390 2.990 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1748753352 FTLUCGPYMYVQFS-UHFFFAOYSA-N 467.524 2.994 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818756 FWYPHTUOZMWDPK-AVRDEDQJSA-N 498.678 2.785 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N2CCCCCC2)CC1 1748971302 LBFZBSPAZSXTJL-UHFFFAOYSA-N 491.640 2.695 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749047642 BESRDIFTCDUGFM-RTBURBONSA-N 458.540 2.736 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749103761 ZLHJGSYDKZSVIS-SJORKVTESA-N 462.396 2.976 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCC)CC1 1749115139 MFZBJZDWACWACN-NHCUHLMSSA-N 472.634 2.628 30 10 JFEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749204419 CRTAXNZDAIVGJE-DEOSSOPVSA-N 484.645 2.673 30 10 JFEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(=O)NCCC)CC1 1749309500 JDEFTNUKGWEZPV-UHFFFAOYSA-N 465.646 2.716 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749363537 GSYXOXKWBRNPLZ-UHFFFAOYSA-N 453.591 2.825 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1749650726 GHUIMNBKYSJQSJ-QGZVFWFLSA-N 480.598 2.685 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(NC(=O)C3CC3)CC2)cc1 1749683555 XRGOSKLOLFTEPX-UHFFFAOYSA-N 466.586 2.524 30 10 JFEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749762402 SZFAAJQMNSIHRI-UHFFFAOYSA-N 466.611 2.648 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1750075096 BHCXELFWTDJELA-GDBMZVCRSA-N 471.505 2.765 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)[C@H](C)C1=O 1750836603 ICOSFPIQFQQSTG-HXUWFJFHSA-N 479.629 2.621 30 10 JFEE C[C@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1751156646 BYPBLGUSLWVIFJ-WOJBJXKFSA-N 497.669 2.786 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC)NC(=O)OC(C)(C)C 1760111578 OYGMQUINGONPCX-SJORKVTESA-N 479.585 2.953 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCC2)c1 1760128927 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480.613 2.973 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1595772641 FVMHAVWAXSOGPC-JOCHJYFZSA-N 498.653 2.945 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1617868677 GKDLYTZPUTZOLZ-XMSQKQJNSA-N 471.608 2.657 30 10 JFEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1620193299 CEWHHSRNMNWJAH-LJQANCHMSA-N 467.643 2.703 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)[C@H](C#N)C1 1629506196 HBSXEIVYEDKAGB-CYBMUJFWSA-N 453.421 2.889 30 10 JFEE COc1ccc(OC)c(CN(CCO)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 1633229096 FKUUCQYEMZWMHU-UHFFFAOYSA-N 454.527 2.865 30 10 JFEE CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)N(C)C)cc1 1637226145 HMKGGWHMKBTGRX-WZONZLPQSA-N 456.612 2.843 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2CC)CC1 1683068594 GDRSKSCEQKBSNO-NRFANRHFSA-N 456.587 2.986 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1689847823 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460.600 2.834 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1705938224 RAJMVOQXDSYRPH-CVEARBPZSA-N 454.593 2.927 30 10 JFEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1706222483 AXCASXXEENPACH-UHFFFAOYSA-N 467.643 2.607 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1708616493 BMBBXTOHMZDLCB-XLIONFOSSA-N 463.586 2.617 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC(=O)NCC(F)(F)F)c1 1722307447 ODXMCFFCEXATPO-UHFFFAOYSA-N 476.503 2.746 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1722349632 VFHNNQHRCGYTLB-UHFFFAOYSA-N 454.619 2.838 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722359847 QFYXBILVNNGABV-QGZVFWFLSA-N 490.383 2.679 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1722435034 DXRYJUSWILFOAT-UHFFFAOYSA-N 454.550 2.706 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CCC(N)=O)CC1 1722505612 RSQCAHOCIHHDBO-NZQKXSOJSA-N 455.607 2.603 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1722580816 YLENNRDSRLYUDI-UHFFFAOYSA-N 452.584 2.623 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnnn1CC1CC1 1722633633 AOSZKYVMKUYKOZ-UHFFFAOYSA-N 459.352 2.783 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)n(C)c1=O 1722654091 INTIUXCDAZCSTK-UHFFFAOYSA-N 476.581 2.657 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1)C(C)C 1722665966 PDQIRUMMQYAOHQ-YPCDYVTLSA-N 486.661 2.702 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)C(C)C)C1 1722717396 ARBRQPIQUQDEHF-GBXCKJPGSA-N 455.607 2.640 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722720357 BQIOJVYZWOBTDG-LJQANCHMSA-N 463.529 2.876 30 10 JFEE C[C@@]1(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1724042863 GGCNVCVCKZXRGS-PXNSSMCTSA-N 462.348 2.917 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1728355371 DHVLMOALRNXCDK-ZJSXRUAMSA-N 493.656 2.870 30 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C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F 1740782621 JCSNYEKBNDCEEH-HNNXBMFYSA-N 482.536 2.656 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740783232 YOHCKFYBJCPJHP-CVDCTZTESA-N 454.594 2.963 30 10 JFEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740864771 QALLBMILGOKRTG-VSKRKVRLSA-N 458.651 2.955 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740965871 UFHLVZPMOXFQSH-INIZCTEOSA-N 455.506 2.949 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CCC2)C1 1740970570 NYADJEMGMXOYQN-AONNBLCTSA-N 492.045 2.944 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCOC2(CCC2)C1 1740994916 YIUUDCOZUSFSSH-UHFFFAOYSA-N 460.600 2.780 30 10 JFEE C[C@@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1)c1nccs1 1741826710 AUMFEJYBXXRKSG-HNNXBMFYSA-N 461.555 2.666 30 10 JFEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1743194752 FFICSEOEVITBTO-BGYRXZFFSA-N 466.634 2.883 30 10 JFEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N3CCSCC3)CCCC2)CCOC1 1746648892 AUFIHDOIRJSOAK-XXBNENTESA-N 462.664 2.888 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1748810116 SEFPYWVJBJWMFB-IBGZPJMESA-N 485.997 2.872 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1748819726 SHAIYPQIQFGKGH-IBGZPJMESA-N 462.591 2.840 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCC(F)F 1748886817 MLAAGJUIABUWOC-UHFFFAOYSA-N 468.508 2.981 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1748907187 PHAWTESFNUSQAJ-SFHVURJKSA-N 453.497 2.966 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N(C)C)CCOCC1 1748926932 YPJPFLRGKLBAFM-HXUWFJFHSA-N 474.650 2.963 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1748947058 ZINHONPANRQPEU-OAQYLSRUSA-N 467.570 2.868 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(OC)CCCCC1 1748959800 ZVGGGCGYXKEBKM-UHFFFAOYSA-N 474.631 2.674 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1749090472 RNUFCGKAJDVYBM-UHFFFAOYSA-N 451.332 2.842 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccsc1)N(C)C 1749095276 CSQDFLWUGURENP-OALUTQOASA-N 468.583 2.959 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749174280 MQMOGDHDIZWJHC-HZPDHXFCSA-N 454.510 2.665 30 10 JFEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749239485 LDGQHYUARSEVCT-UHFFFAOYSA-N 469.586 2.907 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cncn2)C1 1749724030 GKDILAKXQGVGOY-NHCUHLMSSA-N 469.615 2.854 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749756565 ZLSBZLRRDFROTH-QFIPXVFZSA-N 490.718 2.862 30 10 JFEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)CC1 1749889119 GPHHRWKGTOTTBO-UHFFFAOYSA-N 465.602 2.519 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1760098281 QMGCVFHRBXZABH-MOPGFXCFSA-N 458.632 2.631 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760176046 YGFKWCYQMFLOKX-TZIWHRDSSA-N 494.596 2.709 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760190796 ZNIZFJGDOZYXGZ-GOSISDBHSA-N 455.609 2.703 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1760196115 KXZFNYULUGZZGB-DVECYGJZSA-N 459.591 2.552 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCCCC1 1760197362 UQXTWXISBMMPSX-UHFFFAOYSA-N 453.612 2.686 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1cn2ccccc2n1 1760223727 JXQQNADTCFFRRS-UHFFFAOYSA-N 457.563 2.623 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCN1CCOCC1 1760226700 IXIACIBBTVJHSB-UHFFFAOYSA-N 462.392 2.898 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCCS1(=O)=O 1760229637 ZJOHLHDYZQVROH-UHFFFAOYSA-N 469.567 2.612 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2csc(CC)n2)CC1 1760264069 AKKJUYDMLXFZAW-UHFFFAOYSA-N 452.584 2.688 30 10 JFEE 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C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](COC)C1 1760551259 YODATMIWAALJHE-OAHLLOKOSA-N 486.436 2.510 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760559607 RAZODOKYNWHXGD-UHFFFAOYSA-N 492.671 2.538 30 10 JFEE CC(C)(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCNC(=O)c1cc[nH]n1 1760751396 DXBFNWCWDBJSCN-UHFFFAOYSA-N 476.585 2.939 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2Cc2nccn2C(F)F)cc1 1771534495 CWPDQPNRAVFYAT-UHFFFAOYSA-N 484.511 2.851 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)(F)F 1772523108 CVEWJWHMZMFOHK-HXUWFJFHSA-N 451.449 2.633 30 10 JFEE CS(=O)(=O)c1ccc(-c2nn(-c3cccc(Br)c3)cc2/C=N\NC(N)=S)cc1 1857806890 NINWTJYTYRRDCJ-FBHDLOMBSA-N 478.397 2.872 30 10 JFEE COc1ccccc1CNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651051 CHEZRRBDOIXHPG-UHFFFAOYSA-N 478.530 2.685 30 10 JFEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(O)c1 1862606947 DHOYVOMXIOEUNY-OAQYLSRUSA-N 455.463 2.874 30 10 JFEE 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TVOOIBNUFFKHJD-MRXNPFEDSA-N 460.604 2.523 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1286672126 GZYFVMKESWQVNK-KRWDZBQOSA-N 453.634 2.911 30 10 JFEE C=CC[C@H](Cn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccccc1 1286680668 ZKQNKHKHMHDEQJ-FGZHOGPDSA-N 473.643 2.831 30 10 JFEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1286684658 LLBHFWYVNDKRPH-UHFFFAOYSA-N 466.565 2.935 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(C)C)C1 1286782187 NDHKWAJMMPVADO-ZDUSSCGKSA-N 454.394 2.933 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286790924 QLKLUFWKLVDKAD-SJLPKXTDSA-N 451.493 2.912 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCS(C)(=O)=O)C1 1286805122 QZEFQOXQGLSZPG-GOSISDBHSA-N 456.572 2.551 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1287152801 HUDBILNKRCPGJG-VWLOTQADSA-N 483.617 2.766 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1300484315 PPEYESGWWGLXJV-QFIPXVFZSA-N 469.655 2.865 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1300504171 KJAFPOZYSKCXBZ-FQEVSTJZSA-N 497.646 2.957 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)N1CCN(CC)CC1 1300657896 TWMNFZDFRKOGCE-LJQANCHMSA-N 489.462 2.820 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC(C)C)CC1 1300741430 WQIDRCGQUVSMFV-UHFFFAOYSA-N 495.491 2.960 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300770198 PFSCYZCTNAUPQJ-JOCHJYFZSA-N 496.637 2.607 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOC1=O 1300788753 LHRJRUJCKQIYMB-HXUWFJFHSA-N 461.364 2.881 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 1301164412 SRWBQMJNQITWNU-NRFANRHFSA-N 450.587 2.836 30 10 JFEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301207162 RIKLPCVWUVULRM-XMMPIXPASA-N 468.558 2.743 30 10 JFEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(S(=O)(=O)CC)CC1 1301246341 QQLLSBHPVJAUGC-UHFFFAOYSA-N 462.572 2.670 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)C)C(C)C 1301372506 ZOGZQCHCUAKSPY-VQTJNVASSA-N 471.650 2.747 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1301555025 RGBRFITWUOLZKD-FGTMMUONSA-N 459.513 2.564 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1301603904 IYOQTXJZSBFVDY-NRFANRHFSA-N 465.627 2.551 30 10 JFEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@H](C)C1 1301611575 NMGJWYXTPYGZQH-WIYYLYMNSA-N 459.616 2.867 30 10 JFEE CCCNC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1313483406 DSLWMPGMEFIJQP-UHFFFAOYSA-N 488.596 2.675 30 10 JFEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1316539853 GMTVXNFPLFCEFE-MAUKXSAKSA-N 468.455 2.609 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1358954878 ZYDOOIWTEIZOSB-SJLPKXTDSA-N 465.645 2.615 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2=CCCOC2)CC1 1359033298 XEZSEJIGVODVED-UHFFFAOYSA-N 472.387 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCN(CC)C2)CC1 1359042219 XAGWEIVWSZPGLB-SFHVURJKSA-N 486.567 2.854 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(N(C)C)CCCC2)CC1 1359042841 VYOBNJNKNTTWJS-UHFFFAOYSA-N 464.614 2.794 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](COCC)C1 1359054965 OJAOHCUHMWIMRL-GOSISDBHSA-N 476.672 2.858 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1359056288 CGBHNDVFHIZGRQ-CYFREDJKSA-N 491.658 2.755 30 10 JFEE C=C(Br)Cn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359088701 RBEGSKVSXHHBMN-UWJYYQICSA-N 484.439 2.920 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359117016 WRCNHGKDTOZHGR-UHFFFAOYSA-N 467.618 2.714 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359120996 QAASWCPOQDXSON-KDURUIRLSA-N 465.602 2.796 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CC(N)=O)C1 1359127104 INTVIYPIJVSBLU-CQSZACIVSA-N 451.369 2.720 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1359135476 FCYNTICEEIUCLH-UHFFFAOYSA-N 464.570 2.723 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCn2cc(C)cn2)CC1 1359165930 ZUWJETIHHUZGHP-LJQANCHMSA-N 457.579 2.948 30 10 JFEE C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359190785 CHKOMSJLNCHFDU-JOCHJYFZSA-N 479.673 2.912 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)N2CCOCC2)C1 1359314532 COLNNMVWGVKSAB-HNNXBMFYSA-N 496.431 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2nccs2)C1 1359334823 RIYAJYPKKGFVGD-IBGZPJMESA-N 473.624 2.699 30 10 JFEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)C(C)(C)C 1436654666 OYFQQLLGAKFCQK-QHCPKHFHSA-N 453.608 2.971 30 10 JFEE C=CCN(C)CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1448877343 WCLRPNFZRDDSLT-KDURUIRLSA-N 451.633 2.942 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)CC1 1476098164 AZGLGODNSDDTBD-LJQANCHMSA-N 456.568 2.752 30 10 JFEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1492544101 GRPHCIROESYIBY-QHCPKHFHSA-N 452.559 2.578 30 10 JFEE CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1499931045 HBAWPEDSDQZXIW-NBGIEHNGSA-N 475.553 2.926 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1503694465 HULAIFVIXPXTKI-UHFFFAOYSA-N 476.566 2.936 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)C1 1503731085 BUTRSEYENFKOKI-RPWUZVMVSA-N 480.594 2.660 30 10 JFEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCC1 1505151269 DJUCAQOJNDSNBA-UUWRZZSWSA-N 483.642 2.748 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1507523535 PKKUAOQZEYQACJ-OAHLLOKOSA-N 460.376 2.756 30 10 JFEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)COC)CC1 1507595696 UXBAWJFSVZOGPV-UHFFFAOYSA-N 453.587 2.863 30 10 JFEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)N1CCSCC1 1507604854 NRAWDEQCRAAQCN-UHFFFAOYSA-N 498.678 2.801 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCS(=O)(=O)C1 1507609572 AWWFITRQIPSHHG-ZDUSSCGKSA-N 455.353 2.741 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1csc([C@@H](C)OC)n1 1507613167 YCWVFEHYBYPMGM-MRXNPFEDSA-N 452.588 2.734 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507630459 ZGENGIWUNBKNTO-IRLDBZIGSA-N 465.579 2.745 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H](OC)C(F)(F)F 1507665388 NKNXUKLDTBISMR-KRWDZBQOSA-N 482.532 2.669 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOCC1 1507690067 PENXGEGTGKWVAY-UHFFFAOYSA-N 460.623 2.574 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1507731979 GZYNAKPQFJUQCI-NHCUHLMSSA-N 453.587 2.826 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1507739216 BPXVDDICGOTKFT-UHFFFAOYSA-N 495.628 2.535 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507757371 SROMCSBCMLTVTG-HSZRJFAPSA-N 470.574 2.848 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1507759488 HYLNRPVWBMFBEE-UYAOXDASSA-N 455.632 2.680 30 10 JFEE C=C(Br)Cn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507793189 ONORVYWRIZBJRZ-OXJNMPFZSA-N 455.397 2.970 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507825262 UYAUQFKIKRQELG-QFIPXVFZSA-N 462.572 2.562 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOCC)CC1 1507857996 ZGCVHSLCYIUQIL-UHFFFAOYSA-N 457.804 2.957 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507952440 UHBMEWFTZWAULY-JOCHJYFZSA-N 455.588 2.721 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1508008444 OCZANGOGYGJKKP-QUCCMNQESA-N 477.606 2.989 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNc2nccc(C(F)(F)F)n2)C1 1508121003 BOFGTDDGVLOTMS-HOTGVXAUSA-N 467.496 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC2)CC1 1508137999 USCSJUIWFWOIOY-UHFFFAOYSA-N 450.008 2.874 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1CN1CCCC1=O 1509633095 CWRXDDKEDOISSO-UHFFFAOYSA-N 463.586 2.717 30 10 JFEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)c(=O)n1C 1510859768 AZRIUTDTTWUOFB-UHFFFAOYSA-N 471.565 2.637 30 10 JFEE Cc1cnn(CC2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)c1 1511413406 BJNSILXSDAHNHM-UHFFFAOYSA-N 476.585 2.629 30 10 JFEE Cc1csc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)n1 1511439855 CHEFGCGCCKGJPW-MRXNPFEDSA-N 479.614 2.578 30 10 JFEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1nccs1 1532066909 HOASLONBAZADNX-KBPBESRZSA-N 453.973 2.874 30 10 JFEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CCOCC1 1538510965 YZOZUCDOTJKGJB-UHFFFAOYSA-N 451.545 2.545 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539203091 NOBCKNCDPCVXSI-PZJWPPBQSA-N 492.605 2.664 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1539216819 XLYSXKQOALRTLV-NRFANRHFSA-N 467.620 2.878 30 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JFEE C[C@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H](C)NC(=O)OC(C)(C)C 2255772626 HOSRCZRZKKSLJB-CABCVRRESA-N 454.398 2.566 30 10 JFEE CC(C)(C)OC(=O)NCC1(F)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255834201 FPAXTOIVHYIJJY-UHFFFAOYSA-N 455.361 2.568 30 10 JFEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255878710 DBZDUMGIFYVXKM-NHCUHLMSSA-N 465.359 2.910 30 10 JFEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255951076 YXEFVQWHCZIULT-BGYRXZFFSA-N 486.399 2.722 30 10 JFEE CC1(C)OB(c2ccccc2CCNC(=O)C2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2256679483 XBBJBXHWJUCYBJ-UHFFFAOYSA-N 464.371 2.913 30 10 JFEE C[C@H](Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2265990381 VZHUHEZNHMCMTA-GOEBONIOSA-N 452.332 2.923 30 10 JFEE Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267354686 QQZISIJWZBTXOA-QKKBWIMNSA-N 484.449 2.643 30 10 JFEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 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CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)=C(C)C1 2268635240 OYTUOMOFTLIGDJ-INIZCTEOSA-N 452.357 2.623 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(F)F 2268672793 VUWZWKIVFJWIKN-GFCCVEGCSA-N 475.367 2.949 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)s1 2268714525 KULYZYRVTIFWEN-MRXNPFEDSA-N 468.425 2.590 30 10 JFEE Cc1csc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1B1OC(C)(C)C(C)(C)O1 2268716991 QGLKYLGFIPGGNX-MRXNPFEDSA-N 468.425 2.636 30 10 JFEE CN(C)C[C@H]1C[C@@H](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CN1C(=O)OC(C)(C)C 2280707632 BBUKIYZAXYYLSS-HZPDHXFCSA-N 465.375 2.838 30 10 JFEE Cc1c(C(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281793776 WYKQXRRDIUGUMF-HXUWFJFHSA-N 452.408 2.764 30 10 JFEE CON(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2281798232 GBEMFLGKHAFEST-UHFFFAOYSA-N 461.368 2.784 30 10 JFEE CN(Cc1nc(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2281941297 DXKNULTVFWKDPC-UHFFFAOYSA-N 457.340 2.723 30 10 JFEE C[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281983243 YSCAWOBPXWZXJY-JKSUJKDBSA-N 462.400 2.627 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)n1 2281991785 FZYIYHHOMBCAFH-HSZRJFAPSA-N 462.400 2.579 30 10 JFEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)CN(C)C(=O)OC(C)(C)C 2282012682 ZAVOUMWODBCUAG-UHFFFAOYSA-N 464.416 2.651 30 10 JFEE Cc1cc(C(=O)Nc2nc(CNC(=O)OC(C)(C)C)n[nH]2)ccc1B1OC(C)(C)C(C)(C)O1 2282111045 QABHVVBZLRIYAU-UHFFFAOYSA-N 457.340 2.689 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(C2(NC(=O)OC(C)(C)C)CC2)C1 2282113360 PBIBWYCUVJPEOS-UHFFFAOYSA-N 459.396 2.937 30 10 JFEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282324848 VOFORJKRKRXNBQ-OAHLLOKOSA-N 484.399 2.755 30 10 JFEE CC(C)C[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2282329701 QEPOSTNYXNLYMA-QGZVFWFLSA-N 483.440 2.599 30 10 JFEE CN(Cc1ccccc1)[C@@]1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282488783 DSFRUUWIZXEQPB-HSZRJFAPSA-N 492.472 2.617 30 10 JFEE C=CC1(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 2282490542 KBBWIHISHCBMLZ-UHFFFAOYSA-N 478.420 2.581 30 10 JFEE CCc1nc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282526993 WWPRDDSCKMIKJF-NWDGAFQWSA-N 475.342 2.676 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCCC[C@H]21 2282579703 IKQYSUSJRABOPI-IAGOWNOFSA-N 460.384 2.713 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)F 2282669151 PSDPHTHBBOHEMO-HIFRSBDPSA-N 467.322 2.611 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2282683207 ZWHYUWFVDWTYIR-UHFFFAOYSA-N 459.396 2.844 30 10 JFEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H]1CCOC[C@H]1NC(=O)OC(C)(C)C 2283937280 UGTQCMVZZWENSD-QZTJIDSGSA-N 480.436 2.936 30 10 JFEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283980558 BLVBPWIBXWNSGE-DNVCBOLYSA-N 460.380 2.539 30 10 JFEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2284060012 JXAYCSHDDBFRSS-XEAOVJFBSA-N 480.436 2.985 30 10 JFEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2284064636 ZTFMIDLBMZLOGK-UHFFFAOYSA-N 463.359 2.520 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCc2c(F)cccc2B2OC(C)(C)C(C)(C)O2)O1 2289650214 CDKYWZADIJAKDY-GOSISDBHSA-N 464.343 2.725 30 10 JFEE CCOc1ccc([C@H]2C(=C(O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296923903 FRAALUVFFGNGGW-DEOSSOPVSA-N 496.560 2.856 30 10 JFEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 2297742894 XCTWLMIVWVRXQS-AVRWGWEMSA-N 491.588 2.830 30 10 JFEE CCn1c(N2CCCC2)c(C=C2SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 2314462516 SNCMEPKNNBBAQI-UHFFFAOYSA-N 460.581 2.715 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315696369 XTMSBEOYIAZWNH-UKRRQHHQSA-N 451.398 2.818 30 10 JFEE CCCOC(=O)CSc1nncn1N=Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1 2321346745 LEKRPTHMBQCUED-UHFFFAOYSA-N 477.587 2.852 30 10 JFEE COC(=O)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(C(=O)O)cc1 2328398728 RPVZQSNGYANDJA-UHFFFAOYSA-N 456.480 2.711 30 10 JFEE CCOc1ccc(C=Nn2c(CCc3cccc(OC)c3)nnc2SCC(N)=O)cc1OC 2328625551 LHLUEIPMGUKZRF-UHFFFAOYSA-N 469.567 2.939 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C(=O)O)(N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C[C@H]2C1 2346955350 FTZSSVJIKSPKDH-UGCAPWQASA-N 454.571 2.797 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364918870 FUFYAICJBIXACG-IWEFOYFVSA-N 462.327 2.568 30 10 JFEE COc1cc(C(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc(OC)c1OC 102421625 GLATYXOWIBGSTD-GEBZCHDISA-N 462.549 2.628 30 10 JFEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccs2)/C1=C(/O)c1ccc2c(c1)OCCO2 102695849 BTYHXMGFHGSDBW-AGGMBTAESA-N 470.547 2.663 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2CCCN(C)C)cc1O 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Cc1ccc(F)c(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3cnn4ccccc34)c2=O)c1 729669538 QCZGIDBQKCPCFC-UHFFFAOYSA-N 496.527 2.531 30 10 JFEE C=CC[C@H](NC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1)C(=O)O 757273974 GCEHXQIMKINXMP-SQJMNOBHSA-N 450.491 2.830 30 10 JFEE C[C@@](O)(CNC(=O)[C@@H](CCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757404640 XXRJFOFDJZDJPL-PXDATVDWSA-N 465.506 2.539 30 10 JFEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2)s1 1128374795 FJVUXCTWTBXVEN-SFHVURJKSA-N 458.609 2.936 30 10 JFEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccnc(C#N)c1 1156661774 IBNAPJWFZOJHOJ-GYCJOSAFSA-N 456.502 2.858 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)Cc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1 1167071196 KIWVDZFKQYNNTO-UHFFFAOYSA-N 453.568 2.645 30 10 JFEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 1167783966 BFVXORAIHOHVAV-VWLOTQADSA-N 459.594 2.598 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCCC1=O 1286297664 CRWHNOYFSTYXIE-FQEVSTJZSA-N 464.618 2.703 30 10 JFEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1286324970 TUMSSXDTUWJHAO-HXUWFJFHSA-N 451.571 2.947 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1286388057 XGWGUKVZILWJIH-SFHVURJKSA-N 491.495 2.914 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286396444 PTRQCUGARROEKH-FGZHOGPDSA-N 485.654 2.524 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccsc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286398929 UCGMRQZJMGPEGU-NJDAHSKKSA-N 491.683 2.901 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286475187 YXLIUNNWTJQFLH-UHFFFAOYSA-N 496.612 2.584 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@](C)(O)C(C)C)CC1 1286489043 CUBOWIVKIQKSHP-AREMUKBSSA-N 460.582 2.866 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1286564191 UEHIEGKDFAKLJF-ZSYWTGECSA-N 454.637 2.659 30 10 JFEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1286609213 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1300626676 BPPRYZZUNCTZTH-LJQANCHMSA-N 456.591 2.697 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)cc1F 1300665545 KWSAVDAKSIBKHY-UHFFFAOYSA-N 479.560 2.734 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCN(C)CC(F)(F)F)CC1 1300685211 JLOJBIHBACXOGI-UHFFFAOYSA-N 486.546 2.975 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)C(C)(C)C)CC1 1300718863 YMTXDOSTBJURMY-UHFFFAOYSA-N 464.614 2.636 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1300720018 ZEIBUVGYFTZSHN-LJQANCHMSA-N 495.628 2.886 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1300731721 HJVQZUBENFDLDQ-FVTFTPSCSA-N 471.646 2.714 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCO[C@H](C)C1 1300756006 BRFXWUYJNVFMGV-QGZVFWFLSA-N 452.584 2.657 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1300928645 KOQJQJBQVQCHIC-PBHICJAKSA-N 484.420 2.805 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1300952343 RXVUSZLCBKDBDD-OALUTQOASA-N 476.622 2.856 30 10 JFEE C=CCCOCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301260210 YFNLESWWOVZKIC-CEXWTWQISA-N 497.662 2.655 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)n(C)c1=O 1301334887 RCROJGHPGVQUME-UHFFFAOYSA-N 464.570 2.673 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301514182 FZOYNTXGWWLHKF-WMZOPIPTSA-N 467.492 2.932 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC[C@H](NC(C)=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1301530239 QVGSQKSDUCXUHJ-SQJMNOBHSA-N 469.586 2.648 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(C)=O)C[C@H]1C 1301575953 NUACQTDPQVOFAL-DLBZAZTESA-N 491.683 2.789 30 10 JFEE C=CCn1c(SCC(=O)NCCN2CC[C@@H](O)C2)nnc1-c1ccc(Cl)cc1Cl 1302178143 PDEDPURSPXIHNI-CQSZACIVSA-N 456.399 2.713 30 10 JFEE C=CCNC(=O)CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1312989197 WAOGLVHUXWQKJM-PMACEKPBSA-N 460.575 2.780 30 10 JFEE CN(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1314654755 HJTKSRDMUZTPOD-YLJYHZDGSA-N 453.497 2.574 30 10 JFEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)CCCC1 1315268360 HPJKBEMJFQNNSR-KRWDZBQOSA-N 472.615 2.888 30 10 JFEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)C1 1315694583 CQKVNFBWMIDOHG-QHCPKHFHSA-N 451.619 2.706 30 10 JFEE C#CC[C@@]1(C(=O)N=c2cc(C)n3[nH]c(C(F)(F)F)nc3n2)CCCN1C(=O)OC(C)(C)C 1349176402 GOXREINQIPOBBG-IBGZPJMESA-N 452.437 2.605 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCCC)nc1 1358885361 IOVMZFSAYLDXFX-QGZVFWFLSA-N 467.599 2.928 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2CCCCO2)c1 1358900869 UMGSGVPCNJKGRC-NRFANRHFSA-N 464.570 2.530 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCCC2)c1 1358902397 MYRCCWMDPIPAEW-LJQANCHMSA-N 458.570 2.523 30 10 JFEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1358931118 PGLXMDQVLDHPKR-UHFFFAOYSA-N 463.973 2.756 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1358962232 MMYCFOSWOYKKGD-GOSISDBHSA-N 495.447 2.612 30 10 JFEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358963358 GPOBMTDZRUQHDA-FCHUYYIVSA-N 455.628 2.613 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358964112 UDVIMGRCDHRNIX-HBMCJLEFSA-N 463.692 2.861 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCCN1C1CC1 1358968592 RLBVHQURTIPSJE-JOCHJYFZSA-N 465.001 2.951 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC(C)(C)C 1358978880 WYTWZDVBPPHABI-UHFFFAOYSA-N 470.618 2.770 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1358982032 HDIZQLFQDCMPQJ-UHFFFAOYSA-N 479.581 2.840 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1359021165 DVWUICKCBWOJBR-WOJBJXKFSA-N 450.587 2.791 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccnc(SC)c2)CC1 1359033259 VONSSGGBLKBBLM-UHFFFAOYSA-N 464.595 2.883 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1359043624 BCWYXEGPECTCGD-UHFFFAOYSA-N 464.599 2.503 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)Oc2ccccc2OC)CC1 1359046632 ZUHYZVSHDBHXFA-FQEVSTJZSA-N 488.592 2.706 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2cnccc2c1 1359057215 VLABCAULLYCICY-FQEVSTJZSA-N 455.609 2.731 30 10 JFEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359087990 WVKITDXMIAZUCD-QGZVFWFLSA-N 489.374 2.547 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359095296 MTQKVCXYIKDTIE-KNKQGSTJSA-N 489.642 2.701 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCC)CC1 1359098170 YFHHPDWDAYNRSS-FPOVZHCZSA-N 453.591 2.849 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359118237 WZFGUZYQKLBWCH-UZLBHIALSA-N 490.450 2.991 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359214218 VLHGOAKZDUOAHH-SJORKVTESA-N 472.615 2.899 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CNC(C)=O)CC1 1359222220 CCLIOCWORUTHAJ-UHFFFAOYSA-N 465.396 2.981 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1359256785 PRUJUFXLXKNASV-NRFANRHFSA-N 484.626 2.865 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1c(C)nn(C)c1C 1359294206 NXYTVAWJQGIUSH-UHFFFAOYSA-N 459.558 2.624 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359295025 MSPJYXGASYAEAE-UHFFFAOYSA-N 489.418 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359327459 BSNBFBCBDMBJBK-IAGOWNOFSA-N 480.562 2.547 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359336690 YUDZMCTVHMCBJG-IECBHUPTSA-N 496.674 2.572 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1359341590 AYISGFYZWCBLDA-QGZVFWFLSA-N 464.636 2.590 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1466477978 OJSGGBUWNAFSRT-QGZVFWFLSA-N 452.939 2.586 30 10 JFEE CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1474813564 AMWFWYIURUGDGT-UHFFFAOYSA-N 454.321 2.787 30 10 JFEE Cc1cccc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2CCS(=O)(=O)N(C)C)n1 1492503963 CVGJEBXQHNHDRK-UHFFFAOYSA-N 465.583 2.581 30 10 JFEE Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)C2)n1 1492730866 FVSLAXPPJVLHKZ-NRFANRHFSA-N 476.585 2.862 30 10 JFEE CCCN1CC[C@@H](Cn2c(COCC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 1500957284 IDCHGONVVUHHCZ-LJQANCHMSA-N 455.582 2.884 30 10 JFEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1)S(C)(=O)=O 1501683458 BBSQMZURHPKWLP-OAQYLSRUSA-N 470.599 2.760 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1502915585 FNBAVEBERCMNFA-VGOFRKELSA-N 477.562 2.523 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccs1 1503461522 DKGDXZBKSSVWCM-UHFFFAOYSA-N 486.561 2.925 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(OC)CCOC2)cc1Br 1504183483 BEGKPQBSLDVDOC-VQTJNVASSA-N 480.338 2.964 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cscc2C)c1 1507550637 NSELQCYIWQPKMX-SFHVURJKSA-N 483.619 2.655 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccc(Br)cc1 1507575054 QGKGETGEVNOWNQ-OAHLLOKOSA-N 468.421 2.743 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507630009 XZVQGUDXGRJMAB-FZKQIMNGSA-N 487.445 2.557 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cn(C)nc1-c1ccccc1 1507677357 YNWLOHJDQBESQE-URXFXBBRSA-N 458.566 2.914 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCN(C(C)C)CC1 1507678489 ZAZJRSUSSAYHMV-UHFFFAOYSA-N 452.603 2.842 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2CC2CCN(C(=O)OC)CC2)n1 1507715790 CZRFFEYLOZNGMI-UHFFFAOYSA-N 469.590 2.507 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507736988 XLCYFSCDHONLEP-QFIPXVFZSA-N 451.619 2.672 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(N)=O)C1 1507747976 KDCBEIFSDROWGI-LBPRGKRZSA-N 454.419 2.837 30 10 JFEE C=C(Br)Cn1c(Nc2ccn(C)n2)nnc1-c1sc(N2CCOCC2)nc1C 1507790514 AMSDRFSXURTGCY-UHFFFAOYSA-N 465.381 2.932 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1507791427 LYOASRDRACBMDC-NCYKPQTJSA-N 474.650 2.919 30 10 JFEE C=C(Br)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1507791955 UBTFKLQFYKFTDU-PWSUYJOCSA-N 463.308 2.609 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507825351 VLEIPLDWFWSEHT-IBGZPJMESA-N 484.601 2.566 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOCC)C1 1507830621 NBARTRVQKKYPMB-OALUTQOASA-N 465.595 2.794 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507838022 ZAVSGQIAXQOJFO-QZTJIDSGSA-N 458.538 2.706 30 10 JFEE C=C(C)COCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507848820 OUVNKSHCFAPORT-SVFBPWRDSA-N 485.633 2.818 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC(=O)N1 1508037579 MXWWRUOQXOAFFE-CQSZACIVSA-N 464.364 2.634 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1508088483 YGLAWZDTZTYTAH-VQIMIIECSA-N 472.565 2.660 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098738 REVSVIIZHGWPTC-YADARESESA-N 457.550 2.754 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1508118563 XONSEXMMYFJISY-OFVILXPXSA-N 469.586 2.508 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCO[C@H](C)C1 1508131128 KUVVXPJQMUQYJS-SJORKVTESA-N 452.552 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1508139672 IJZSLNRUERBOJZ-NRFANRHFSA-N 471.558 2.966 30 10 JFEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1508151163 VYDKNDXERUWWSQ-IBGZPJMESA-N 470.599 2.640 30 10 JFEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1519109449 CFHVQAKVUHZFQC-UHFFFAOYSA-N 497.003 2.886 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCO[C@H](C)C1 1538983406 RCEPUJOVLAYFBN-IPMKNSEASA-N 459.616 2.859 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccco2)c1 1539044181 YYPWRHNYEQMFMC-AREMUKBSSA-N 470.533 2.821 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCCO1 1539171034 FIOKBWVEAWHBEM-IBGZPJMESA-N 464.570 2.891 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539210748 GGHPSTXWIHPAQM-AZUAARDMSA-N 499.662 2.945 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1539211876 PVRHUGNLZQYFHH-OALUTQOASA-N 459.591 2.585 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(NC(C)=O)nc1 1539263262 CLFWUKZOOATLLX-NRFANRHFSA-N 491.596 2.867 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CC(F)(F)F 1539371643 XJTSJVYTRPRXPJ-MRXNPFEDSA-N 474.528 2.540 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)[C@H](C)[C@@H](C)O3)CC1 1539469266 QINKOLANLPDIGJ-AQNXPRMDSA-N 495.624 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2COc3ccccc3O2)CC1 1539482785 WKXAWLSYWVMVIA-LJQANCHMSA-N 451.571 2.673 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1539593938 CFJVHEKDZBWTHH-MRXNPFEDSA-N 479.354 2.612 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 1540890176 AZYRXXNHNILIJG-ROUUACIJSA-N 456.534 2.784 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540898924 YQRBESPHBNXYSJ-QGZVFWFLSA-N 481.018 2.974 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1540900378 SXXILUPRVBDLRF-HXUWFJFHSA-N 496.637 2.979 30 10 JFEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540919849 HLBRDAGIYKJRQT-FQEVSTJZSA-N 484.626 2.866 30 10 JFEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1541259632 FGRKTVDHYULYMP-UHFFFAOYSA-N 477.613 2.914 30 10 JFEE CC[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N)N1CCCC1 1545976939 AXSJBMGFWMJKIO-ROUUACIJSA-N 458.636 2.708 30 10 JFEE COc1ccc(NC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)c(OC)c1 1548369140 CEDDJWFIXJCEBH-GOSISDBHSA-N 477.443 2.802 30 10 JFEE COc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(CC#N)CC2)cn1 1554931449 FXKUSNNIZLTHSS-UHFFFAOYSA-N 466.567 2.931 30 10 JFEE C=CC[C@H](NS(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl)C(=O)OCC 1561460876 YRQXZQYJGSCLEM-QMMMGPOBSA-N 453.698 2.735 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCN(c4nccc(OCC)n4)CC3)n[nH]2)c1C 1566364661 XSRWFFBNDCDJHE-UHFFFAOYSA-N 450.547 2.617 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588070117 WWYFOJBOPOZFIK-IBGZPJMESA-N 485.635 2.882 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCOC1CCOCC1 1588170752 MYWRCXLBIDMBTL-BGYRXZFFSA-N 471.602 2.707 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1588638564 TYHYOFZCUOLSRD-LADGPHEKSA-N 466.630 2.816 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)c(Br)c2)CC1 1588811448 JKWKQVYKKYTSFP-GOSISDBHSA-N 474.403 2.551 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1588848814 NNDVIAIJGYHBHS-RUZDIDTESA-N 482.648 2.900 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1589053311 NAQBJYGKYKUHMQ-KRWDZBQOSA-N 479.610 2.703 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1595234567 UWDLJKHXTUAWFK-OFVILXPXSA-N 453.587 2.990 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1595297701 VWYAJTMVTNRHCV-UHFFFAOYSA-N 460.542 2.742 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](C(=O)OC)C1 1595497327 XYXHXLDROZNTOG-CVEARBPZSA-N 457.600 2.823 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595577213 LPFPGOPUTPQNSV-VWLOTQADSA-N 469.586 2.550 30 10 JFEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595665281 RCPCIVIHZLQEIY-NHCUHLMSSA-N 454.571 2.984 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCC[C@H]2C)C1 1595730648 XVEGXZUHMBNWSX-IYWMVGAKSA-N 477.606 2.793 30 10 JFEE CC[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Oc1cccc(C(F)(F)F)c1 1610993499 BQQBMKNODMSQAZ-INIZCTEOSA-N 455.458 2.829 30 10 JFEE N#CC1(c2ccccn2)CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 1617844960 HBVHAZASTLCIPD-UHFFFAOYSA-N 450.520 2.851 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)n1 1627670481 VMGPZNBJTOKURT-INIZCTEOSA-N 454.581 2.787 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)c1 1631085096 FVUBBWAWFJGOEE-WGSAOQKQSA-N 454.548 2.769 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc(C#N)c(C)c3)CC2)cc1 1641222496 FOTZFEKDRSLXDC-UHFFFAOYSA-N 457.577 2.695 30 10 JFEE C=CC[C@@H]1N(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CCCC1(C)C 1645453701 QTCHPLXCEIFIPD-IBGZPJMESA-N 453.587 2.999 30 10 JFEE C=CCn1cc2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2n1 1675012927 LRMVIRTYSCNZLO-UHFFFAOYSA-N 450.524 2.632 30 10 JFEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 1675149256 UTWGVKBXGOQQNW-UHFFFAOYSA-N 455.521 2.685 30 10 JFEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1680192545 BGRNMELCSLSLMF-FUHWJXTLSA-N 458.563 2.545 30 10 JFEE C#CCN(C(=O)NC[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 1683029468 HFEJUQCCHHJJBA-YOEHRIQHSA-N 455.374 2.742 30 10 JFEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccc(Cl)cc1 1683676961 YVTVWOSGOOQPES-SFHVURJKSA-N 450.948 2.725 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCCC1 1689850800 HPSCYWIFZPBVBH-UGKGYDQZSA-N 455.628 2.672 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1689982772 UAUDORQXVCKZEZ-VQIMIIECSA-N 475.596 2.623 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689985914 FGTITJWBZHUQLM-HMXCVIKNSA-N 457.600 2.562 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689994132 RMQUGSNJMOGAQT-HXUWFJFHSA-N 485.997 2.601 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1689996959 SBYZQJXCRFOIIB-FQEVSTJZSA-N 497.646 2.957 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690182719 FHDSIIZGXBXQAX-LJQANCHMSA-N 462.641 2.854 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690246017 PWGPXALYVHDWJZ-GGAORHGYSA-N 458.651 2.907 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690250571 JBKDWVDNSBITOF-IEIRFRATSA-N 473.643 2.515 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690250724 KRQAXPWBCNIVNN-GCJKJVERSA-N 454.531 2.926 30 10 JFEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1)C1CC1 1690553841 KBXGXRYYCGTEMB-GBESFXJTSA-N 460.623 2.924 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2ccc(Br)cc2C1 1690672974 JTIGCRVQLKZBGI-UHFFFAOYSA-N 467.371 2.891 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](N2CCCC2)C1 1690726898 PTGXSVIHKDURIS-QFIPXVFZSA-N 457.644 2.729 30 10 JFEE C=CCSCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690752648 NISVROLXAPIVNP-QHCPKHFHSA-N 465.664 2.933 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1695008577 AQIZPKKSUWVQMV-QHCPKHFHSA-N 492.672 2.728 30 10 JFEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705519928 BSMAGAGGWHAATB-HSZRJFAPSA-N 464.614 2.712 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1705565350 GYERZWGQWBPKHC-SFHVURJKSA-N 469.611 2.736 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1705570532 OCKFLSNFVVKKEV-NRFANRHFSA-N 474.602 2.842 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COc2ccccc2O1 1705588039 TXVBELWKBVCZPX-HSALFYBXSA-N 477.565 2.962 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)NCc2ccccc2)CC1 1705648656 VRQBUHACEYYBOT-UHFFFAOYSA-N 464.614 2.539 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCNC(=O)C(C)(C)C)CC1 1705650455 RBHJMUUIRGVMQR-UHFFFAOYSA-N 478.641 2.582 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1705651849 JGIUIPFLSUOXIQ-SFHVURJKSA-N 478.578 2.958 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705733646 WDXLGRRZOAACQL-SFHVURJKSA-N 457.531 2.981 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(F)c2)CC1 1705769233 MSIHIGPHLAVBEL-HXUWFJFHSA-N 463.579 2.539 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1705795189 DUKVWXOQRIFKBG-NRFANRHFSA-N 459.554 2.954 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NCC)CC1 1705801521 HGVVJZMTVCLBIW-UHFFFAOYSA-N 460.604 2.556 30 10 JFEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1705835459 LMVKZEATSDXCBW-DHLKQENFSA-N 455.603 2.934 30 10 JFEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1705835460 LMVKZEATSDXCBW-RCZVLFRGSA-N 455.603 2.934 30 10 JFEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1705889574 JWZICXIMOJQTOP-MRXNPFEDSA-N 458.588 2.681 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705898060 ZUZAEXSLZVMXKZ-UZLBHIALSA-N 485.976 2.685 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705908259 MEYGGHPVTXSEHN-UHFFFAOYSA-N 469.521 2.548 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1705914968 HSWNCDUNPKPULR-OKZBNKHCSA-N 464.563 2.773 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCCC2)CC1 1710881512 DWNVQABOQDJRNL-FQEVSTJZSA-N 499.685 2.799 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1csc([C@@H](C)OC)n1 1711302158 FQODVXQGNBIFSW-HUUCEWRRSA-N 453.572 2.847 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722326075 QSSWXYSVSYQTHO-HXUWFJFHSA-N 480.594 2.662 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1722359322 RWCCBOHINGCLCH-GFCCVEGCSA-N 458.481 2.807 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722359785 BBHXIMORYABBIZ-XLIONFOSSA-N 469.542 2.573 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722405583 NNBJARVJKZQILZ-SQJMNOBHSA-N 467.570 2.556 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@](C)(O)c2ccco2)CC1 1722440836 FIEVQYWWDZNIHM-RUZDIDTESA-N 465.554 2.512 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722444224 VFGOOYBKGQOAKE-IRLDBZIGSA-N 478.553 2.800 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1722445510 SJGBWPWYDWXSJT-OAQYLSRUSA-N 463.630 2.674 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722519021 BGOWQPYEUZUIKF-PKOBYXMFSA-N 489.020 2.805 30 10 JFEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722681219 KKXNAEXOBBVSIU-LVCYWYKZSA-N 456.566 2.732 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCC(F)(F)F 1722697586 MSLZYENNFCEXPB-UHFFFAOYSA-N 477.491 2.927 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1722726984 DIOIVSJLBBCVMK-IBGZPJMESA-N 477.675 2.600 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1722832131 DGGHREOCRJMTPU-UNMCSNQZSA-N 450.543 2.774 30 10 JFEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1726432769 AWMSMDHFYBHBIU-UHFFFAOYSA-N 463.542 2.687 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1740623726 ZXOOFSOTNCUNTL-NHCUHLMSSA-N 470.643 2.540 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740628915 WKIZHZQTMJADTL-IFMALSPDSA-N 472.611 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1740651078 YAHOPLJZDJMCHT-UHFFFAOYSA-N 483.619 2.765 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1740676528 FTVUMAUNQRTAPR-NTKDMRAZSA-N 474.602 2.900 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCCN2CC)CC1 1740693125 UMTNXHYCNIDXKH-QFIPXVFZSA-N 466.630 2.980 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N(C)C)CC1 1740702628 UJSZQZNXIAWAAX-QGZVFWFLSA-N 487.004 2.516 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1740758172 ZNFGISBFIPQQIG-VGSWGCGISA-N 490.004 2.883 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740778259 RVXNQBZFPZJTGA-UHFFFAOYSA-N 464.412 2.602 30 10 JFEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)N2CCOCC2)CC1 1740835122 MYIXGBUINPLMDI-UHFFFAOYSA-N 460.376 2.969 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C3CCOCC3)C2)cc1 1740965139 DSFUENFJCNLGMO-GHTZIAJQSA-N 489.642 2.754 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OC)C1 1740988720 NMULJWRMSKKGFL-CQSZACIVSA-N 473.368 2.673 30 10 JFEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2sccc2[C@H]1CC 1740993659 BJHZMXPJBPDYOE-QGZVFWFLSA-N 463.629 2.577 30 10 JFEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(S(=O)(=O)CC)CC1 1748709415 UUJNPRJMBUQCET-UHFFFAOYSA-N 458.584 2.923 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1748724375 BPHLCKJCWDOGGY-UHFFFAOYSA-N 494.688 2.714 30 10 JFEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1748756857 YFGJPCYCAJRSCC-UHFFFAOYSA-N 463.561 2.801 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1748808490 DGJGIRCVSOXFRM-HYBUGGRVSA-N 468.579 2.689 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1748823902 FGZFWHWKFSWTKL-LJQANCHMSA-N 494.061 2.725 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748914549 KZAULYROMBPIAG-QGZVFWFLSA-N 466.405 2.591 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1748950512 MMRVAZIVOMZAMP-GOSISDBHSA-N 461.513 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2nccc(C(F)F)n2)CC1 1749006280 LUYCMHUIGSFTPM-UHFFFAOYSA-N 455.469 2.588 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2nccs2)CC1 1749018785 FNCCJYRYGDFVIQ-UHFFFAOYSA-N 468.558 2.661 30 10 JFEE C=C(Cl)Cn1c(C2CC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749264948 KCXJCYCDEJMXDH-INIZCTEOSA-N 486.038 2.816 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2Cc2ccccc2)CC1 1749329248 JDVGZMDKSJOMEX-UGKGYDQZSA-N 472.659 2.955 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCOCC1 1749592360 IVBMYMGCJNVOAZ-UHFFFAOYSA-N 478.391 2.595 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1749661085 XSIJQGLLRHTNIW-UHFFFAOYSA-N 475.597 2.738 30 10 JFEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1749667350 YTBVQRYHOISURR-UHFFFAOYSA-N 494.396 2.629 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 1749693324 IATICUPMZIDZDK-RBBKRZOGSA-N 452.603 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCCC1 1749740460 VTRIQAQUFVQURM-UHFFFAOYSA-N 455.378 2.821 30 10 JFEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749746419 YPEPYRPZOBWVBR-HXUWFJFHSA-N 457.600 2.701 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760133828 QXLXKQQKSOSETN-XMMPIXPASA-N 450.543 2.572 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1760191173 CACBFFAYSNYTJC-MRXNPFEDSA-N 468.526 2.538 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(COC)CCOCC1 1760244186 MXCUCTYSIWPUOG-UHFFFAOYSA-N 466.380 2.565 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2c(C)noc2C)CC1 1760271883 PZIAVVXMENXTRU-UHFFFAOYSA-N 452.584 2.744 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760343771 SBDLRLGMIJQRPJ-XLIONFOSSA-N 458.010 2.949 30 10 JFEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1760455418 PCHJBGDJOSJUGP-RDGATRHJSA-N 455.603 2.934 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1760495020 CLELKYZWNLMYCJ-INIZCTEOSA-N 472.036 2.747 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC2(CC1)OCCO2 1760510231 MKYAAJVWPMVNDG-SFHVURJKSA-N 463.579 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(F)c1 1760555718 LJADPIRSBVFJFM-UHFFFAOYSA-N 499.616 2.828 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1760558593 UFWNFOXDCBDUNZ-LJQANCHMSA-N 487.655 2.950 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1761132773 FMDNDYMXBPYLRN-NYVOZVTQSA-N 472.565 2.643 30 10 JFEE COCC(C)(C)CCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769164627 BVAHLDBCAGRRPC-UHFFFAOYSA-N 461.574 2.781 30 10 JFEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1771360960 HQXLGUVGAAXFNO-GOSISDBHSA-N 494.568 2.636 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)CCC4CCCC4)CC3)n2CC(=O)NCC(F)F)c1 1771531196 FNTIWJBTOHPOCP-UHFFFAOYSA-N 499.566 2.817 30 10 JFEE N#C[C@@H](C(=O)CN1CCN(c2nnc(Cc3ccccc3)c(O)n2)CC1)c1nc2ccccc2s1 1859428327 VLSKBQPFNCVTFF-SFHVURJKSA-N 485.573 2.776 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1cc(OC)c(O)c(OC)c1 1864958008 KTZVWGHFFOAQOT-GOSISDBHSA-N 462.506 2.807 30 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Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)cc1 586508364 JKNGHGVFHAFWER-UHFFFAOYSA-N 465.593 2.986 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3noc(-c4ccccc4)n3)CC2)cc1 753586683 BYESVYIOSADKRX-UHFFFAOYSA-N 452.492 2.752 30 10 JFEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cc(OC)c1OC 1083989865 YKWNTPVQJHQWGH-UHFFFAOYSA-N 491.961 2.848 30 10 JFEE CCN(CC)C(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084160937 PLAWDTPXBZXNJZ-UHFFFAOYSA-N 455.592 2.771 30 10 JFEE COC(=O)C1=NN(c2ccccc2)[C@@]2(SCCN2C(=NNc2ccccc2)C(=O)OC)S1 1084162170 NNPRZLOOVXGOGZ-NRFANRHFSA-N 471.564 2.985 30 10 JFEE COc1cc(C=NNc2nnc(SCc3nc4ccccc4[nH]3)n2N)cc(OC)c1OC 1084228133 ATGLTRMYPJKBCC-UHFFFAOYSA-N 454.516 2.632 30 10 JFEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cc1 1084295472 NDPWOADGAQDAEP-UHFFFAOYSA-N 459.919 2.609 30 10 JFEE C=CC1(CC(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)CN(C(=O)OC(C)(C)C)C1 1142379424 PLZXLRLQALNYRP-UHFFFAOYSA-N 453.543 2.661 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1 1148048989 ZHTAWRDSOMPWGC-UHFFFAOYSA-N 458.931 2.910 30 10 JFEE N#Cc1cccc(CNC(=O)CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1 1168939550 AHFYCRILRRDTNX-OAQYLSRUSA-N 452.356 2.819 30 10 JFEE C#CC[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)c1ccccc1 1230564663 BKJZVYKNWAHPTC-MHTWAQMVSA-N 468.554 2.975 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 1230745046 DSNQNQIOGZJKJJ-RTBURBONSA-N 451.589 2.680 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)nc2)c1 1286308811 DNGIIJUAJCJFIS-UHFFFAOYSA-N 466.549 2.906 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@](C)(O)CCOC)c1 1286310008 VXMDUACNHKMSTH-XMMPIXPASA-N 451.527 2.690 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286344692 IQCJZIIWOFCTEG-IBGZPJMESA-N 475.601 2.711 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286380906 INDAVORRLAEMCS-LJQANCHMSA-N 451.493 2.888 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286391441 IMTXQFVKYPLXMU-LEWJYISDSA-N 490.699 2.525 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCC(O)CC1 1286450747 XRTKBPSQYONVOL-UHFFFAOYSA-N 492.649 2.734 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2cccnc2OCC(F)F)CC1 1286489454 TVHFKPSGLHQGFC-UHFFFAOYSA-N 480.519 2.998 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCCN2CC)CC1 1286494719 QIWXVOUJLPAYHB-DEOSSOPVSA-N 492.668 2.912 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCCNS(C)(=O)=O 1286518323 STAIFPGFLIJETJ-QGZVFWFLSA-N 472.434 2.701 30 10 JFEE C=C(Br)Cn1c(COCC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286548051 SZELBPGZDJNFLM-UHFFFAOYSA-N 451.325 2.958 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286603697 IPNZHVJSMHDFHW-IBGZPJMESA-N 470.574 2.547 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1286633988 OZZIZJOTEBJAKT-UHFFFAOYSA-N 453.591 2.633 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286712834 LYEHOCXVUUVOAG-JOCHJYFZSA-N 466.554 2.755 30 10 JFEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286769727 OMTXLKMJCCCPON-UHFFFAOYSA-N 452.515 2.844 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1286776921 LCJRPPVZJKDFRX-UHFFFAOYSA-N 456.547 2.930 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS[C@@H](CC)C1 1286786883 KXLFKBMFLQINRW-KRWDZBQOSA-N 481.626 2.699 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286792140 NETYFRGNQQYHCL-IBGZPJMESA-N 484.601 2.819 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)F)c2)C1 1286810812 WEYCQAMRKVJUDE-ROUUACIJSA-N 452.527 2.947 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286818288 VLCOEDQLNJFVET-QRQLOZEOSA-N 497.017 2.851 30 10 JFEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC1 1290342217 DDFOXIIGBXHJKI-QTYPKTMWSA-N 457.527 2.504 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@@H](C(F)(F)F)O1 1291223277 DERTXFMLXAWCPB-PBHICJAKSA-N 450.465 2.841 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H](C)C2)CC1 1295016849 DCKWEVVTKWHQRB-HXUWFJFHSA-N 499.685 2.847 30 10 JFEE C=CCc1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)c(OC)c1 1295441368 QUOHKXADNMJUSN-UHFFFAOYSA-N 453.539 2.594 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1300376503 LCTZNFDNWPRJGQ-QHCPKHFHSA-N 457.600 2.758 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1300482286 DOPQBAIQJDGVGG-HNNXBMFYSA-N 453.659 2.841 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC[C@H]1OC 1300657738 RRHWUSJMZUKNGT-PKOBYXMFSA-N 463.376 2.845 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(CO)c1 1300657939 VPPRBULQDCAXML-UHFFFAOYSA-N 458.360 2.673 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)OC(C)(C)C 1300676408 PDYUMAIULWGJIH-HDICACEKSA-N 492.621 2.660 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCc2nc(C)no2)CC1 1300689038 PHKCCJKLGHTCKG-UHFFFAOYSA-N 488.365 2.926 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1300727316 WICAALITNYDTLC-GMAHTHKFSA-N 482.604 2.580 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1300844590 PBFBZOWEYNHZSB-UHFFFAOYSA-N 471.359 2.884 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCC)CC1 1300887840 GSMGZLBAJUIWLW-JTHBVZDNSA-N 452.603 2.988 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1300890909 ITCBUPJPDTXHMQ-GMAHTHKFSA-N 452.603 2.896 30 10 JFEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300979506 BLBOKHBUTZUNGE-UHFFFAOYSA-N 461.632 2.960 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301026837 APXDTOFPJGOBGM-UHFFFAOYSA-N 471.953 2.730 30 10 JFEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1301091520 HFDCYOVMVYDATN-UHFFFAOYSA-N 452.603 2.794 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1301339129 HJTBNFMCOBULIB-NQIIRXRSSA-N 455.584 2.671 30 10 JFEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1301444796 ZBIMBZOUPMBSHN-ROUUACIJSA-N 458.010 2.806 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301490458 UCXLWDCPLJFIML-OALUTQOASA-N 490.402 2.702 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1301531574 QMOVHOKBWJNZAA-FQEVSTJZSA-N 475.615 2.603 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2CF)C1 1301555564 CUBYTINMXRDIJL-BSDSXHPESA-N 451.543 2.898 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1301594323 AUQPMUABZPJDDN-CYBMUJFWSA-N 457.572 2.648 30 10 JFEE CC(C)c1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)n1 1302543557 CKTFGQSAGVZZPV-KRWDZBQOSA-N 486.623 2.980 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1303753581 CKNLFXBEIWMWAM-FQEVSTJZSA-N 452.603 2.774 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCN(CC#N)C3)cc2)cc1 1306651946 OKQDXNKJOOWXAD-GOSISDBHSA-N 454.552 2.655 30 10 JFEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)CCO1 1315015321 GTZNNWQZWBACLE-LJQANCHMSA-N 480.594 2.719 30 10 JFEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN/C(O)=C1\N=CC=CC1=O 1358942196 MLXZJLMUBATNHG-MESBPSPMSA-N 450.568 2.727 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1358954920 ASRJLQLYQLGETL-INIZCTEOSA-N 485.532 2.587 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1CCOc2ccccc21 1359018676 YSNDCBSVGQQVKY-IBGZPJMESA-N 460.538 2.968 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)CC1 1359040939 JZFDNPCXVIWKKA-INIZCTEOSA-N 497.003 2.707 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1359041877 LCNORWHVDYZDLS-WXTAPIANSA-N 483.613 2.725 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(N(C)C)CCCC2)CC1 1359043138 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C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(Br)n1 1689959510 BSFFCAYQRZSBIF-UHFFFAOYSA-N 474.388 2.513 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689980749 WRZDWXDMIDWADI-JBACZVJFSA-N 489.617 2.668 30 10 JFEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1689988545 RMFSOVNMYCJWIT-GOSISDBHSA-N 496.637 2.738 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccnc1OCCOC 1690003142 DUTQSXBVCUVHOH-UHFFFAOYSA-N 483.370 2.587 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCCC1 1690102312 IAXFQYPZFSLDOM-UHFFFAOYSA-N 488.633 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690148306 BXRWVQICQNRTOD-VXKWHMMOSA-N 477.657 2.598 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(C)(C)O)CC1 1690152210 CBCMKJAAZMECRI-UHFFFAOYSA-N 453.587 2.601 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690180539 HMQSOYNCJUNSAT-HSZRJFAPSA-N 453.656 2.978 30 10 JFEE 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2.918 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 1722388441 XVSXCYFTLLXKNT-PMACEKPBSA-N 469.586 2.966 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1ccco1 1722421488 QYCBMDFNFWRAPY-UHFFFAOYSA-N 478.372 2.878 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1722443477 UBVBOTPNLSGEPX-UHFFFAOYSA-N 498.075 2.590 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@H]1C 1722468113 IUZJEKRUUZCWEX-IIBYNOLFSA-N 461.408 2.759 30 10 JFEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1722482843 CYPLRVKCVTYICW-UHFFFAOYSA-N 473.375 2.792 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1722492758 UOGAJQFNPLQPLN-PWHSHALESA-N 487.576 2.833 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)OCCc3sccc32)CC1 1722559582 BRCIXVUDKYZEIO-FOIQADDNSA-N 451.618 2.594 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722587977 HENSAQDSAIBLON-GOSISDBHSA-N 484.688 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N#Cc1ccc(CNC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(F)c1 729822299 QKXVXTGVEPOWBW-UHFFFAOYSA-N 468.963 2.858 30 10 JFEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc(Br)cc1)n2C[C@H](O)c1ccccc1 1081077658 QXYFIFIFKLWQCV-INIZCTEOSA-N 483.326 2.778 30 10 JFEE COc1ccc([C@H](C#N)N2CCN(C(=O)CSCC(=O)OCc3ccccc3)CC2)cc1 1166100836 FBFZOASKKRYRTO-QFIPXVFZSA-N 453.564 2.881 30 10 JFEE CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1cn(CCC#N)nc1-c1ccncc1)C2 1181738580 BKLYGIXSZBDHIP-UHFFFAOYSA-N 450.568 2.667 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCn1cc(Br)cn1 1286273199 HIDYMULUXZPIHJ-OAHLLOKOSA-N 471.363 2.823 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286291121 VWNDGYNHBGNTCY-HOTGVXAUSA-N 456.547 2.863 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2Cc2nccs2)c1 1286308134 FWGSOGMHZGNHAX-UHFFFAOYSA-N 465.583 2.758 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCc2cnn(C)c2)c1 1286308814 DPWCJOPIYFACAE-UHFFFAOYSA-N 454.538 2.763 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387387 DBSRHQSMFWQMRY-GOSISDBHSA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1286389454 KHKIYXDGNMCQGS-IBGZPJMESA-N 456.959 2.510 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1286390075 WETKKECGEAEJMV-MRXNPFEDSA-N 477.537 2.725 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(F)cccc1SC)[C@@H]1CCS(=O)(=O)C1 1286394163 NRKFBERTOGYFDX-IAGOWNOFSA-N 478.615 2.708 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1286453753 BMVMBDCJODFNIZ-SANMLTNESA-N 485.604 2.820 30 10 JFEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CC[C@]2(CCOC2)O1 1286457027 DBOKRENZVIMAJO-XLNZFTOWSA-N 458.534 2.981 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccccc1Cl 1286460739 IRUOIUBEWXTFOO-QHCPKHFHSA-N 468.945 2.573 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@]2(O)CCSC2)CC1 1286475891 JXISVDQBIKQVPZ-VWLOTQADSA-N 485.654 2.756 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 1286487935 IJONVKYNPRJMNU-GOSISDBHSA-N 498.603 2.685 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCOC2)CC1 1286489051 DBLGUIBVDXCAEI-INIZCTEOSA-N 472.387 2.710 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1286547495 GWVNMHPGEUCRMA-HNNXBMFYSA-N 483.411 2.960 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1286549017 VXJOXVCKYSFTCQ-OXJNMPFZSA-N 465.558 2.683 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1286652770 LAONBERVGDPGRS-UHFFFAOYSA-N 465.646 2.637 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCc2ccccc2)CC1 1286662977 CUKYZRZRUVMWBT-OAQYLSRUSA-N 491.683 2.947 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1286757746 VHRWODWYMXIPSO-UHFFFAOYSA-N 453.609 2.616 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CCN1CCCS1(=O)=O 1286760570 OROWHQPGUSDYBE-UHFFFAOYSA-N 454.600 2.554 30 10 JFEE 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455.927 2.738 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507632642 OPDXLSZYEJYXMV-RBUKOAKNSA-N 477.631 2.572 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507702988 YTEBYFDLYAJBPW-IZHYLOQSSA-N 485.523 2.569 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCCCO1 1507710050 BYCYCJNQBMNPJV-PMACEKPBSA-N 477.606 2.632 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)CC1 1507721966 WCCMBXKXSRFVNW-UHFFFAOYSA-N 450.008 2.569 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCSC2)CC1 1507740485 MXPSWGKNULLKBU-LJQANCHMSA-N 453.612 2.884 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1507753060 ICLPSZMNMMNUOD-NRFANRHFSA-N 466.655 2.868 30 10 JFEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 1507775068 HTDBAPOYYOKZAP-MRXNPFEDSA-N 484.782 2.622 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)CC1 1507902960 QPCBCCQBQUDHSF-UPTQXZAWSA-N 467.636 2.758 30 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30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1300392104 ZNJKDVGQNGXEFK-OAQYLSRUSA-N 470.643 2.673 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1300488811 GXIDJWHYGGEQOC-LJQANCHMSA-N 485.635 2.896 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1NC(=O)CC1(C)C 1300519762 AUULIOIYKKGWAD-KRWDZBQOSA-N 458.335 2.834 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC(C)CC1 1300618562 ILPNADWWKKMMDO-LJQANCHMSA-N 457.648 2.818 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1300663460 CJLUNKOVUZUSOH-SFHVURJKSA-N 488.589 2.641 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(C)(C)O)c1 1300663778 IPYBYTVNGCEIFE-UHFFFAOYSA-N 496.637 2.600 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(Cl)c2)CC1 1300707190 BOIGJFTZDNMIES-UHFFFAOYSA-N 453.978 2.627 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCN2CCC)CC1 1300708546 UFFHQZIINGVEGM-QHCPKHFHSA-N 461.614 2.748 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1539475414 FLROGYHGBGJXBC-UHFFFAOYSA-N 471.487 2.896 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539629168 WIUXHRNUDHHYJU-NFBKMPQASA-N 498.653 2.988 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](COC)C1 1539751370 LYXCVNOLPPHTBY-UXHICEINSA-N 479.622 2.837 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCOC2)CC1 1539888186 MYGBQKRWJAQSLT-NTKDMRAZSA-N 461.607 2.946 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-n2cncn2)nc1 1540194680 XWPQBRFPXOCKTR-UHFFFAOYSA-N 451.922 2.656 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1540199265 YADGXRMGGWVDRN-OALUTQOASA-N 490.649 2.946 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 1540897479 KEWNJADXHWVTJH-JTSKRJEESA-N 464.563 2.775 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[C@@H]21 1540898483 LYUXNNOSQCAJQR-HIFRSBDPSA-N 454.394 2.636 30 10 JFEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1541069230 BRUUHDBPCWYLOP-GCJKJVERSA-N 466.586 2.896 30 10 JFEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(OCCc2ccccc2)nc1 1543422089 AHZNQJMIWOQZNK-UHFFFAOYSA-N 450.520 2.770 30 10 JFEE Cc1cc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@H]2C(N)=O)nn1C 1548379935 MASVEAQSLZCRDW-IBGZPJMESA-N 474.487 2.606 30 10 JFEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1cc(C)nn1C 1548380424 ULXSETOBPXWHDQ-HXUWFJFHSA-N 488.514 2.866 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCCCC1 1587579350 FLFCMSKSGGQCGW-LJQANCHMSA-N 472.659 2.918 30 10 JFEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1587803522 DSMMAKHECUUHCJ-UHFFFAOYSA-N 453.547 2.845 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1587861300 JORUIBZFFFYFTL-RTWAWAEBSA-N 490.649 2.547 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588045724 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1594732283 BNSCFVMLIGECLE-RTWAWAEBSA-N 475.615 2.545 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1594913656 MDFVICFPVCEVOV-UHFFFAOYSA-N 456.591 2.527 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C)C1CC1 1595055088 YWLVVHVJYFYMII-SFTDATJTSA-N 474.631 2.601 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC=C(Br)C1 1595594815 PVQPOVDNEOMYBJ-UHFFFAOYSA-N 462.348 2.657 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)Oc2ccccc2F)C1 1595722602 LQCUVTAPGJLGCB-CEXWTWQISA-N 478.590 2.958 30 10 JFEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1595850570 PNDDQLSMWADSSX-UHFFFAOYSA-N 460.629 2.644 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595906036 WJERWQFTKMFGGL-QZTZHPFYSA-N 490.674 2.930 30 10 JFEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1614499860 FUISPONCTPNZSM-DEOSSOPVSA-N 464.662 2.765 30 10 JFEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1(C)C 1616539236 GBFHZCKATWUJCZ-SFTDATJTSA-N 464.574 2.631 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1618903500 BQYZSDFQVBCDKS-HSZRJFAPSA-N 482.566 2.586 30 10 JFEE C#CCN(CC(=O)NC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1)C(=O)OC(C)(C)C 1621088092 MROZTKHMFCFWRN-UHFFFAOYSA-N 459.543 2.942 30 10 JFEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1624839761 VECMLKRRWIEQNS-OAQYLSRUSA-N 458.603 2.697 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)s1 1627139948 SHDWJKUAQPKQQE-OAHLLOKOSA-N 457.618 2.661 30 10 JFEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC3(CC2)C[C@@H](O)CCO3)cc1 1648411785 AULGGQMDWBFHRA-FQEVSTJZSA-N 452.555 2.919 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@](C)(CO)c2cccc(Br)c2)c1 1657304035 OAMSQRGMPQTYGH-LJQANCHMSA-N 453.358 2.551 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)cc1 1665969892 SNOWLVSUJNACRN-HXUWFJFHSA-N 451.589 2.572 30 10 JFEE 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1690254043 WJIBETUQOHZCIB-FKVLARQCSA-N 458.651 2.546 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690420637 QUYOVRGCOCACRC-OAHLLOKOSA-N 462.396 2.862 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1690497091 HDTYAJFIXOEBLW-UHFFFAOYSA-N 463.586 2.695 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690658848 BNRGXINCNIRASK-GOSISDBHSA-N 479.629 2.760 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1690675355 YEMZWICSFHVJRE-UHFFFAOYSA-N 476.581 2.666 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(C(F)(F)F)c2)C1 1690709877 MEUIBOLTIIKDST-INIZCTEOSA-N 450.465 2.644 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@@]2(C)C3)nnc1[C@@]1(OC(C)C)CCOC1 1690731224 DKDLIFXVTQCNHK-BVYCBKJFSA-N 452.621 2.688 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CCO1 1691256329 GJWLOLVWZSAQSE-HXUWFJFHSA-N 482.585 2.852 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454.600 2.735 30 10 JFEE C=CCCCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1705823070 AIBVBFZSEGUKBR-FQEVSTJZSA-N 459.513 2.791 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1705829707 AMXSZUHUANYECD-OALUTQOASA-N 477.606 2.627 30 10 JFEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705832076 MCSRUQDPXLHICJ-SFHVURJKSA-N 460.966 2.659 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[C@]3(CCC(=O)N3)C2)cc1 1705910365 ZWMNXTJXVBBRIK-RUZDIDTESA-N 466.586 2.669 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705910401 AVPSAVPHWWGBOY-GOSISDBHSA-N 494.600 2.604 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CNC(=O)c3ccccc3)C2)nnc1C(C)(C)C 1705939059 QZTGEPADSVEEQM-LJQANCHMSA-N 473.643 2.823 30 10 JFEE CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1706149826 HVLUVGSMKTWDLV-UHFFFAOYSA-N 451.619 2.584 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1OC 1711774217 BFYXNWIKDUGZMI-WMZOPIPTSA-N 486.573 2.946 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1722295850 YMAMLYJGKLQQTL-GOSISDBHSA-N 471.565 2.753 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CC)c1 1722305091 MFBWCCFTUVCCRI-DQEYMECFSA-N 469.586 2.536 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722358001 BXDVHERTGHJCNF-JOCHJYFZSA-N 499.637 2.591 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2([S@](C)=O)CCC2)CC1 1722449179 HSBOODKQOBHOJE-DHUJRADRSA-N 497.665 2.741 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722496579 LVYNVXDZGDUZQR-BQFCYCMXSA-N 464.492 2.826 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722529774 CAAPWAATKNWYRO-UHFFFAOYSA-N 499.612 2.630 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1722560446 ZYEKTMFJVGNCQY-YDZRNGNQSA-N 494.662 2.548 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722693920 FIJPXSZMEWTCPN-ZIAGYGMSSA-N 466.405 2.934 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1722702321 HQHAYAIWBWWAAR-IBGZPJMESA-N 475.553 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722725394 KTWCQLUTSRKVFM-QGZVFWFLSA-N 472.546 2.523 30 10 JFEE COC1(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1729935520 CIVRJXXGZYVACK-NRFANRHFSA-N 476.578 2.597 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1731180319 AGLKTOOLMHCYOG-KSSFIOAISA-N 473.452 2.569 30 10 JFEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740589237 SHKMVOAKHZZDDV-UHFFFAOYSA-N 487.486 2.902 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](Cc1ccccc1)OC 1740601648 HBTQTKMQABDIOW-FQEVSTJZSA-N 466.611 2.874 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740614285 LVXXLYNDNIBFEJ-SFHVURJKSA-N 450.522 2.566 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1740619469 OXKXODBXKRJIRS-TWMPVWRBSA-N 487.582 2.685 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1740625312 PUEDMHYMFBGSAE-FQEVSTJZSA-N 469.636 2.812 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCC 1740671495 ILTXDYHKHHZMNE-PMACEKPBSA-N 460.623 2.920 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2sccc2Br)CC1 1740697984 LFALEKZPIDLTQG-UHFFFAOYSA-N 457.401 2.891 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1740711352 LTHYBEQLAUOEPY-KRWDZBQOSA-N 477.656 2.566 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)C1 1740752742 AGHMXQBWSYVYPK-MLGOLLRUSA-N 452.378 2.687 30 10 JFEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740779864 IBRBKMJAFVZHGS-AABGKKOBSA-N 487.626 2.956 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(OC)c2)CC1 1740840452 ZCJKDQBYVZZSFD-LJQANCHMSA-N 460.600 2.843 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1740952418 DLFHTRBYECRMKN-MOPGFXCFSA-N 456.566 2.924 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnn(CC)c2)C1 1740970753 QAZKOGQFSKMAOC-FQEVSTJZSA-N 469.977 2.908 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCSCC2)C1 1740975264 UJAKKPBRHCLWGI-INIZCTEOSA-N 467.437 2.866 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740986951 LNGKCPKIVITQMZ-QGTPRVQTSA-N 496.973 2.786 30 10 JFEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1741880321 DQLLXYHZFGESFY-AHRSYUTCSA-N 495.584 2.912 30 10 JFEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCC(F)(F)F)CC2CC2)C1 1748047106 AKNJZADGHVNUNI-JOCHJYFZSA-N 478.519 2.964 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1748643024 SRPDBUJDPIHSCQ-HOYKHHGWSA-N 457.550 2.654 30 10 JFEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1748711932 CMDCEMUQHDFAKF-UHFFFAOYSA-N 490.612 2.891 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748804478 IIFIUKBFKCYHBT-WOJBJXKFSA-N 497.587 2.941 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748805441 RVQFLRKNKFUCPF-RTWAWAEBSA-N 486.638 2.967 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748808448 CCQNDBZUCJYYPS-NZSAHSFTSA-N 458.584 2.635 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748819299 MGZPQNBZCXCSOT-HXUWFJFHSA-N 485.635 2.708 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC1CCCCC1 1748929965 UJHAXCQZKWNTRP-FQEVSTJZSA-N 488.633 2.885 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1749019543 YSPLLOLDNZHRDR-BWKNWUBXSA-N 493.608 2.813 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749129928 IILLBNQTELWHRM-XXBNENTESA-N 485.633 2.905 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(OCCOC)CC1 1749256146 VXVFESKXECTBRI-UHFFFAOYSA-N 484.022 2.580 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1749536706 VOMGGDGKJUBECL-REWPJTCUSA-N 460.600 2.558 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1749539152 VCOCKOXECXORFI-UHFFFAOYSA-N 481.626 2.909 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1749730389 CBHMZGWLVKODAC-MOPGFXCFSA-N 470.643 2.957 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)N(C)C 1760099565 IPXRMTNSEDFVBV-KRWDZBQOSA-N 454.600 2.702 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCSCC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182333 IPGJMQFANXMPIO-LJQANCHMSA-N 479.716 2.564 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nnnn1CC1CC1 1760213807 RVPGPOFOBQUEMA-UHFFFAOYSA-N 479.386 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1760266393 XJMVQHIURWUUSY-HFJWLAOPSA-N 498.628 2.693 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1760267353 JJIVIYRKXUDJLY-OAQYLSRUSA-N 473.625 2.903 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1760285824 RWGMQAJNGAGAEP-SFTDATJTSA-N 458.584 2.616 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760310609 ASWNUIWMISMOSF-IBGZPJMESA-N 467.437 2.843 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1760320234 UHKLUQJLEZPGPF-UEXGIBASSA-N 455.559 2.645 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760360925 OMMRNVSEUUKEEQ-RRQZXNHTSA-N 488.633 2.604 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1760475336 CSBVXNXQEMKALU-QFIPXVFZSA-N 480.613 2.974 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1760489582 ICJYYGFMADRMQK-ISKFKSNPSA-N 465.646 2.868 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1760514998 IXPGEBVVCGLHKH-OAQYLSRUSA-N 489.349 2.575 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760515930 HWOYSCKMOLIDMC-ZWKOTPCHSA-N 467.549 2.977 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1760556451 DTVWKURHNHVYSP-UHFFFAOYSA-N 478.590 2.731 30 10 JFEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760564332 WFIZOESFJVYLIE-UHFFFAOYSA-N 476.603 2.982 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCOc1ncccc1Cl 1761465471 DBNAMVYVYHNHEL-OAHLLOKOSA-N 489.989 2.524 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCC(C(F)(F)F)CC1 1761477361 CICBSLXKMCUOKC-JEYLPNPQSA-N 462.542 2.997 30 10 JFEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1762404260 DFLCZJYMDOSFJB-NRFANRHFSA-N 452.603 2.916 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1766993877 DQEGNMXBZGQVCQ-UXHICEINSA-N 473.599 2.701 30 10 JFEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N2CCN(c3ccccn3)CC2)n2ccccc12 1858242588 BAXKENDHFTTYFU-UHFFFAOYSA-N 451.490 2.816 30 10 JFEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 1858659454 PQOKJSHZOVYVGR-UHFFFAOYSA-N 488.522 2.606 30 10 JFEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 1858975461 BQUGPIIRHGKMHM-UHFFFAOYSA-N 477.970 2.836 30 10 JFEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862610830 VELJTERWPWQNMA-HSZRJFAPSA-N 480.517 2.961 30 10 JFEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)ccc1OC(C)C 1862635279 GHTWWKLFLMGTGS-QHCPKHFHSA-N 496.516 2.926 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2C 1864325350 IOTVNYXWPUWKLO-IIBYNOLFSA-N 490.560 2.852 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1cc(OC)c(OC)cc1OC 1864872762 OWOYZIPRWAZXFF-IBGZPJMESA-N 456.543 2.878 30 10 JFEE CC(=O)Nc1cccc(C(=O)Nc2c(C#N)nnn2Cc2cc(Cl)cc3c2OCOC3)c1 1870108172 SVMMWTXYDXKEME-UHFFFAOYSA-N 452.858 2.929 30 10 JFEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCCCO 1870233946 OSKACGNVXFEUAL-UHFFFAOYSA-N 454.556 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C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1286827248 IDBYUGNVFMMZJW-UHFFFAOYSA-N 469.615 2.942 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1ccco1)N(C)C 1286959802 AXWARJAWLILYSQ-FXAWDEMLSA-N 485.614 2.687 30 10 JFEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1287119695 CXJBUJPZBBHEGO-MGBGTMOVSA-N 468.627 2.859 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1288942353 AFGVVKWHMNCCJH-QRWLVFNGSA-N 466.995 2.751 30 10 JFEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1297321722 IFJKAGHYSRYQQB-WOJBJXKFSA-N 453.008 2.643 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1298926581 APXVHIDJIITAFI-UHFFFAOYSA-N 484.626 2.527 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C(C)C)N1CCOCC1 1300276767 QVSBLLPMEMLFOS-AZUAARDMSA-N 471.602 2.786 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC(=O)NCc2ccco2)c1 1300334293 LAMLFSGLNFQOAV-UHFFFAOYSA-N 462.554 2.832 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1300381663 VJDIYIIGSFLSSQ-UHFFFAOYSA-N 468.911 2.959 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC1(c2cccc(OC)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1300478713 AKENKVCCDAOIBY-LJQANCHMSA-N 456.612 2.943 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1300484619 UGSMGPLCRBTITA-OAQYLSRUSA-N 490.695 2.985 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCO1 1300559172 KZAZQNZKGKMHMF-IBGZPJMESA-N 454.600 2.579 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccn(CC)c1=O 1300666057 SFFUZGOLELKUDE-UHFFFAOYSA-N 498.628 2.709 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@](C)(O)c2ccccc2)CC1 1300728628 CEIUGBQLQAGZCO-AREMUKBSSA-N 492.649 2.897 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCC(NC(C)=O)CC1 1300751499 KPLXOQWFUSPKDI-UHFFFAOYSA-N 455.584 2.924 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300765194 ARDXTHKYPSIPKX-UHFFFAOYSA-N 460.563 2.779 30 10 JFEE 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30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1301592659 BFTRRJWDHAPDEY-IBGZPJMESA-N 477.606 2.662 30 10 JFEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301597181 KZEHXUSLVAHNJK-UHFFFAOYSA-N 477.034 2.691 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1303939425 FDAQPUWJDLGZNP-XMSQKQJNSA-N 477.034 2.934 30 10 JFEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)C)C2)c(=O)n1C 1304362660 HQNFTRFTOIYHNF-JOCHJYFZSA-N 462.554 2.645 30 10 JFEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCC(=O)NC(C)(C)C)c2ccccc2c1=O 1313962202 ICTFWVWGUQCJQX-UHFFFAOYSA-N 476.585 2.720 30 10 JFEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCCC2)CC1 1316539623 FGZMBKLYOGJMEM-UHFFFAOYSA-N 464.574 2.848 30 10 JFEE COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1C(=O)OC 1354877080 GPRXLWJODKUURY-CYBMUJFWSA-N 455.854 2.776 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358956158 BGODGVHLIXDDBU-NRFANRHFSA-N 497.665 2.537 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1358961825 FTEFHXITNDQCPY-HXUWFJFHSA-N 489.642 2.740 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358990890 GJSPNHJHWAEVLK-RUZDIDTESA-N 485.636 2.842 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCC 1358994703 URIBUMWAWBZBSV-HXUWFJFHSA-N 459.591 2.866 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358997341 OUBRZTTWWZWBBP-RUZDIDTESA-N 485.636 2.687 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(N(C)C)c1 1359025609 UCXATKHHUKLWDV-QFIPXVFZSA-N 498.628 2.787 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C2CC(C(C)(C)C)C2)CC1 1359031525 GAVSWHHLTMLHTI-UHFFFAOYSA-N 484.670 2.948 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(OC)cc2)CC1 1359045225 ZZHALXIZOYKDFY-JOCHJYFZSA-N 467.570 2.573 30 10 JFEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359080021 CTGZIPQWQBMIAA-NVXWUHKLSA-N 472.343 2.762 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359087351 BYVUHQDSUFIFGX-HNNXBMFYSA-N 485.404 2.788 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1359108675 YIXWNQMJFZVPJQ-IBGZPJMESA-N 474.631 2.513 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](OCCOC)C1 1359117996 IBKPWKKJXFXDAM-SFHVURJKSA-N 462.620 2.755 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359157873 WXLYCTIDYUJJMT-ZVZYQTTQSA-N 469.995 2.599 30 10 JFEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1359289841 OVLUVHOWILGUPT-UHFFFAOYSA-N 465.558 2.957 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359295987 SUNJXXJLUDKQLV-SFHVURJKSA-N 483.491 2.811 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1359311330 XXUYPJBTYLAQLX-YKSBVNFPSA-N 453.543 2.661 30 10 JFEE C[C@H]1CN(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)C[C@@H](C)O1 1359466788 HYRZZYPCIOLQDC-GBESFXJTSA-N 488.036 2.957 30 10 JFEE N#Cc1ccc(F)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1 1444740121 ARUFOFXWVUBOGM-INIZCTEOSA-N 451.907 2.738 30 10 JFEE CCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccc(C(=O)N(C)C)cc1 1459451079 DKTWSYFCLYAKQQ-NRFANRHFSA-N 453.612 2.681 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)s1 1492435846 BLGKVOQISHQXPA-JOCHJYFZSA-N 485.639 2.742 30 10 JFEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1503382536 FYDXTRBALUVTME-SFTDATJTSA-N 463.567 2.822 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(N(C)C)CCOCC1 1507531250 BZNIFMJSJGOZBG-IBGZPJMESA-N 474.650 2.961 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1507538841 PMBLBNINMZPMOM-WBVHZDCISA-N 463.970 2.595 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(CCC)C2)c1 1507550629 NNTZHXPOSOGZLP-YADHBBJMSA-N 464.614 2.960 30 10 JFEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507560476 HYUIYJCTORJYJE-WWNPGLIZSA-N 456.635 2.702 30 10 JFEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1507562123 VXLAUJJHRPREIO-HXUWFJFHSA-N 452.534 2.524 30 10 JFEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1507625113 GJQXJFNLBTWTMT-LJQANCHMSA-N 490.651 2.578 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1507632557 NFQGZWPDYJHGON-IEBWSBKVSA-N 480.993 2.834 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1507659190 MSCVAVVFIPKXBO-CEXWTWQISA-N 467.536 2.533 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCn2ccnc2C1 1507714374 NJFDSANKQSMVDB-SLFFLAALSA-N 483.617 2.594 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@H](OCC)C(C)C)CC1 1507722986 QFSGNIORKQSEOO-NRFANRHFSA-N 453.587 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507734573 OTTAJFSQXGRUDX-RUZDIDTESA-N 492.668 2.830 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cccn2)CC1 1507734709 UTWIGFXBRIQLOE-UHFFFAOYSA-N 483.523 2.799 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)COc2ccccc2OC)CC1 1507737673 BUDVBRBTTHXWET-RBBKRZOGSA-N 495.624 2.862 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507751971 QSEGNABFHUOCMG-QGZVFWFLSA-N 452.588 2.590 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507796408 OZEBZAOKQAFRJQ-PXNSSMCTSA-N 495.049 2.883 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1507797465 DIHQVHLULRQEAJ-SBHAEUEKSA-N 474.606 2.515 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 1507802308 AXEXXMPLOXDVLE-VKJFTORMSA-N 469.011 2.554 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507803334 BBQVKEYXBIOSNE-KNKQGSTJSA-N 472.634 2.513 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507898081 ORLZWLDMRCMHIJ-FQEVSTJZSA-N 481.416 2.660 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(N)=O)CC1 1507939607 OXZACROCDAPAMD-UHFFFAOYSA-N 459.620 2.605 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1([S@@](C)=O)CCC1 1507998559 HCQPSSZDZSZXNM-MGBGTMOVSA-N 466.611 2.766 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508131999 TVTRWXGZKCUZSR-IAGOWNOFSA-N 496.033 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1508143517 HIRZKSULYXXWGX-UHFFFAOYSA-N 492.696 2.618 30 10 JFEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1513146031 BJWAFIHATSTIJB-RXVVDRJESA-N 458.632 2.951 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539212277 OOVOQAPGKIWYBZ-UYAOXDASSA-N 459.616 2.738 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539213123 WCUMMTDVHCGDDC-HXUWFJFHSA-N 456.612 2.784 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539225629 PTXYEMDQEJFHNK-KRWDZBQOSA-N 493.561 2.602 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(NC(C)=O)c1 1539363034 IVFZHDJJYNWCTJ-UHFFFAOYSA-N 465.583 2.704 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C2CC2)N(C)C)CC1 1539474515 RYFJVWQCHZUKSG-NRFANRHFSA-N 485.032 2.913 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)NC)CC1 1539499469 KWHLHQNKPKJAPD-UHFFFAOYSA-N 493.431 2.544 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1539847586 IDBWTLRBBUQSDX-QGZVFWFLSA-N 461.554 2.611 30 10 JFEE C=CCC(C)(C)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539929298 RMGGTDJSMRFXHD-GCJKJVERSA-N 454.637 2.934 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1540161733 INIKNRWIIMOJSJ-PMACEKPBSA-N 477.617 2.987 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](SC)C1 1540871248 HMRASLBRIYSBIS-QZTJIDSGSA-N 494.662 2.611 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1540877123 LIAUVIVWHZRMFA-UHFFFAOYSA-N 482.972 2.902 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1540878474 YGRGLMCHQSXVND-UHFFFAOYSA-N 484.626 2.757 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1540904093 KQGKHMZLIJFBDT-UHFFFAOYSA-N 488.507 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC1 1540908746 MYDGKWGCOQCZRC-KRWDZBQOSA-N 453.609 2.940 30 10 JFEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)cc2)nn1 1542178678 GAMBKYKKCQJKQA-UHFFFAOYSA-N 457.512 2.925 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1544936647 BSAKYHNAGVRMAX-IBGZPJMESA-N 452.573 2.634 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCc1cnn(C)c1 1548170637 ARCREBCCNBKUTH-UHFFFAOYSA-N 452.538 2.518 30 10 JFEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccc(OC)cc1 1548371135 XKQTXLQOFUYHPI-OAQYLSRUSA-N 490.482 2.679 30 10 JFEE CNC(=O)[C@H]1CN(C(=O)c2cnc(C)cn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375374 KFAISFYVDVYYAH-LJQANCHMSA-N 486.498 2.780 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCC[C@@H](C)C2)c1 1587697653 WEMHXZOSHNRECN-RTWAWAEBSA-N 491.640 2.577 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1587905230 YDCRXAVCRJUPRH-KRWDZBQOSA-N 465.558 2.784 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588046053 WDZSWJZMPPGSAU-FPOVZHCZSA-N 480.638 2.850 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C2CC2)CC1 1588193825 MGZDHKSIDSAJAL-UHFFFAOYSA-N 451.596 2.849 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1c(C)noc1C 1588281179 ZONIGNLMQDNPGK-UHFFFAOYSA-N 456.572 2.502 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ncccc2N(C)C)CC1 1588946256 AHYAYCTWACEPHI-UHFFFAOYSA-N 471.609 2.652 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1588947879 XTUZXGHAPLYOLH-UHFFFAOYSA-N 494.615 2.622 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1589027971 VXTUFVKQNOWVAJ-OAHLLOKOSA-N 455.005 2.597 30 10 JFEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589434281 BNIOYIGQOOXEDG-UHFFFAOYSA-N 482.448 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589502966 ASMCMPOWKQHZGR-YADHBBJMSA-N 484.626 2.564 30 10 JFEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2CCOC[C@H]2C1 1593718055 OSVHGSFRHNDXDK-QGZVFWFLSA-N 480.382 2.960 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1594036942 ZFKULUGPIUHTRZ-HSZRJFAPSA-N 490.699 2.789 30 10 JFEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594650766 ALAAUDJAKCLTKU-SFHVURJKSA-N 456.522 2.825 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595496960 MFDCFPGCBIOKQU-JOCHJYFZSA-N 490.402 2.784 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCOCC2)C1 1595673242 GGJIKJIFCQGZJJ-JOCHJYFZSA-N 468.602 2.651 30 10 JFEE C=CCn1c(SCC(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)nnc1-c1ccc(Cl)cc1 1595940929 GUSMOOCBLKDZSQ-CQSZACIVSA-N 458.979 2.871 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC 1606592611 QGKUUCVGRPZEJY-QZTJIDSGSA-N 453.580 2.778 30 10 JFEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1611108776 ARWARSPETSICOK-GGAORHGYSA-N 452.603 2.915 30 10 JFEE CCN(CC)[C@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 1615366485 FIOKEVUGCYMZJX-HSZRJFAPSA-N 461.618 2.910 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)Nc1cccc2ccccc12 1616134223 JXKNLJUNIGABCO-YXPKMTABSA-N 479.514 2.773 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 1626509048 MKMLWJHMDWUIDW-KRWDZBQOSA-N 457.980 2.979 30 10 JFEE C=C(C)CCNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1637123565 KLIMWEAIQRWMSA-UHFFFAOYSA-N 454.184 2.962 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CCN(C(=O)c3cccn3C)CC2)nnc1-c1ccco1 1641123099 BPJWJPMSRARPJP-UHFFFAOYSA-N 454.556 2.529 30 10 JFEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 1644252041 QSCDQXQUSWPDRX-ZRNYENFQSA-N 451.608 2.894 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C[S@@](C)=O)cc1 1649538953 IPFGJYVZAYFPKL-TXULOHPCSA-N 498.678 2.931 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)n(Cc2ccco2)c1C 1652914609 GZUHRRHYAXXUJE-FDDCHVKYSA-N 452.603 2.514 30 10 JFEE C=CCN(CC=C)[C@H](CNS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(C)C 1654982441 DANYHDMLEBASCB-MRXNPFEDSA-N 456.410 2.777 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1663330997 RTULCHSFNLIOBO-KUHUBIRLSA-N 451.365 2.830 30 10 JFEE C#C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)c1ccc(Br)cc1 1664133300 KQJNQGSUEAPYFT-HNNXBMFYSA-N 453.270 2.797 30 10 JFEE C#CCN1CCC[C@H](NS(=O)(=O)c2c(Br)cc(F)cc2Br)C1 1664135533 MUMURLGCOZRUFQ-NSHDSACASA-N 454.159 2.727 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 1671489801 BHORCLKGPVGDFC-VNQPRFMTSA-N 453.337 2.541 30 10 JFEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)c1 1678975322 GKCSNTRQIQKCCB-IEBWSBKVSA-N 456.547 2.875 30 10 JFEE C#Cc1ccc(CNC(=O)NC[C@@H](O)COc2ccc(I)cc2)cc1 1682509324 PQTJGTUPHJKGTP-QGZVFWFLSA-N 450.276 2.512 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689938157 BTDWMAMBYMNYAZ-RDGATRHJSA-N 478.641 2.958 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689984462 PWOPOKNRHJMXKC-BSWQBHCVSA-N 481.622 2.917 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn2ccccc12 1689999782 IGFPOIJVSBZFMC-UHFFFAOYSA-N 457.925 2.630 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccncc2Cl)CC1 1690135011 OIZKCFNCYRREHM-KDURUIRLSA-N 486.020 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[S@@](=O)C(C)(C)C)CC1 1690140313 UJKFTQBDTIGYRV-JGCGQSQUSA-N 455.628 2.767 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCCNC(=O)OC(C)(C)C)CC1 1690144390 XJDCTKKRUQLBHH-UHFFFAOYSA-N 495.628 2.919 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(CCS(C)(=O)=O)C1CC1 1690250961 NNXQMNJVCPDCSA-FXAWDEMLSA-N 450.630 2.925 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)COC)CC1 1690254109 XNFBEBKLXXFTHI-PXDATVDWSA-N 483.613 2.696 30 10 JFEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690292700 MPSWVNGEAVFZGL-JOCHJYFZSA-N 466.630 2.999 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690315548 DZVQVVSKKHHUGG-UHFFFAOYSA-N 452.519 2.803 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(N(C)C(C)=O)CC1 1690676450 ZZZRFEAIHZKCQW-UHFFFAOYSA-N 495.411 2.913 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1690684805 OQUOYTBIPLPPBK-IBGZPJMESA-N 482.585 2.899 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCCc1ccccc1 1691328402 AGIMDOSNHFWDKS-DZRGJMJISA-N 468.577 2.998 30 10 JFEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1 1693683049 HMLQZLSBSXKNGU-CEXWTWQISA-N 458.632 2.806 30 10 JFEE CC[C@H](C)N(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1694209899 DZBYZLGJDJJJSS-IBGZPJMESA-N 499.063 2.982 30 10 JFEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1694410137 DFLCZJYMDOSFJB-OAQYLSRUSA-N 452.603 2.916 30 10 JFEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1694423241 AKUNROOKJRADMZ-UHFFFAOYSA-N 475.615 2.683 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1695588013 HWIGSGXQSIJLGB-YADHBBJMSA-N 466.586 2.850 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(OCC)c1 1696335775 BZLWCGYEOUMOTP-SFHVURJKSA-N 462.558 2.638 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC[C@@H](C(F)F)N2CCOCC2)c1 1705505151 JXBBATHOUJVYKQ-FQEVSTJZSA-N 472.540 2.568 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1705523588 SRKFISHQTKSJCU-SFHVURJKSA-N 451.575 2.716 30 10 JFEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705536545 RJOPXDYNFRTCNG-UHFFFAOYSA-N 462.529 2.544 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1705562653 HGCRRYGGTHAUCH-INIZCTEOSA-N 479.393 2.844 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1705571775 HUYMAFOVTQRQEI-XZOQPEGZSA-N 485.654 2.646 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1705593517 CONYAMJUILUUPQ-SFHVURJKSA-N 484.398 2.665 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1705650081 LGNFHRMDYPUENM-RUZDIDTESA-N 496.612 2.646 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705665413 SUZANFDHCGURSL-BHDDXSALSA-N 474.719 2.779 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CN2CCOCC2)CC1 1705691548 HBFNHPWQXYHTPB-UHFFFAOYSA-N 478.439 2.597 30 10 JFEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCCOC)CC1 1705755383 SNDBRZAJLJQFDP-HXUWFJFHSA-N 475.977 2.912 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)CC1 1705782357 VPOSMTMQRCGMQZ-GOSISDBHSA-N 467.636 2.840 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCSC1 1705856491 VETYMHLAHQNYNL-HSZRJFAPSA-N 457.600 2.583 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705890777 IJKLAQGMRGKIIA-AZUAARDMSA-N 477.606 2.794 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1705894518 BNCKCYXXIWAYBE-CQSZACIVSA-N 455.469 2.703 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(CC)Cc2nc(O)c3sccc3n2)nnc1C(C)(C)C 1705939174 SVSJRFUNROQCAS-UHFFFAOYSA-N 464.617 2.913 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1705940035 TZPMBBVLOUDZQO-IRXDYDNUSA-N 482.651 2.662 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(CO)c1 1706997254 GUDDWLRHJNNNGA-MRXNPFEDSA-N 467.599 2.826 30 10 JFEE C[C@H]1C[C@@H](C)CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1707974123 BNXDSDJLEHBBMI-BGYRXZFFSA-N 470.643 2.665 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(C(N)=O)CCOCC1 1722278104 PMHLYSGATLEJCH-ZWKOTPCHSA-N 455.559 2.557 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCCCC2)CC1 1722308423 NBHMOEYWLTZRMC-HXUWFJFHSA-N 464.680 2.784 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1722365256 DHCFZEWPJMYXOO-PKOBYXMFSA-N 477.656 2.621 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722366224 HKVGLPDMPJOAJN-XZOQPEGZSA-N 469.655 2.768 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1722367524 NQFJJJCUIUAZCY-HXUWFJFHSA-N 474.627 2.567 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722368872 UBEBWXSUFXBBBZ-JOCHJYFZSA-N 469.611 2.764 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722383652 VNYGCKRVYKCUAO-QHCPKHFHSA-N 454.534 2.503 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(CN2CCOCC2)CCCCC1 1722403435 QRDBWKOIIFUVPD-UHFFFAOYSA-N 465.602 2.668 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1722425723 KCGSAFOYSTYAQX-UHFFFAOYSA-N 469.611 2.794 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@@](C)=O)CCC2)CC1 1722432573 BBPSJXICURFUHQ-SSEXGKCCSA-N 494.434 2.903 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1722436120 XPZBZCRNYXGDEB-NRFANRHFSA-N 466.630 2.838 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CC1 1722444908 ILXYBNMBDSTMAA-UHFFFAOYSA-N 468.565 2.680 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1722445504 SFFBOKFZYAYDMP-PMACEKPBSA-N 496.631 2.938 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1722446299 RFLSXQXEQYUPGG-NRFANRHFSA-N 463.630 2.735 30 10 JFEE C#CCSCCn1c(N2CCN(c3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1722464871 UVJPPKZTXXVPEK-DEOSSOPVSA-N 455.628 2.932 30 10 JFEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 1722484450 IFFMUVGPUWMXIL-OAHLLOKOSA-N 490.449 2.608 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722535098 YWVSRFBWXZQKGJ-HSZRJFAPSA-N 475.597 2.590 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722538022 SUNJZAMZCPMBIA-NRFANRHFSA-N 455.559 2.780 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722538349 XABPHCFGFFQEGV-KRWDZBQOSA-N 459.513 2.660 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCS(=O)(=O)N(C)C)CC1 1722562532 CEQSBPBPEKDFMM-UHFFFAOYSA-N 484.420 2.764 30 10 JFEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)n(C)c1=O 1722665152 HCNQGANQPGRLRN-UHFFFAOYSA-N 481.626 2.780 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1722671790 CDGLZHUQQDRUPC-APWZRJJASA-N 465.570 2.940 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722682626 XVEZMPVQDUCVFU-UHFFFAOYSA-N 478.439 2.613 30 10 JFEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(CC(F)(F)F)CC1 1723784841 FHDNBKOEZDVIMF-MRXNPFEDSA-N 493.534 2.703 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1c[nH]nc1C 1728903547 HVVNKHUUIBLUHM-IBGZPJMESA-N 451.531 2.649 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(OCCOC)CCOCC1 1740536383 FVKYUGQXMOCQBT-OAHLLOKOSA-N 466.380 2.706 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCc2nccn2C1 1740608503 BMASCCAYLAJYPA-SFHVURJKSA-N 453.591 2.921 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1740615743 KAZMOXJRSVWRRR-HNNXBMFYSA-N 450.992 2.913 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)CN1CCOCC1 1740649065 NEKDADMOKICIAY-NHCUHLMSSA-N 453.562 2.988 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN/C(O)=C1/N=CC=CC1=O 1740682139 LCCINPWUPRHLHM-GYHWCHFESA-N 494.621 2.888 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](CCC)OC)CC1 1740695164 HHEJFOJXGGFJTE-FQEVSTJZSA-N 477.613 2.635 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(N(C)C)CCSC2)CC1 1740703980 HUXWIDYWDHOCMH-RUZDIDTESA-N 466.655 2.657 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C(C)C)C(C)C)CC1 1740705727 LJHFPGKUXUPICS-XMMPIXPASA-N 494.640 2.875 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCN(CC)S(C)(=O)=O 1740727903 FKBJADNPUPXKCW-HXUWFJFHSA-N 450.996 2.657 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740743850 GVNIEXSVJTVBGS-MRXNPFEDSA-N 456.385 2.995 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740760146 GWDOHOSYYHRROC-WCIQWLHISA-N 466.648 2.945 30 10 JFEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740784536 HKMRCQCZPXIPBX-INIZCTEOSA-N 461.364 2.752 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1740786524 GSOYBXXNROYWAR-UHFFFAOYSA-N 489.580 2.917 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740806612 VPAUVMKFVLJOKM-ZDUSSCGKSA-N 474.812 2.930 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740955080 WLHHTTJFBSJLCP-SJORKVTESA-N 460.376 2.873 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1740964434 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30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(Br)c1 1286814362 QOCUXFITTNCJDR-UHFFFAOYSA-N 496.431 2.514 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC(C)(C)O1 1291278756 BKACCTHNIUNMBD-LJQANCHMSA-N 468.602 2.579 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1300276013 FAOQQRRXAPHFKJ-YQFJPLGNSA-N 483.613 2.690 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC)c(OCC)c1 1300307208 CLDKAGYIMBICRK-IEBWSBKVSA-N 460.600 2.678 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1300365580 ZLKCDIUKIXWIJA-SFHVURJKSA-N 479.647 2.867 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300437995 CGNWFSMHXVZHFQ-LJQANCHMSA-N 469.387 2.720 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 1300479581 PRNFWXWVEPEPDX-JKSUJKDBSA-N 461.657 2.832 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1300482161 DKISNTOAUVXJTI-QFBILLFUSA-N 466.592 2.704 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1300488755 WAMXSGQKWMOMDC-SFHVURJKSA-N 473.002 2.820 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300502455 UWDDIENIWXUQDR-SFHVURJKSA-N 475.581 2.522 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(Br)c1 1300506391 RYSAACPJIJIPMQ-UHFFFAOYSA-N 479.338 2.818 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N2CCCC2)nc1 1300508999 CGPLGNCLSQOUSR-UHFFFAOYSA-N 487.995 2.978 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCN(CC)C1 1300535014 HAESANSTBFDGSS-HXUWFJFHSA-N 454.619 2.807 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1 1300562016 YNDFSMBWFIUNQM-UHFFFAOYSA-N 482.654 2.534 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCS1(=O)=O 1300602872 KVDGZEZFKDKQNI-UHFFFAOYSA-N 466.611 2.848 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300606968 YEJACSYZYHOLPW-UYAOXDASSA-N 472.571 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JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690720911 UQXYZQCYVIJTAE-YYDVJCTNSA-N 460.600 2.627 30 10 JFEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690750462 KKBRGZZSDMBVBI-IBGZPJMESA-N 479.672 2.863 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)F)CC1 1697074766 DRNCGHGBBVCJCI-UHFFFAOYSA-N 483.479 2.792 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705549858 LBAWHVUXZLDHEQ-MRXNPFEDSA-N 465.558 2.565 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC(F)(F)F 1705550419 ZKHCJACAHBDTOD-UHFFFAOYSA-N 483.454 2.646 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnc(C(C)(C)C)s1 1705579997 AQRSDMUIVFPEJZ-UHFFFAOYSA-N 458.551 2.864 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705591833 YWRJECUYALGQBV-RTBURBONSA-N 485.679 2.876 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(CN2CCCC2=O)cc1 1705628103 XRFRZINEXULOKJ-QFIPXVFZSA-N 451.571 2.776 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN(CC)C(C)C)CC1 1705646004 NIJSBQXYMLPPKP-UHFFFAOYSA-N 452.603 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1705651437 WTMKKPRZZHLUOX-JIPXPUAJSA-N 479.625 2.991 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1705659135 MHYIOQYYRHOORM-IBGZPJMESA-N 469.611 2.956 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705722675 DTPUMXJDBZMJCX-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 1705746965 BSEODGCQOCGVQX-UHFFFAOYSA-N 466.369 3.000 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1705866505 SCWPRAKUJQIGBD-UYAOXDASSA-N 458.632 2.840 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705888226 LTRQPQFRTRDSRS-GOSISDBHSA-N 459.392 2.636 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC=C(COC)CC1 1705896239 GKZLVEFLQAOYLZ-UHFFFAOYSA-N 452.378 2.854 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Br)cc2)C1 1705917324 WBDUZOIEGDBSKW-YJBOKZPZSA-N 498.447 2.675 30 10 JFEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1706998773 GTGFAOMMYQXKKE-SJORKVTESA-N 455.588 2.739 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)s1 1707559534 APHSACWVLYDBBQ-UHFFFAOYSA-N 499.666 2.519 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CCN1S(C)(=O)=O 1712849965 GGTOGNKXYBBVGS-SFHVURJKSA-N 472.615 2.779 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=C)Br 1722297425 ZYWBICFGZZVQOD-LSDHHAIUSA-N 454.369 2.953 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722341843 NNMRKQQAOJJYRD-URVUXULASA-N 451.571 2.905 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722360834 WKSBDVDAGTYOIG-WIYYLYMNSA-N 476.046 2.957 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccs1)N1CCCC1 1722388106 VFEVSDJRWDLEBE-VWPQPMDRSA-N 453.612 2.974 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722399709 RGSNSHDPSXBYLN-UHFFFAOYSA-N 488.592 2.595 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1722423965 WLZCCDQONGYWLY-HSZRJFAPSA-N 474.565 2.878 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(=O)OC(C)(C)C 1722430450 GYJHSOKYMYWEGK-UHFFFAOYSA-N 465.558 2.518 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1722453528 WIYKTOYWYGGEJZ-UHFFFAOYSA-N 467.599 2.559 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1722458757 SEONZQUOCDHCTO-VQTJNVASSA-N 457.575 2.920 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722476660 DFOGFWLWBGXESM-UHFFFAOYSA-N 493.431 2.837 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722533301 NYIQYDDKKRVNAZ-OAQYLSRUSA-N 487.004 2.882 30 10 JFEE C=CCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722689514 SSDYLTQSMHDBBL-BGYRXZFFSA-N 460.623 2.783 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1722693188 GFKQUDCEKQMDBM-UHFFFAOYSA-N 495.584 2.821 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCN(c3cccnn3)C2)cc1 1722702097 DJGICWGEBBFRHI-NRFANRHFSA-N 490.612 2.925 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C1 1722715692 VKKRQCMQPHCTQY-IAGOWNOFSA-N 450.465 2.667 30 10 JFEE CNC(=O)C(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C#N)c1 1729615122 GWPGNFAPZPGSHO-UHFFFAOYSA-N 456.554 2.797 30 10 JFEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)C(C)C 1729895957 BGOVAWCFTLMDDA-UNMCSNQZSA-N 454.575 2.704 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCNS(=O)(=O)c1ccc(C)s1 1740549715 FGIIXGJYKFOSPN-KRWDZBQOSA-N 457.625 2.984 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1740566259 QPXUKAINYHTXGM-IBGZPJMESA-N 458.632 2.529 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCNS(C)(=O)=O 1740634725 DRBDTZDJMNZFGW-UHFFFAOYSA-N 471.583 2.825 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(NC(C)=O)cc1 1740642606 SJYADHPDGDQFCV-UHFFFAOYSA-N 451.534 2.791 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1C 1740645189 BFZFVMXAAOOMLN-INIZCTEOSA-N 467.517 2.727 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 1740692186 FSASGMLMUIPQIF-JPYJTQIMSA-N 458.632 2.643 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(SC)CCN(C)CC2)CC1 1740692833 OIADKPPRNUFJNV-UHFFFAOYSA-N 498.697 2.935 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1740693009 SEIDXYUBDRZEKF-AUSIDOKSSA-N 453.587 2.779 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1740698771 VPCFVGLDMFHBCM-VWLOTQADSA-N 455.603 2.905 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740793727 LHWZOAZGODQKMF-UHFFFAOYSA-N 466.508 2.752 30 10 JFEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740877204 UNMUKWCEWGEVRB-FQEVSTJZSA-N 461.588 2.522 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740953585 LELDPHGQPLFVQM-GOSISDBHSA-N 479.553 2.522 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740964388 ODENGTIUICPEST-FQEVSTJZSA-N 464.574 2.518 30 10 JFEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCC(C)CC2)CC1 1741065579 CTXJQWJITPJKFW-UHFFFAOYSA-N 479.629 2.908 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1-c1ccccc1 1741516739 GOURJIMDWWJEJW-UHFFFAOYSA-N 461.574 2.909 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 1742172346 CSXYAPYMULACNA-YPAWHYETSA-N 468.602 2.702 30 10 JFEE CNS(=O)(=O)CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H](C)C#N 1748290659 BAMDUOOMHWTTSV-BBRMVZONSA-N 469.011 2.833 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(N(C)C)CCCCC2)c1 1748692726 MPDQCHIQYMPODB-UHFFFAOYSA-N 474.613 2.999 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCCC2)c1 1748698745 XBBPMZAUJFUZBD-SIKLNZKXSA-N 450.587 2.918 30 10 JFEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(N3CCOCC3)nc2)cc1 1748703880 CCCZLGHWGSHOKJ-HXUWFJFHSA-N 475.597 2.948 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1748752383 WCEJZFFOWSZIBQ-QGZVFWFLSA-N 473.555 2.550 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1749032832 REMSDEZMSOZPDU-LJQANCHMSA-N 468.562 2.585 30 10 JFEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1749244281 JATLCBOTWXGYAA-YADHBBJMSA-N 474.627 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)ccc(F)c2C1 1749738780 XLFGNBJRMWVBLY-UHFFFAOYSA-N 476.553 2.581 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749746343 CNYKDKAJEDUCOP-UHFFFAOYSA-N 471.052 2.821 30 10 JFEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(C)C)nc1 1750089234 GMJRDGJFFQXFTA-DLBZAZTESA-N 467.599 2.584 30 10 JFEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1750880909 CADSLALXOSQLPO-YADHBBJMSA-N 465.602 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477.613 2.681 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCc2cnn(C)c2)CC1 1760254921 PWOMGHUVLWNOJG-UHFFFAOYSA-N 498.429 2.838 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C)CN2CCCC2)CC1 1760257905 BVBLDVXOSNDHNM-OAQYLSRUSA-N 466.630 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1760267315 ZIARGLGYGMWIGB-FQEVSTJZSA-N 493.612 2.940 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1760289857 SMMMECKZUHVJSQ-NBGIEHNGSA-N 484.670 2.915 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760313590 PCGITXSSICFGHS-WIYYLYMNSA-N 454.575 2.781 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760335217 MJZPUCFSJZPFPX-WIYYLYMNSA-N 470.599 2.700 30 10 JFEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760341194 IWQQRBGQAITHGU-UHFFFAOYSA-N 456.595 2.596 30 10 JFEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1760407816 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QEGDOUOZKBEXHU-HSZRJFAPSA-N 464.368 2.794 30 10 JFEE CCOC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C#N)C1 9630086 HDKJEJARZXEKSR-UHFFFAOYSA-N 451.501 2.686 30 10 JFEE C=CCOc1c(Br)cc([C@H]2C(C(=O)OC)=C(C)Nc3nnnn32)cc1OCC 15016826 DBOHYKVFGLINRD-HNNXBMFYSA-N 450.293 2.861 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2C1=O 25119079 AUNSSIWEMWQNIM-FQEVSTJZSA-N 476.485 2.760 30 10 JFEE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814888 ILQZMINHBKROIN-XQNSMLJCSA-N 456.459 2.945 30 10 JFEE CCN(CC)C(=O)CN1CCN(/C(=N/c2cccc(C(=O)O)c2)NCc2ccc(C)cc2)CC1 46022006 HUJILPCGYVZSST-UHFFFAOYSA-N 465.598 2.957 30 10 JFEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 102528952 NDNSHLLXOLGHRU-VFJWVMJUSA-N 470.497 2.597 30 10 JFEE CCOc1cc([C@H]2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2CCN(C)C)ccc1O 169974017 CWPUNUPWKHWXOS-QFIPXVFZSA-N 470.522 2.948 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)c1 195661424 UUVNJKSDSJESED-UHFFFAOYSA-N 477.380 2.796 30 10 JFEE Cc1ccc(-c2noc(CCCN3CCN(S(=O)(=O)c4ccc(F)c(C#N)c4)CC3)n2)cc1 303198939 NURLYHDNSMDPAF-UHFFFAOYSA-N 469.542 2.995 30 10 JFEE COc1ccc(CCC(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)cc1OC 586394665 UOJGZEOJEYONOO-UHFFFAOYSA-N 451.523 2.509 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]3CC(=O)OC)cc2C1=O 599061094 OBYUZGCIVULKEL-FQEVSTJZSA-N 478.501 2.789 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H]2CCO[C@]2(C(=O)O)C1 757454352 HFIRXCFCIDBTSN-OVEGOBCQSA-N 474.513 2.619 30 10 JFEE COc1ccc(-c2csc(NN=C3C(=O)N(C(N)=S)N=C3c3ccc([N+](=O)[O-])cc3)n2)cc1 1084574381 FHCJERZFNOKHEG-UHFFFAOYSA-N 481.519 2.985 30 10 JFEE Cc1c(S(=O)(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)sc2ccc(C#N)cc12 1210056732 FMALECKFCQRDAY-KRWDZBQOSA-N 458.487 2.933 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286379764 BVPNIAXNIPQIEM-ILWGZMRPSA-N 499.637 2.589 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1286386394 ZINVHVKRLKSXBO-HKUYNNGSSA-N 460.600 2.678 30 10 JFEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286392967 DDJVMEWKSJUMAM-IRLDBZIGSA-N 486.638 2.960 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286395295 MOVRBADOMVDDGC-OAQYLSRUSA-N 496.637 2.697 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](C)N1CCCCC1 1286402338 WFZDDMDJCMDPSY-HXUWFJFHSA-N 453.612 2.686 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](CCC)OC 1286423746 VYXYNPUGZWEJJU-LJQANCHMSA-N 456.616 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1Cc1ccc(C(N)=O)nc1 1286423963 PYUPPWDBPHUKFY-UHFFFAOYSA-N 463.339 2.713 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1csc([C@@H](C)OC)n1 1286426343 SIPGEQSOVOSMOZ-OAHLLOKOSA-N 452.540 2.681 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286430201 LGDXIFAPMOIJCT-LJQANCHMSA-N 464.570 2.580 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCCO2)CC1 1286489549 XDPQIEMOFBMWHG-QGZVFWFLSA-N 490.377 2.992 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1286495489 XKJMVHFTWLVDGO-UHFFFAOYSA-N 460.991 2.609 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1286508035 HGLUAMMZNKYUNG-GOSISDBHSA-N 482.610 2.921 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1286523273 SKYFRDLQMMWUPN-KBMIEXCESA-N 486.617 2.637 30 10 JFEE C=C(Br)Cn1c(N2C[C@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286547451 MOQDHCNCZRDMQL-WCVJEAGWSA-N 495.422 2.672 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286557664 XDNFQLIMDJGYDS-KMFMINBZSA-N 467.496 2.599 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286676127 WLDPBLPPLCOXLB-QFIPXVFZSA-N 482.677 2.875 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1)C1CC1 1286738289 RYZZKJRNLOLCTA-GOSISDBHSA-N 467.542 2.752 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1286758203 GNDPCBOJSHBJFY-FQEVSTJZSA-N 488.633 2.630 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC[C@@H](C(=O)OC)C3)nnc2[C@]2(OCC)CCOC2)cc1 1286796400 KDUSLFGIUHLPCX-DVECYGJZSA-N 456.543 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(c2nccs2)CC1 1286817787 ZGNZVWDEXDLLLR-UHFFFAOYSA-N 462.601 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccccc2C)C1 1286821107 AJTOMEBPYAQLPS-QFIPXVFZSA-N 467.595 2.751 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(F)cc2)CC1 1286822334 INOAYXPYPKQNGU-UHFFFAOYSA-N 490.630 2.700 30 10 JFEE Cc1nccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1290513476 ABNKPDLUIHFGJG-UHFFFAOYSA-N 462.602 2.959 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1295809262 AILYYWFXNKECIT-UHFFFAOYSA-N 455.588 2.618 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(F)c(COC)c1 1297287540 FGKIZWGDIUNAOJ-KRWDZBQOSA-N 480.548 2.525 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CC1 1297638714 GJTRDMFWPAIAGL-UHFFFAOYSA-N 487.626 2.663 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1scnc1C 1300283068 LEMZXBNLRVXTOK-HNNXBMFYSA-N 458.613 2.661 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1300505454 AFQCDZFSRMNVQA-JKSUJKDBSA-N 463.629 2.559 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCn2ccnc2C)CC1 1300690572 NGQZAVCTGMZSQL-UHFFFAOYSA-N 460.405 2.729 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](CC)C1 1300751874 UZGWSTNPLUOYJB-HXUWFJFHSA-N 471.627 2.630 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300857579 FMFQRMPXKKLVBY-GJZGRUSLSA-N 482.404 2.895 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1300870536 UBUOVZPWCOHZAT-CDXJDZJCSA-N 485.585 2.667 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300887165 AEGCOWAMGHCDCE-APWUFGDNSA-N 472.678 2.837 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300927689 YUVWAMZOJNCJGA-UHFFFAOYSA-N 479.629 2.858 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1(S(C)(=O)=O)CC1 1301340011 BJVYCPLSBCXFOI-UHFFFAOYSA-N 450.568 2.925 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1301350251 YOOGUCNDMPLPHB-IBGZPJMESA-N 481.569 2.849 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1)C(C)C 1301367715 RUDXLWNRMKXCIB-YTFSRNRJSA-N 490.718 2.553 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1301509600 JMUPNPKDKYOOCT-VQTJNVASSA-N 455.607 2.616 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2ccc(OC)cc2)nnc1[C@]1(OCC)CCOC1 1301519026 LXLYMEATLNYXRA-RDPSFJRHSA-N 455.559 2.583 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301520100 BVTGEJVDTTYULX-KSEOMHKRSA-N 452.603 2.921 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2cccn2)CC1 1301577632 RIBUULGCUFJPTP-UHFFFAOYSA-N 476.006 2.707 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301587356 ULFCAUHEKFPAPE-WATLYSKOSA-N 488.654 2.827 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301593451 NVLIYCLSMCFOMR-QZTJIDSGSA-N 465.595 2.516 30 10 JFEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1301605957 FMVPTCCXFPAZSW-UHFFFAOYSA-N 453.572 2.734 30 10 JFEE C=CC1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)CC1 1307474824 ZMPZTYQDSYSNGL-ZHZULCJRSA-N 459.568 2.754 30 10 JFEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1313745951 CBSIOBBSWYYHIE-UHFFFAOYSA-N 466.567 2.676 30 10 JFEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1314529985 FZVVYPYYLVGIAW-UHFFFAOYSA-N 498.653 2.870 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)C1 1315101756 AXWQAXZOUHXOPJ-QGZVFWFLSA-N 482.928 2.855 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1358934354 YLUHZQBEBQVGAK-APWZRJJASA-N 472.387 2.995 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCS(=O)(=O)N1CCSCC1 1358943055 SYYLBSMNWXSVTQ-UHFFFAOYSA-N 474.439 2.700 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358956074 ZOGQBUMRCLKJRR-BVSLBCMMSA-N 483.638 2.627 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358964839 IHWXVVKZVSVZNP-QHCPKHFHSA-N 463.607 2.914 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(OC)CCC(C)CC1 1359021411 NTOYVGMWCULUGO-UHFFFAOYSA-N 464.574 2.602 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1359033058 NSQPLFHKKJSUDB-CLOONOSVSA-N 455.603 2.905 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1359040134 JPFBYCODMGRHLW-UHFFFAOYSA-N 484.551 2.640 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)N(C)C)CCCC1 1359066365 YMFWATZWLYWVFN-XMMPIXPASA-N 483.638 2.989 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359119464 VJCPGGYFARPUOD-UHFFFAOYSA-N 477.338 2.943 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359152405 VUWBDPXIYMASEA-GOSISDBHSA-N 464.904 2.666 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1359223273 GCNIFRXNECFVCD-HNNXBMFYSA-N 491.390 2.523 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359284832 QAQJWCSTKVQPCK-HNNXBMFYSA-N 459.392 2.683 30 10 JFEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359285839 ROHQQHHSUWTJNV-KRWDZBQOSA-N 463.604 2.789 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359285906 ZDLKKWIZOVBVMJ-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(c2nccs2)CC1 1359306680 NNVAWLFXCDVYAU-IEBWSBKVSA-N 473.647 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnc(C)s1 1359329788 VEYQGJVPCOLXHJ-UHFFFAOYSA-N 461.569 2.676 30 10 JFEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNc2nccc(C(F)(F)F)n2)C1 1359417798 FNSRSVBFICGEEX-SFHVURJKSA-N 499.501 2.843 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1360474018 FEDBUFJXNQAZEZ-MRXNPFEDSA-N 492.584 2.797 30 10 JFEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 1445223842 AEFSHHIKKXUHCB-UHFFFAOYSA-N 450.587 2.820 30 10 JFEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C(=O)N1CCN(C(C)=O)CC1)C(C)C 1458987383 XVKHKTJPNYVSID-OAQYLSRUSA-N 457.600 2.851 30 10 JFEE N#CC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCCCC1 1463487052 FOCKVUUDQPEQII-LJQANCHMSA-N 451.614 2.647 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)Oc1ccccc1F 1499163990 FBDFZSUOQFBHMR-SJORKVTESA-N 450.522 2.824 30 10 JFEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)C12CCC2 1502942100 CGCSKBAPNBZLMV-WOJBJXKFSA-N 472.615 2.540 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCS(=O)(=O)c1ccccc1 1507540080 AMIDYFOXPMTLGG-QGZVFWFLSA-N 471.608 2.592 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1507557038 GZUMLEHJADWFHN-KRWDZBQOSA-N 456.490 2.920 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 1507589751 ZTHARXWXNOVAON-LJQANCHMSA-N 457.579 2.760 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507649144 ZEAYQUTXMSTWMM-GOSISDBHSA-N 499.641 2.566 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507662837 PFPAWMRXXDAKBZ-UHFFFAOYSA-N 474.565 2.671 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1c1cnn(C)c1 1507680386 AJPHKDDTEQGANO-QGZVFWFLSA-N 471.407 2.908 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCOc1ncccc1F 1507699992 MVCVJHZFTZHIAV-UHFFFAOYSA-N 454.481 2.808 30 10 JFEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCOCC1(C)C 1507704148 QPXLIUPTFBGPQM-UHFFFAOYSA-N 451.615 2.945 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2c(CC)nn(C)c2CC)CC1 1507718326 OMPARYXCMMDOFP-UHFFFAOYSA-N 499.461 2.708 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC1 1507733354 VTFQDLURRKKVEB-SSEXGKCCSA-N 464.060 2.890 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1507739951 LZMRJSHFVGOGRH-UHFFFAOYSA-N 483.498 2.692 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)OC)CC1 1507752205 WVANELRASRDFAB-UHFFFAOYSA-N 492.646 2.647 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1507803773 IOEAONYZRHFHBR-SIKLNZKXSA-N 456.566 2.841 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1507944947 XVMWWXUHFBPCAH-KRWDZBQOSA-N 458.588 2.774 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1508023676 FJOUXDZLNUSFII-QFIPXVFZSA-N 466.630 2.700 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1508073078 MAXXCZZYUDWHBE-CVEARBPZSA-N 465.396 2.978 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C 1508094912 QMXIOZRIPHRJDI-KRWDZBQOSA-N 473.006 2.996 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508107979 GWYCUOOGZAKHCP-NRFANRHFSA-N 467.595 2.890 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2Cl)C1 1508126597 RWRJVYUBTWQVOL-DRSNIGMVSA-N 481.018 2.523 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1508141318 MJZGKFLSILHYMP-FQEVSTJZSA-N 455.584 2.814 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508165366 STGNYQWKFBTROL-MRXNPFEDSA-N 454.522 2.688 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCC(=O)NC(C)(C)C 1512364010 ASVZYIIXYHFJIV-QGZVFWFLSA-N 467.622 2.548 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1517434040 GNVHTGHWMFCOGJ-HNNXBMFYSA-N 463.508 2.662 30 10 JFEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)CC2)c(OC)n1 1518289092 DNPRQWLYHURXRE-UHFFFAOYSA-N 491.596 2.967 30 10 JFEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C 1537443709 BUWWMDYMGVFPGR-UHFFFAOYSA-N 458.509 2.707 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1539141761 IIVZNZHDDHXMCJ-PXNSSMCTSA-N 457.600 2.876 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539231994 ZXBSNOLXAQWHFO-VXKWHMMOSA-N 485.654 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCc2cnn(C)c2)CC1 1539474540 SOVMSFGZBORZPS-UHFFFAOYSA-N 465.989 2.931 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOc2ccc(F)cc2)CC1 1539481671 MXRJXTOYOSXGSH-HXUWFJFHSA-N 469.561 2.746 30 10 JFEE C=C(C)Cn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539733725 MNBNZSTWEHNPKF-DEOSSOPVSA-N 489.642 2.796 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539759958 PITPIPYLCHKWKM-MSOLQXFVSA-N 483.635 2.566 30 10 JFEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1539885107 WEFOGJXJWXYJKM-UHFFFAOYSA-N 461.448 2.675 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1539900356 MNKNMBYBBBWNDK-MRXNPFEDSA-N 462.620 2.863 30 10 JFEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1540014017 GHRYBQVTNXZSHN-QHCPKHFHSA-N 456.522 2.777 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 1540863720 CNFRXLBXODXCGT-SFHVURJKSA-N 450.509 2.807 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540865937 XFUWSJYHKMNMLD-CYBMUJFWSA-N 481.420 2.566 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1540879869 QTMBOKPRAZTJRI-FIKGOQFSSA-N 475.615 2.505 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCO2)C1 1540892301 JNBXIFBHOIQBRX-GUDVDZBRSA-N 463.579 2.547 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1540900595 AWGHQTRKCQYZHL-LPHOPBHVSA-N 461.613 2.912 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2)C1 1540901293 ZBCKCNUSNPOTND-LJQANCHMSA-N 459.616 2.619 30 10 JFEE CCc1nc(CCn2c(COc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)cs1 1546375237 GMNKFPPVWHCWJQ-KRWDZBQOSA-N 454.556 2.856 30 10 JFEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1547122509 AHANKVFPZCCWJH-UHFFFAOYSA-N 467.574 2.539 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 1561269238 ZTBAGZLSHCOYEN-MJGOQNOKSA-N 451.589 2.964 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CC[C@@H](C(F)F)N1CCOCC1 1587673307 MXHNHCBZUYPOSR-AEFFLSMTSA-N 451.493 2.810 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2cccnc2OC)c1 1587697014 HMCROFBIIBUICM-UHFFFAOYSA-N 467.533 2.772 30 10 JFEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588035849 YKERCDLTFWDCQE-KJWPAHLWSA-N 486.638 2.751 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588039976 GWYSAEAOUKVRQP-ZJSXRUAMSA-N 456.612 2.949 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1588040440 MZUFXMZLFAYRTI-BWKNWUBXSA-N 493.589 2.561 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2cc(F)cc(F)c2)CC1 1588913340 HSVQNKRFEOTHBW-UHFFFAOYSA-N 450.493 2.827 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(F)c(F)c2F)CC1 1588929585 DETROBDWDIMJTM-GOSISDBHSA-N 475.515 2.798 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1588962285 YXUVDLICWYXHLW-GGAORHGYSA-N 479.625 2.991 30 10 JFEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1589394502 HLZXFAISSVVIPR-UHFFFAOYSA-N 462.396 2.834 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1589495379 QLZLGRGIVQXDKM-LESCRADOSA-N 461.364 2.756 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1593769457 NJJQIJIAPJDSFP-MHECFPHRSA-N 476.622 2.905 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1593826893 RTTNOODOTPWNFR-UHFFFAOYSA-N 498.857 2.789 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1594608114 FSPDVPGVSIWHRU-ZWKOTPCHSA-N 462.620 2.835 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1594733080 MTHPGCQMCHSJSX-TZIWHRDSSA-N 460.600 2.951 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1595490703 XNXTWJCKMUGFNE-BPQIPLTHSA-N 460.376 2.871 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(CC)C(=O)C2)cc1 1595640550 ZPHYSHNNSAUKFZ-UHFFFAOYSA-N 463.586 2.811 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1595811854 DLKBTMTYIIWUST-DENIHFKCSA-N 467.595 2.831 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1596101945 GBDAMYFZKDPJIK-LJQANCHMSA-N 475.519 2.760 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1CCN1CCN(Cc2ccccc2)CC1 1596822063 HMESBCVMHYAMBA-FYYLOGMGSA-N 451.619 2.933 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H](C(N)=O)c3ccc(O)cc3)C[C@H]1C)C2=O 1615246181 QSGXSFMLJZRUOL-KDBMKLPSSA-N 486.908 2.686 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)cc1Br 1619210523 DMUJQEPKLBTGKN-INIZCTEOSA-N 489.374 2.504 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)s1 1648458512 PIADEHYQRJSAAD-CABCVRRESA-N 457.618 2.659 30 10 JFEE Cc1ccc(C#N)cc1S(=O)(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1661996861 GFSLKCUAZJMCML-UHFFFAOYSA-N 454.596 2.516 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 1665970089 WBLFJZIHYKTPGX-IAGOWNOFSA-N 456.568 2.981 30 10 JFEE C[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)Oc1ccccc1Br 1678505965 APTWCWMKGLCGFR-CABCVRRESA-N 459.348 2.798 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccnc(OC3CCOCC3)c2)c1 1689868655 NLBGNSIJSDMHBZ-UHFFFAOYSA-N 460.538 2.644 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(CS(C)(=O)=O)c1 1689948718 DBDYAUGDLZRABJ-UHFFFAOYSA-N 476.400 2.708 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689986823 XPFWVKGEPQMXMG-ZWKOTPCHSA-N 462.019 2.710 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689993596 HQJQSYOIDSNYTC-QFIPXVFZSA-N 497.646 2.758 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccccc1)N(C)C 1690013224 GGJINWLZKRTBEF-QFIPXVFZSA-N 475.622 2.614 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(OC(F)F)c1 1690053661 GCONTZOBKGRMFR-UHFFFAOYSA-N 470.505 2.777 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(CC)cc2)CC1 1690153817 BXMUYPCHKXYYDH-ZEQRLZLVSA-N 479.625 2.773 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)OC)CC1 1690172907 RAEATSGQUJKUOP-GOSISDBHSA-N 492.646 2.647 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)OC)CC1 1690292697 MONCRQXORAVFTQ-UHFFFAOYSA-N 452.603 2.608 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690361511 WZIPOLYYTXHZJK-OSAWLIQMSA-N 453.971 2.858 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1690464811 KTNFLECCVNNZSO-NHCUHLMSSA-N 455.584 2.986 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1Cc1ccc(C(N)=O)nc1 1690561036 AFWDWEYSHMKMKQ-UHFFFAOYSA-N 464.533 2.870 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1690565905 XBHJEMOKOLCKTQ-OAQYLSRUSA-N 487.626 2.851 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1690573773 CQQCGHXCDZNTQG-IAGOWNOFSA-N 475.644 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCCCCC1 1690717507 IDPQOIVOVAGNSH-UHFFFAOYSA-N 495.671 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690732049 ULTVOBCZAQZFME-FGTMMUONSA-N 497.662 2.511 30 10 JFEE CC(C)N(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C(C)C 1692481724 CQYRRXHCGQGSQO-FQEVSTJZSA-N 450.653 2.819 30 10 JFEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@H](CC)OC)CCOC1 1696079883 FEMCNSIMTHRUFA-GBXCKJPGSA-N 454.575 2.553 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccc(C(F)F)n1 1705495378 OWUAXSNANBJDPB-HOCLYGCPSA-N 477.516 2.820 30 10 JFEE C#CCCCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705522044 TVQNRLSBBTYQJT-VWLOTQADSA-N 459.635 2.671 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705540283 SMFVOAMZYFAXPH-FDDCHVKYSA-N 477.631 2.779 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)C(C)(C)C 1705552465 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COc1ccc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCCC(=O)O)c(OC)c1 2296926392 KFPPUJJJVHNZNM-HXUWFJFHSA-N 470.434 2.899 30 10 JFEE CCOC(=O)COc1ccc(C=C2SC(=NC)N(C)C2=O)cc1I 2313556170 PMAGSUDHEJAVNZ-UHFFFAOYSA-N 460.293 2.765 30 10 JFEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2314905467 MWEHELRKIBCLAJ-ZDUSSCGKSA-N 452.382 2.777 30 10 JFEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2327316317 AMFLYYXARYDBQP-OAHLLOKOSA-N 455.552 2.816 30 10 JFEE Cc1scc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2343508844 QDQULKCEVJIZOU-DEOSSOPVSA-N 456.417 2.723 30 10 JFEE Cc1sc(C(=O)N[C@]23CO[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2359266688 OAZUOTLMSQCWDD-PXAQALGRSA-N 478.420 2.910 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CC(OCc4ccccc4)C3)C2)n1C 2362483926 VYTGITDTKXDXNJ-UHFFFAOYSA-N 451.376 2.849 30 10 JFEE Cc1scc(C(=O)NCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2369505759 RMKVKCVIVJVNKV-UHFFFAOYSA-N 480.436 2.705 30 10 JFEE O=C(CSc1n[nH]c(N/N=C/c2cc(Br)cc(Br)c2O)n1)NC1CC1 59018465 PIJUVJJMOATZLA-YAXRCOADSA-N 490.181 2.852 30 10 JFEE CCCC/C(C)=N/Nc1nc(SCC(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)n[nH]1 59891297 LAIVTCYGTUAUQI-PXLXIMEGSA-N 463.612 2.726 30 10 JFEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@@H]1c1ccc(F)cc1 72461256 FLESOYJPPXWCNM-VQIMIIECSA-N 461.453 2.906 30 10 JFEE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1 100149747 JTMBGKWZPKKMLH-HAVVHWLPSA-N 485.507 2.556 30 10 JFEE CCN(CC)c1ccc([C@H]2N(C(=O)C/[N+]([O-])=N/OC)[C@@H](C)CN2S(=O)(=O)c2ccccc2)cc1 103936651 IQZNPWMFCLMNHA-TVHZHOFLSA-N 489.598 2.977 30 10 JFEE N#CCC(=O)NCc1cccc(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c1 219741186 SINYTUVQOQXNEL-UHFFFAOYSA-N 483.322 2.994 30 10 JFEE COCCCn1c(=NC(=O)c2cccc(OC)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 252669725 IMPHMPXTJXTNFA-UHFFFAOYSA-N 457.490 2.616 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)[C@@H](C)C(=O)Nc3ccccc3OCC)cc21 586350226 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C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1286415025 IESBPPITFPQDBO-XMMPIXPASA-N 474.609 2.823 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1286426550 YZPFSPZVMWMMMY-UHFFFAOYSA-N 499.619 2.786 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1286434473 LCZSCQQKCNWNLQ-AREMUKBSSA-N 495.649 2.537 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](c1ccsc1)N(C)C 1286462525 LBCLRCLCLHYVFT-OAQYLSRUSA-N 491.621 2.642 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccc(OC)cc2)CC1 1286473930 WCMZEMVODRJZTH-UHFFFAOYSA-N 485.386 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1286493571 WKDLLQSMARXQQN-NRFANRHFSA-N 473.021 2.737 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286498629 BVLMFDCASATWTL-GOSISDBHSA-N 457.600 2.633 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 1286604530 MBSFPYJMLONBMY-UHFFFAOYSA-N 472.409 2.642 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1286641426 YTAWBCLMWKVEGU-UHFFFAOYSA-N 462.963 2.863 30 10 JFEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)nc1 1286731330 IEJKSNSLUBLLIA-BGYRXZFFSA-N 483.617 2.951 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286751814 NCIPXXTWVUQBTB-UFYCRDLUSA-N 486.617 2.717 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)cc1 1286794065 VHLRKYIJAQZQRT-OYRHEFFESA-N 482.629 2.673 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](C)C1 1286814570 CFIJIXFODOGZOA-OKILXGFUSA-N 456.410 2.739 30 10 JFEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1287044053 GKLRJEJVDFILLS-UHFFFAOYSA-N 461.574 2.630 30 10 JFEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1291085617 DRCBZZNPNCAMCP-GCJKJVERSA-N 486.642 2.930 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1291809476 CLYLXUFNMBXPLW-IBGZPJMESA-N 458.570 2.843 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300275616 XBVQJWUASSARCI-IPMKNSEASA-N 475.615 2.699 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)c1ccsc1 1300471871 SMSACEONJNVONL-RUZDIDTESA-N 464.639 2.681 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300487655 KTDQAUSDYBAEAY-IRLDBZIGSA-N 470.643 2.621 30 10 JFEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1300496682 TWHNROKDVYVYKW-PXNSSMCTSA-N 458.584 2.854 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCCCC1 1300671246 GAIPDVCLDCCUNP-NZQKXSOJSA-N 453.587 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1300731276 MTJAMIAESATDIG-HXUWFJFHSA-N 464.614 2.614 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1300972251 JIZVKQKFDUHKEX-MRXNPFEDSA-N 467.496 2.591 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1301410572 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DUMFPPPRLGJGJO-UHFFFAOYSA-N 492.584 2.876 30 10 JFEE CCn1c([C@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2ccccc21 1442758319 GPUVSSBJHVJMBU-IIBYNOLFSA-N 451.552 2.958 30 10 JFEE Cc1nncn1-c1cccc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1446280520 FSWGNYJMYJXRQF-LJQANCHMSA-N 452.540 2.668 30 10 JFEE CCOC(=O)C1=C(Cn2cc(C#N)c3ccccc3c2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 1459173065 GPCQYIRYEAUEHU-JOCHJYFZSA-N 458.474 2.753 30 10 JFEE COC(=O)[C@@H]1CCc2sc(NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)nc2C1 1466902589 BDKQNBMVVVVGRH-GDBMZVCRSA-N 453.524 2.610 30 10 JFEE C#CCN1CCC[C@H](NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)C1 1471833023 NSQOLVNFUSSCNI-QRVBRYPASA-N 453.612 2.549 30 10 JFEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507571221 TUFOAFARQYPVBC-JTHBVZDNSA-N 494.640 2.658 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507624619 CMACBONTUBAWIZ-CVDCTZTESA-N 466.648 2.772 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1507628193 HAEIIIKXMQSKPJ-HNNXBMFYSA-N 462.000 2.924 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633002 CCXLIWYNKOWJHR-UNMCSNQZSA-N 487.670 2.805 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1507639213 WLVFUIAUCYTTCU-UHFFFAOYSA-N 455.946 2.696 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507698102 QHXWYSOBFURWOW-FCHUYYIVSA-N 455.628 2.841 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2cccc(Br)n2)n1 1507717796 YQQAAOLSXOUALO-UHFFFAOYSA-N 458.364 2.529 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)NC2CCCCC2)CC1 1507722592 BAPDKQNNXCKNFO-UHFFFAOYSA-N 480.613 2.557 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCOCC)CC1 1507735438 WPSXTYMKEZPWNP-UHFFFAOYSA-N 490.402 2.719 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1507739383 GXJXMQHSEFVTKV-DHUJRADRSA-N 499.681 2.585 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCN(CC)S(C)(=O)=O 1507762223 XEAFSDYTIUXTBK-HXUWFJFHSA-N 497.463 2.710 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1507768177 MFFPKLVWIKCOHQ-HOOSLVGPSA-N 456.591 2.868 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507845436 GEIMOYOBNZRAQU-RDGATRHJSA-N 480.657 2.759 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507846757 WPBVKWSCURMBRL-FQEVSTJZSA-N 465.554 2.927 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CN(CC)CC)c2)CC1 1507880488 JDVLARJHVOKMAU-IBGZPJMESA-N 460.648 2.935 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1508000282 VZGJHGMXWBHBEU-HXUWFJFHSA-N 496.568 2.858 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508047987 NUJMTCFLYVYIJB-UHFFFAOYSA-N 451.531 2.582 30 10 JFEE C[C@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 1512221159 CZKAWSLATVYZKV-UGKGYDQZSA-N 470.643 2.952 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30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](n2cncn2)C1 1540866690 WWFRIIHUUISBBT-HNNXBMFYSA-N 461.357 2.987 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)C1 1540898480 LYDIULFNKVXWLZ-CYBMUJFWSA-N 474.450 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540899539 ROKAOVOGOTZRPX-NQIIRXRSSA-N 486.594 2.925 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CC[C@H](C)N3CCCCC3)CC2)c1C#N 1543001146 DWVCMHNVNIGDEY-IBGZPJMESA-N 453.639 2.906 30 10 JFEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)COc3ccc(C#N)cc3OC)CC2)cc1 1543422128 BFCVAEMBTXWTNY-GOSISDBHSA-N 451.523 2.646 30 10 JFEE CCC(O)(CC)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1546041458 CNGNTGGYOOCFLL-GOSISDBHSA-N 494.575 2.924 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1546394024 DPLCTYLMHOBNTM-UHFFFAOYSA-N 485.552 2.786 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCC(C)CC1 1548170837 BXXCLPQMUIYJAG-UHFFFAOYSA-N 452.607 2.530 30 10 JFEE 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C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871054659 LNEVNTGZOCQCMS-UHFFFAOYSA-N 455.536 2.881 30 10 JFEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(N(CCO)CCO)ncnc21 1873646445 KKXNGHKTMOYMRX-UHFFFAOYSA-N 450.326 2.967 30 10 JFEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccc(N(C)C)cc3)CC2=O)cc1 1874198333 WUAHFRDCGWSKHL-BFTFCADCSA-N 480.594 2.840 30 10 JFEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874339044 GXXWLPBIVPPNLE-RSFOSLOZSA-N 474.543 2.838 30 10 JFEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2cccc(C)c2C)cc1O 1874432164 QUAGDVJDYFSTIA-OPEKNORGSA-N 482.566 2.858 30 10 JFEE COCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874469755 VQBVNQHJLQMDLQ-OEAKJJBVSA-N 453.524 2.851 30 10 JFEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874499511 SCVMSVPGGHDZRU-AWQFTUOYSA-N 486.392 2.744 30 10 JFEE COCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874500728 WXFKYTHDQMLTMZ-AUEPDCJTSA-N 475.502 2.899 30 10 JFEE 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2.813 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@]21C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268649113 ARVXAPGDXLQUAK-VVYDWRJNSA-N 463.409 2.752 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268679880 QZUSKIADXRANNF-OAHLLOKOSA-N 463.409 2.848 30 10 JFEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2281831575 XYLVCJHLWGNOJD-GYCJOSAFSA-N 459.396 2.937 30 10 JFEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281973194 QXHGSXRBCQWUNU-OAHLLOKOSA-N 462.400 2.627 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2281979970 HMZYQIOISBIQDD-CVEARBPZSA-N 462.400 2.768 30 10 JFEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282022873 JSAHBQMKRPVKAY-HSZRJFAPSA-N 462.400 2.835 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CC)CN(C(=O)OC(C)(C)C)C1 2282053816 KHAYQEHTUMGGNC-UHFFFAOYSA-N 462.400 2.579 30 10 JFEE 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C[C@@H](NC(=O)CN1CC(CNC(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2283954345 DJOUAACJDDLNSE-OAHLLOKOSA-N 479.452 2.681 30 10 JFEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2284018324 SLNIHHREJRKIBF-KXBFYZLASA-N 460.380 2.703 30 10 JFEE C[C@H](NC(=O)[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284020111 IGAMNSXYMSCYTP-WNSKOXEYSA-N 480.436 2.844 30 10 JFEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 2284033368 UXEJDKULTZBFSI-SFHVURJKSA-N 462.396 2.608 30 10 JFEE Cc1nc(NC(=O)[C@]23C[C@H]2CC[C@@H]3NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2284055245 QAKBJCRMPCAPIL-KKAKJJSRSA-N 458.368 2.716 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288250512 SMSJGRBAMYXEHL-UPCLLVRISA-N 459.396 2.794 30 10 JFEE COc1cc(CNC(=O)CCCONC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289577189 QQQWFXIKJDBHCP-UHFFFAOYSA-N 464.368 2.847 30 10 JFEE Cc1nn(C)c(C)c1C(=O)N1CC[C@]2(CO)CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1 2297649066 PYPUMBUJYMQLSA-HTAPYJJXSA-N 461.488 2.888 30 10 JFEE COc1ccc(OC)c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)c1 2330718617 XDMWQJWOPUYDMZ-UHFFFAOYSA-N 468.539 2.544 30 10 JFEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330938581 AHPUPAIDYCZOKD-HNNXBMFYSA-N 463.560 2.656 30 10 JFEE COc1cc(C=Nn2c(SCC(=O)Nc3nccs3)nnc2[C@H]2CCCO2)cc(OC)c1O 2330949166 ZYEOXXIDGVJMCY-CYBMUJFWSA-N 490.567 2.922 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c(Br)c(Br)nn2C)C1 2338975182 OEZPFKMZZWRYMC-UHFFFAOYSA-N 490.196 2.868 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC12CCN(C(=O)OCc1ccccc1)CC2 2362347542 HGQYLNWARYYCCZ-UHFFFAOYSA-N 494.401 2.737 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC(C)(C)C1 2362357789 RKVHPGDGFBTYGV-UHFFFAOYSA-N 452.408 2.704 30 10 JFEE COc1ccc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1B1OC(C)(C)C(C)(C)O1 2365282772 GSAGDVSGMUYCGO-GOSISDBHSA-N 462.352 2.569 30 10 JFEE C=CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)oc(=O)n5C)n3)cc21 11857894 PDAMYUCEDGUAQW-UHFFFAOYSA-N 498.542 2.967 30 10 JFEE Nn1c(N/N=C/c2ccc(Br)cc2)nnc1SCC(=O)NCc1ccc(F)cc1 21316025 PQUQXJGPRODMFT-AUEPDCJTSA-N 478.351 2.748 30 10 JFEE CC(=O)Nc1ccc(S(=O)(=O)N/N=C2/C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 59166506 CTNLGRNRYKKPHR-WNAAXNPUSA-N 478.530 2.753 30 10 JFEE CCN1C(=O)/C(=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)S/C1=N/c1cccc(C(=O)O)c1 100939132 XKMSGULARWMRNS-YEUPDIKLSA-N 494.554 2.916 30 10 JFEE N#Cc1ccc(CNC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c(F)c1 609253800 LMQYGVCDHSJBLI-UHFFFAOYSA-N 466.904 2.928 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)c3ccccc3OC)sc(=Cc3ccoc3)c2=O)c1 727417098 DNXHHQKUCMSQLO-UHFFFAOYSA-N 452.491 2.868 30 10 JFEE CC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 916947782 BAKNPQUSBWKNPG-NRFANRHFSA-N 468.535 2.781 30 10 JFEE C=C1C(=O)[C@@]23[C@@H](OC(C)=O)C[C@H]4C(C)(C)CCC[C@]4(COC(C)=O)[C@H]2C(=O)C[C@H]1[C@H]3OC(C)=O 1076432030 BDTDXIPXZDVGOC-FNAUXGKBSA-N 474.550 2.960 30 10 JFEE Nn1c(NN=Cc2ccccc2Cl)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084267841 NBQPWPFRCOKUGN-UHFFFAOYSA-N 459.919 2.593 30 10 JFEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccc([N+](=O)[O-])cc3)n2)cc1OC 1084333004 UNLMJOHWKHPQNS-UHFFFAOYSA-N 485.526 2.975 30 10 JFEE CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1167372337 IFJWWCYDMBCZLS-WMZHIEFXSA-N 454.596 2.594 30 10 JFEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 1169450797 CQWLFIDITPNZQN-UNMCSNQZSA-N 450.539 2.983 30 10 JFEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCCCC1 1190699448 HVIUOQIMWKGLMQ-UHFFFAOYSA-N 455.983 2.580 30 10 JFEE C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1194615531 GXQFPWMQRGGLEJ-KNKQGSTJSA-N 457.594 2.502 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1214914134 CSVMGIKUWNLZDT-UHFFFAOYSA-N 453.587 2.839 30 10 JFEE C#C[C@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)c1ccc(F)cc1 1252439941 RQLHTSLAWXDIRR-OETAKHSWSA-N 459.518 2.988 30 10 JFEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286348533 YNHJIUNCBNWTQN-SFHVURJKSA-N 454.600 2.948 30 10 JFEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(C)(C)CN1CCOCC1 1286351121 AYABFCHZJHHPOJ-JOCHJYFZSA-N 453.587 2.999 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1286381426 GKZZWHZMKUWNBJ-GOSISDBHSA-N 487.532 2.925 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1286381920 PLBAEWMDMKAPSL-UYAOXDASSA-N 487.651 2.527 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1286383811 OIDXBMIWSCHAKZ-NTPDMAOXSA-N 450.568 2.928 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC1(CS(C)(=O)=O)CC1 1286456812 WYNPPUNBLIEWPK-LJQANCHMSA-N 460.575 2.776 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CSCCS1 1286469620 KNBYMPFBJAVYQR-KSZLIROESA-N 481.688 2.983 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1286478873 DBNCKZUCRNNSKY-NRFANRHFSA-N 496.612 2.849 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1286489516 VWCCKPXGAJREHF-WIYYLYMNSA-N 451.571 2.592 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1286493374 ACJZTNRYYXEPSC-PGRDOPGGSA-N 467.570 2.572 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286561718 GQWHKLZYTYOHDM-QCBQRGATSA-N 489.661 2.972 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286607294 FIWGAWVLXBMNDV-NRFANRHFSA-N 491.633 2.624 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1286663345 AAPZXQMSGYUJNB-UHFFFAOYSA-N 455.584 2.956 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1286695398 WAGLZDFOQLPLFD-BPQIPLTHSA-N 482.651 2.594 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286779241 HDWFPPZXAAJBGR-FUHWJXTLSA-N 472.977 2.575 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286783918 QATJTNLVEMVFTM-KRWDZBQOSA-N 470.574 2.702 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1286820201 GYIDFXFTMKDFDQ-QGZVFWFLSA-N 499.559 2.728 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1300484938 SJVWBAVRGKXNAE-WMZOPIPTSA-N 499.559 2.997 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300504830 UEGYOTBGIJVEKU-GOSISDBHSA-N 494.564 2.928 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1300545487 PXWBRQOCLNFPIJ-HXUWFJFHSA-N 488.617 2.878 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(N(C)C)nc1 1300559155 KPNCZWWJVZBLLD-UHFFFAOYSA-N 490.637 2.519 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1300712129 MSQAVFZZGVBQCF-XMMPIXPASA-N 478.641 2.749 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)c(Br)c2)CC1 1300731401 PHWVZKNMHOIZBY-UHFFFAOYSA-N 490.402 2.600 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1300839095 CXOZEKNBJASPES-LIRRHRJNSA-N 464.368 2.691 30 10 JFEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCCOC)C1 1300849304 NNDRHQSKFPCVOM-YJBOKZPZSA-N 465.348 2.941 30 10 JFEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300944219 CAEUSXFVDMAVHS-KRWDZBQOSA-N 451.568 2.537 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(F)(F)F)CC1 1300950749 NQSAJXGBYKNMJV-UHFFFAOYSA-N 450.513 2.713 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301136896 HKDFHQIUZLBACA-INIZCTEOSA-N 494.687 2.951 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1301575172 COUFHXGCLFYFJV-UHFFFAOYSA-N 496.515 2.790 30 10 JFEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1302274730 FFJIQVIJMBMWMO-WOJBJXKFSA-N 468.558 2.756 30 10 JFEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(Cl)cc1F 1311527583 WEEAIKZNWPANIZ-IBGZPJMESA-N 453.923 2.578 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC(C)CC1 1315653125 CSPUIQBLFBZUQE-FQEVSTJZSA-N 454.575 2.716 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cc(C(F)(F)F)ccn2)CC1=O 1316127810 AYIJWOWWAQFQNT-UHFFFAOYSA-N 499.497 2.768 30 10 JFEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1351797118 BPGNZWQMPIBUID-SFHVURJKSA-N 452.486 2.643 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCC(C)C 1358877190 YQLSSQLHPXWSDB-FDDCHVKYSA-N 461.632 2.841 30 10 JFEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1358928690 IIJRLGLLYMQCCS-UHFFFAOYSA-N 493.637 2.905 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1358957980 FEBABHNCIWLMEU-NRFANRHFSA-N 492.630 2.999 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1358965866 CTAKNHKVEIXUGU-NRFANRHFSA-N 487.670 2.688 30 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2282865566 WBLHNRAJGJTXOS-UHFFFAOYSA-N 478.420 2.617 30 10 JFEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282995897 USTSRURZHMJWOV-HSZRJFAPSA-N 465.375 2.956 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283061124 LCEDLOZZKDMOEJ-JKSUJKDBSA-N 460.384 2.684 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CO1 2283953428 SRLTZFUKXBVUOF-VQIMIIECSA-N 460.380 2.626 30 10 JFEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2283960635 ZSYVRZYKQWSHNU-RJSOSXLCSA-N 464.343 2.729 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]21 2283978680 FMXWJINCYLGFAK-SOUVJXGZSA-N 478.424 2.623 30 10 JFEE Cc1nc(NC(=O)[C@H](C)CC2CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2283979209 KSEMCQGOYMFPAG-CQSZACIVSA-N 460.384 2.916 30 10 JFEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)CCOC1 2284033266 UFEWZYSQXNZQNK-DEOSSOPVSA-N 458.364 2.559 30 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Cc1scc(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2369527106 SFUKQASPOAJYTI-IAGOWNOFSA-N 478.420 2.816 30 10 JFEE COc1cc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc(C)cc3)n2N)cc(OC)c1OC 20919982 GRFYEFYGAWJOLD-ZMOGYAJESA-N 485.570 2.893 30 10 JFEE COc1cccc(/C=N/Nc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)c1O 59016770 AXVJWLPSIUDAJI-UFFVCSGVSA-N 455.500 2.654 30 10 JFEE CCN/C(=N\Cc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 59490522 SMSHKGYNXLJJQG-SFHVURJKSA-N 455.492 2.644 30 10 JFEE CC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1 59889315 JVUMOOBCYDFNSG-HYARGMPZSA-N 465.605 2.908 30 10 JFEE CC1(C)Cc2cccc(OCC#CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2O1 90733338 HSGSBYDEDNNTMZ-UHFFFAOYSA-N 468.575 2.997 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)cc1 103113371 OLKGNSXLXYZELW-RKKARLDVSA-N 454.498 2.978 30 10 JFEE Cn1c(=O)c2c(=O)c3c([nH]c2n(C)c1=O)NC1=C(C(=O)c2ccccc21)[C@@H]3c1ccc(Cl)cc1 104764560 YGVXGRHAVDORDA-HNNXBMFYSA-N 472.888 2.744 30 10 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453.543 2.566 30 10 JFEE CC(=O)N(Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1)C1CC1 1147263454 UFBYNOOODGTCOU-UHFFFAOYSA-N 454.552 2.655 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCCN(C)C)cc1 1286286529 YUFVIFQTVHLXEZ-LJQANCHMSA-N 495.653 2.685 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286336329 IWUWGVAQGWOMCF-UHFFFAOYSA-N 452.607 2.670 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)C1CCCCC1 1286432470 LTVCGUQANFPVFK-UHFFFAOYSA-N 466.611 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1286490068 GOCMCVUHMNHFAW-UHFFFAOYSA-N 478.641 2.890 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1286497063 ZMVGLNYUUSFQMK-UHFFFAOYSA-N 490.568 2.629 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286604883 XZDSRGMNZZUHKH-UHFFFAOYSA-N 494.596 2.990 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C2CC2)C(=O)C1 1286779964 LPMNIDPQEZSUAC-KRWDZBQOSA-N 487.004 2.802 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286783929 QILFHSUNVATNPA-VWLOTQADSA-N 482.585 2.703 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286784173 AOCVNZCBYJRVMB-MJGOQNOKSA-N 454.575 2.987 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(CC)CC1CC1 1286815459 VNYPVZYOJINUQK-UHFFFAOYSA-N 456.410 2.883 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCOC[C@@H]1C 1291598281 AEAJBLIMOBUHMN-MOPGFXCFSA-N 455.582 2.850 30 10 JFEE CCN(C)C(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1295058311 HPIIFIBBIYXJTN-UHFFFAOYSA-N 464.961 2.670 30 10 JFEE C=CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)C(=O)OC 1297030254 SHCZUKQGDNATSU-GOSISDBHSA-N 452.916 2.615 30 10 JFEE CNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1298914508 BQCCYBPGTWHRRJ-QHCPKHFHSA-N 471.993 2.764 30 10 JFEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1299574696 IDMMKRWMFDUDNY-GOSISDBHSA-N 454.575 2.847 30 10 JFEE 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30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2ncccc2F)CC1 1300734579 XYDXPOFOKOXNQO-UHFFFAOYSA-N 481.557 2.874 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300837807 VUAAVQKLNNPSDM-INIZCTEOSA-N 459.348 2.635 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1300883379 AJMSIEHPJMMANN-KSZLIROESA-N 471.524 2.658 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 1300884999 NNOUGPSTYZRFAD-HOJAQTOUSA-N 495.671 2.680 30 10 JFEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1300945091 RNFNWKKHFWTVLN-UHFFFAOYSA-N 469.596 2.669 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1300961045 YYQUOTAVHAHRCK-UHFFFAOYSA-N 499.685 2.616 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1301032877 BCEDSQYPOQIWKU-GOSISDBHSA-N 458.010 2.970 30 10 JFEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(=O)NC(C)C)CC1 1301129959 ITOSNSBVEXKFDE-UHFFFAOYSA-N 479.673 2.960 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488.308 2.781 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1690113867 WUCBCHNDAWDZRY-KNQAVFIVSA-N 451.562 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCOC(C)C)CC1 1690146626 SGFQSBJXZPIXEN-QHCPKHFHSA-N 481.597 2.962 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(Cl)nc2C1 1690155824 OZAYKSIMKPFUDT-UHFFFAOYSA-N 453.959 2.903 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCCc1ccccc1 1690193696 PLGPEENBENSEFZ-FTJBHMTQSA-N 465.598 2.670 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccn2)CC1 1690218277 AYKKKLMVFIQYBY-UHFFFAOYSA-N 462.396 2.827 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1690220294 WBRKZOWWMJNRSG-LSDHHAIUSA-N 486.436 2.960 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690256164 FVICVOZCBGNHLU-HZPDHXFCSA-N 458.629 2.546 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NC 1690576211 REHFPILCOCPAQK-UHFFFAOYSA-N 477.598 2.947 30 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C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)CCC)C2)nnc1C1(c2ccccc2)CCC1 1301520130 ULVSIOVLRNRBHE-OAQYLSRUSA-N 464.614 2.935 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301529466 JPWQWCLRCSQIJY-PKOBYXMFSA-N 464.574 2.937 30 10 JFEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CCOC1 1314100197 GZIWZWIAWCTDSM-XMMPIXPASA-N 467.574 2.812 30 10 JFEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1314440953 DGEFGKIFDYIVAU-QFIPXVFZSA-N 466.586 2.850 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)nc2)CC1 1314504350 FPNVOBREDRFQGF-UHFFFAOYSA-N 450.568 2.972 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CC)c1 1358902283 JQYGUVXIBHJRJH-SFHVURJKSA-N 457.600 2.673 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@]2(N(C)C)CCSC2)c1 1358903306 RQINZJLUUPDFBR-AREMUKBSSA-N 489.649 2.757 30 10 JFEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1358910625 WINPKWFYEJNKMV-UHFFFAOYSA-N 474.613 2.860 30 10 JFEE 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473.021 2.986 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705781020 NKNLMTYBTIMNBD-AEFFLSMTSA-N 484.667 2.840 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705801424 FHTLAJIWEJRMPK-QFIPXVFZSA-N 459.572 2.736 30 10 JFEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705818640 QKZKMCIBINNDHW-INIZCTEOSA-N 456.572 2.964 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705885880 YTOBQZSNESJBHC-NRFANRHFSA-N 472.037 2.652 30 10 JFEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705888686 NBTAFYVTRCVQFT-UHFFFAOYSA-N 465.558 2.972 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705889198 VYZWPQWBYYREEO-UHFFFAOYSA-N 454.394 2.754 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1705891019 VEONAUWUUGELHH-FQEVSTJZSA-N 470.574 2.805 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1705907478 OBALKESISIWINP-HXUWFJFHSA-N 479.585 2.801 30 10 JFEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 1705911621 MNGGZRLPTQMKCJ-HXUWFJFHSA-N 452.559 2.562 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)cc1 1705911918 UFXCNAXQXQDLKS-GOSISDBHSA-N 496.509 2.865 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1705928103 BHXBDUVBAFKULM-OALUTQOASA-N 467.540 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705933604 MRECCGSLOLEUMV-HSZRJFAPSA-N 456.568 2.854 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705941170 AXKJIXJIZVAKSW-LJQANCHMSA-N 470.599 2.640 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CCO1 1706687416 CKWVZUVUDSWXMW-QHCPKHFHSA-N 482.629 2.682 30 10 JFEE CCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O 1710304655 FYQPSDMPOCREDI-UHFFFAOYSA-N 476.585 2.577 30 10 JFEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)N2CCOCC2)cc1OC 1710513953 CUUBQBWIFSZFPQ-XMMPIXPASA-N 472.565 2.905 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H]2CCCCS2(=O)=O)c1 1722305826 VMPZYAPUBSDHDO-XLIONFOSSA-N 457.600 2.815 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(S(C)(=O)=O)CCCC2)c1 1722309509 OOZKFFJJKLQTQR-UHFFFAOYSA-N 455.584 2.569 30 10 JFEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722311205 SRZRUWKLWFYPCO-GOSISDBHSA-N 452.950 2.934 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@H]1CC 1722316190 DCUVYSOXCAJWIR-MOPGFXCFSA-N 477.656 2.990 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1722325285 IEPXTZIZPCOVAA-UHFFFAOYSA-N 473.643 2.557 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722339673 AVYLQTJAXCQNDP-UHFFFAOYSA-N 452.603 2.534 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1722366998 LLOKZMWJZGRLCZ-MJGOQNOKSA-N 494.564 2.757 30 10 JFEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722370621 PIXOZGYVHCRYJQ-GOSISDBHSA-N 491.042 2.632 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCOC2)n1 1722427396 IZMADLUPOFCJJQ-KRWDZBQOSA-N 455.950 2.513 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCC(=O)NC 1722459829 SCGIZMMGWCMXAQ-UHFFFAOYSA-N 478.663 2.721 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722466036 XIJISJWNBOGHQD-NRFANRHFSA-N 492.443 2.948 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1722518302 ZBOSJLQWWPWGTC-UHFFFAOYSA-N 454.579 2.697 30 10 JFEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722525140 OYJBPDGLOXIFFA-LJQANCHMSA-N 456.616 2.965 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3sccc23)CC1 1722598796 CEODHWXRVKXLSB-MRXNPFEDSA-N 490.659 2.576 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722621260 YBUXTUDKCBBNCW-LEWJYISDSA-N 466.586 2.987 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CCOC)[C@H](C)C2)cc1 1722706856 ZGDQXFHBWDXBJL-IRLDBZIGSA-N 455.603 2.942 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1722724596 AWIYZWNUJNUMJQ-UHFFFAOYSA-N 486.642 2.504 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722741139 ATAZNTDWKWYXSH-JOCHJYFZSA-N 455.676 2.788 30 10 JFEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCN(C)C(C)C)C[C@@H]2C)CC1 1722800115 YAKFZVSRJORLCL-OFVILXPXSA-N 492.672 2.536 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)c1ccccc1 1723329836 FGUQRVXAXAKIJD-UHFFFAOYSA-N 479.610 2.544 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1728899247 DAFFGXIPNVFMLF-XMMPIXPASA-N 486.592 2.933 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1 1730090109 FSRMNIGTXUEMIT-QFBILLFUSA-N 456.547 2.938 30 10 JFEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)C[C@H](C)O1 1730607431 BLFIRCWQYYOHBW-XODARUQUSA-N 455.559 2.784 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](c4ccco4)C3)n2CC(=O)NCC(F)(F)F)cc1 1731181455 BSOUWQOZKMEQNF-MRXNPFEDSA-N 474.443 2.994 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740626768 CKNGXZODWWFOEI-VQTJNVASSA-N 464.632 2.743 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740627230 FMWHLMPNDYRPCE-RTBURBONSA-N 490.651 2.778 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCOC[C@H]1OC 1740636207 WSTZPEIUBXSBRN-YLJYHZDGSA-N 473.371 2.841 30 10 JFEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CCc1cnc2c(Cl)cnn2c1 1740644049 ZFNIRUZOHJFGEC-UHFFFAOYSA-N 459.941 2.911 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1CCC(OC)CC1 1740683768 FATQUXPKOVUPTA-UHFFFAOYSA-N 478.597 2.873 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1740694773 TWAWHFQZNGCULY-RPWUZVMVSA-N 450.631 2.793 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1740749747 DMGZGHPDUARRMG-KGLIPLIRSA-N 471.400 2.959 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740766184 GMCGEHFLBHGVHQ-DENIHFKCSA-N 491.683 2.942 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740790486 ZMKVHAXKXGRLBP-LJQANCHMSA-N 492.418 2.950 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740794516 CDDNGSSXQKQRLE-QGZVFWFLSA-N 496.580 2.539 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1740809284 FCKHZRFNTAGGIF-MRXNPFEDSA-N 461.950 2.613 30 10 JFEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740813841 IKIUJOUPYCYCQP-UHFFFAOYSA-N 461.979 2.740 30 10 JFEE C=CCCCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740881605 LVKXZPNYPLKOQJ-RUZDIDTESA-N 460.667 2.891 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740962724 MNDJPJKVFXUPEJ-UHFFFAOYSA-N 456.635 2.932 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1740968401 AQCDOQRWTJTJLG-WMZHIEFXSA-N 460.600 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOCC2(CCC2)C1 1740987004 MUHYYVBJLWLGGR-UHFFFAOYSA-N 498.447 2.654 30 10 JFEE 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CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cc(OC)ccc2OC)cc1OC 2325888215 LIORFCJMUJWFSC-UHFFFAOYSA-N 499.593 2.947 30 10 JFEE COc1cccc(C=Nn2c(CCc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)c1 2326185926 JOLXUVZZCRXHSI-UHFFFAOYSA-N 455.540 2.549 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cc(C)ccc1O 2330731909 ACVIFCRYORRHOY-UHFFFAOYSA-N 456.503 2.680 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2CCN(C(=O)OCc3ccccc3)C2)n1C 2337191063 UYMCSPLIUUNRRO-IBGZPJMESA-N 482.390 2.511 30 10 JFEE CN[C@H](C#CC1(OC)CCOCC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2338366142 XXIBRDOBURIPFU-GJZUVCINSA-N 457.615 2.943 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H]2COC[C@H]21 2345740904 KAYSJBSIPXCCOI-XKQJLSEDSA-N 450.316 2.533 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2352370465 PCQBHXFQXQJVTG-HNNXBMFYSA-N 468.551 2.544 30 10 JFEE COc1nc(OC[C@]2(OC)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365379285 HJKXWVNSBFETKK-QHCPKHFHSA-N 464.368 2.794 30 10 JFEE COCCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(c2ccc(Cl)cc2)CC1 14161334 MREAKFKRNVASRM-UHFFFAOYSA-N 462.023 2.858 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC 33515280 NGAQLXDZNRTXMI-JOCHJYFZSA-N 498.532 2.971 30 10 JFEE CCOC(=O)[C@H]1C(=O)N[C@@H](c2ccc(OC)cc2)[C@](C#N)(C(=O)OCC)[C@H]1c1ccc(OC)cc1 39189172 DEYRMYWNFIVMGX-FYBXHKAZSA-N 480.517 2.911 30 10 JFEE C=CCOc1ccc([C@@H]2/C(=C(/O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1 102490671 CXABBZNOMGYCPW-LAGVDGIJSA-N 481.549 2.966 30 10 JFEE Cc1ccc([C@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1 102526663 XJRAIRDUIGZIOF-HHUUSFLGSA-N 460.534 2.705 30 10 JFEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1 103089152 IWZBWSXWOJSBIV-KXNAUXDSSA-N 460.534 2.787 30 10 JFEE O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCS/C1=N/CCc1ccccc1 105067430 WXUIHUVGPJIDOM-WCWDXBQESA-N 473.620 2.885 30 10 JFEE ON1c2ccccc2N(O)[C@@H](C[S+]=C2N=c3ccccc3=N2)[C@H]1CSc1nc2ccccc2[nH]1 575398733 UVUHEGSQSLNLFK-YADHBBJMSA-N 489.606 2.620 30 10 JFEE COc1ccc(OC)c(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)c1 586332063 CXFLXWGVSFKLLW-HKBQPEDESA-N 461.565 2.842 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCOC)C(=O)O 757268864 MINFEUGFYVNLTK-GOTSBHOMSA-N 464.518 2.913 30 10 JFEE C[C@H](O)[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757405302 ZQJOEBQHMAPEJU-FNVCAUGXSA-N 479.533 2.928 30 10 JFEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@H]1C(=O)O 757442478 REWNBKXNEUKMAO-RJGXRXQPSA-N 477.517 2.946 30 10 JFEE COc1ccc(OCCC(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 916948578 GQABXAOERFMZLR-JOCHJYFZSA-N 485.562 2.986 30 10 JFEE CC(=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1)c1ccc([N+](=O)[O-])cc1 1083946799 BWKMVDGZYNJCSO-UHFFFAOYSA-N 469.483 2.686 30 10 JFEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)Nc3cc(OC)ccc3OC)n[nH]2)cc1 1084403709 ZUKQNRBWVCLTLI-UHFFFAOYSA-N 470.511 2.785 30 10 JFEE Cc1cc(-c2noc([C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)n2)ccc1F 1150812135 FANPUDJITVEIAZ-KBPBESRZSA-N 457.487 2.600 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N(C)C[C@H]3CN(c4ccccc4)C(=O)O3)ccc2c1=O 1154370332 QZQNFWCMLAMUTJ-KRWDZBQOSA-N 450.520 2.969 30 10 JFEE C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1156591623 GGAPDRFBLMKVDA-ACJLOTCBSA-N 459.333 2.901 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccncc1 1165789225 KANASCNGWNOZHB-UHFFFAOYSA-N 452.540 2.586 30 10 JFEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 1187179454 CLFHDBWELRBVPN-LJQANCHMSA-N 453.486 2.799 30 10 JFEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C)c(C#N)c1 1264121291 DQLBSJIXRGAJQJ-UHFFFAOYSA-N 456.568 2.986 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1286388282 MVXHVIUXMXEQHS-SFHVURJKSA-N 490.651 2.875 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1286397773 COHGEFCYMOJDNP-ROUUACIJSA-N 465.620 2.633 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@H](C)N(CC)CC)CC1 1286478913 IHPOVAHONHAIAR-NRFANRHFSA-N 490.656 2.721 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCCCC2)CC1 1286489434 SFZRTBQHGSLZFS-UHFFFAOYSA-N 470.021 2.835 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC=CO2)CC1 1286493730 GJKYOXJSSOBIPI-NJDAHSKKSA-N 455.603 2.855 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286555748 YTOIUPIFLHMWRI-JFYQVNSESA-N 477.650 2.673 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2snnc2C)CC1 1286646060 MDEDCELJEXTKJQ-MRXNPFEDSA-N 461.592 2.951 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1286672842 QQJDFVXBNCWNQN-RBUKOAKNSA-N 451.637 2.982 30 10 JFEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286686192 CFNRFJOYIMJDKX-UHFFFAOYSA-N 457.579 2.946 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286698430 YFWCZQZEUISEMT-OAHLLOKOSA-N 489.502 2.663 30 10 JFEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286711627 NPUBPUPSCDJLAA-HXUWFJFHSA-N 490.649 2.948 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1286765249 AWRQIDMSLBASJP-PMACEKPBSA-N 461.632 2.740 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1286782804 GZMOYWIZDQYJRP-KRWDZBQOSA-N 468.562 2.538 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 1286799726 ZGUYZTBEGCGQNK-YADHBBJMSA-N 468.602 2.607 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCOC[C@H]2C)C1 1286812901 PSNIMRDEOAXFTD-YADHBBJMSA-N 455.603 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(OC)c2)CC1 1286820845 SZOIXEPCBYTIQV-UHFFFAOYSA-N 461.632 2.803 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)(C)C)CC1 1286822428 DISQUZYLFHGZJP-UHFFFAOYSA-N 464.636 2.524 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1N1CCCCC1 1288804851 HMQHQGQLBGXORS-SFHVURJKSA-N 471.631 2.667 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1296305965 BMGZDVBTOBITSM-HXUWFJFHSA-N 464.618 2.790 30 10 JFEE C#CCCCn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1[C@@]1(OCC)CCOC1 1300425637 WGWOUEBICYYLGV-HXUWFJFHSA-N 450.465 2.715 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300489180 JYILTCIDKUBJOL-DEOSSOPVSA-N 494.665 2.956 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(OC)cc1OC 1300536088 RCNQIDFBSLQLJJ-UHFFFAOYSA-N 485.592 2.785 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1300545969 ZZTWFPZVRMUBMD-JOCHJYFZSA-N 487.507 2.793 30 10 JFEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1300596616 YIOHAOYCYOGWRL-UHFFFAOYSA-N 472.014 2.969 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ncccc1Cl 1300606878 WHEYRDNDIAGWFL-UHFFFAOYSA-N 459.959 2.936 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2c(C)coc2C)CC1 1300699761 HINZXOQTQCNNOR-NRFANRHFSA-N 484.601 2.600 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccnc(OC3CCCCC3)c2)CC1 1300725730 DBSPYCHLTOCNBA-UHFFFAOYSA-N 450.587 2.961 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccco2)CC1 1300725828 KOTUEZNYBYVCAO-FQEVSTJZSA-N 496.612 3.000 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1300729101 NCPRKOCZASCWGL-RTBURBONSA-N 483.686 2.720 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C(N)=O)c1 1300843529 COJJMQFQVUAOQJ-UHFFFAOYSA-N 473.331 2.650 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 1300868543 FDJWSZVANQTLNL-NQIIRXRSSA-N 459.978 2.875 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1300884872 MLUGHIQSDQWPTP-ACRUOGEOSA-N 455.584 2.669 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc(CO)nn2)CC1 1301107577 GEZHBWWTMCBJAH-UHFFFAOYSA-N 464.574 2.724 30 10 JFEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301166143 QGYZWNVGEDLRKX-FQEVSTJZSA-N 483.642 2.899 30 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452.603 2.921 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1301565274 AQGPBFLOLQJXRS-RTBURBONSA-N 450.509 2.929 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1301567387 WKJMQSKDZFWBFZ-HSZRJFAPSA-N 460.582 2.990 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCCN2CCCO)c1 1302986102 DQWROMXLGXDVJE-LJQANCHMSA-N 478.519 2.557 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1)OC 1305358000 FFYAGJYKAKZAIS-VGOFRKELSA-N 454.575 2.895 30 10 JFEE C#C[C@@H](NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 1312934019 HKIAQDHGVJBHLI-UXHICEINSA-N 458.534 2.753 30 10 JFEE CCCNC(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@](C)(C#N)C1 1313475976 HYLFJIIDKUJNBF-HSZRJFAPSA-N 486.646 2.593 30 10 JFEE CS(=O)(=O)C1(Cn2c(COc3ccc(Br)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316335371 CJMMIZPCFNMAOT-GOSISDBHSA-N 498.378 2.639 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 1358902959 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1588034796 LZOGKBCMJGTOAM-LEWJYISDSA-N 487.582 2.829 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1588049783 LFBXFQADCPXNEO-LJQANCHMSA-N 468.627 2.785 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588055500 WPPXTGKCYVVCTD-AABGKKOBSA-N 477.656 2.511 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)Cc2cc(Br)ccc2O)c1 1588193172 NMZZGYILYSNYPZ-UHFFFAOYSA-N 451.342 2.729 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1588253961 KWMIJPOROANSLH-UHFFFAOYSA-N 486.576 2.609 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccsc1 1588581424 QQFYZUHGSYBKNQ-UHFFFAOYSA-N 458.613 2.742 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cccc(C)c1 1588604868 RPCWQRAUFCMPAG-UHFFFAOYSA-N 452.946 2.818 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1588790781 BTORUWVXRDUOBD-JOCHJYFZSA-N 494.640 2.756 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)CN2CCCCC2)CC1 1588929766 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1595366710 KILLYHNNDCUFEE-CQSZACIVSA-N 477.382 2.822 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(OC(F)F)c2)C1 1595743815 GTTNROVNKZJLNK-SFHVURJKSA-N 459.501 2.966 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1595838739 ZIAVHHCKOWFFOT-BGYRXZFFSA-N 476.691 2.759 30 10 JFEE CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1603222976 CCXAUKFIQKYSLZ-YADHBBJMSA-N 451.619 2.957 30 10 JFEE CC[C@@H](C)N[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccco1 1611302985 GQGDFQFICDYNCL-UTKZUKDTSA-N 458.584 2.798 30 10 JFEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1614714317 GPHCDRBFGMHEBP-QHCPKHFHSA-N 451.619 2.850 30 10 JFEE CN(CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)C(=O)OC(C)(C)C 1618225284 BENRUUHJHJCFGG-JOCHJYFZSA-N 472.525 2.624 30 10 JFEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)C1=O 1625609224 FIKFWYGJJQEODH-INIZCTEOSA-N 455.328 2.675 30 10 JFEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3C3CC3)cc2)CC1 1626791400 CNVAZTPPJANLMI-UHFFFAOYSA-N 452.536 2.541 30 10 JFEE C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C[C@@H]1NC(=O)C(F)(F)F 1679076622 IEVIKHCHSQMXMG-MFNRNEDNSA-N 453.465 2.742 30 10 JFEE C#C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1682276839 XWZZHJBVDKXKMR-WBVHZDCISA-N 454.390 2.657 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CSCCS2)c1 1689871898 INBBCKCQDLZYRJ-MJGOQNOKSA-N 457.625 2.687 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1689984738 UJHNKERBENEHEW-GOSISDBHSA-N 479.002 2.827 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1689986383 OIOFKCSNGIFGLJ-LJQANCHMSA-N 483.569 2.943 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992021 GBZHGUOIGFUFAZ-RRPUWOKSSA-N 485.654 2.732 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC[C@@H]1CC 1690013099 BEXSIZSFVHDUKA-FQEVSTJZSA-N 457.582 2.529 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690034521 KHZWWJGHZXMKFO-LEAFIULHSA-N 491.636 2.683 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H](O)C1 1690091609 YWOOZDHQPQDYDA-SFHLNBCPSA-N 460.575 2.510 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1690117398 GFZVWEJFXLPKRJ-UHFFFAOYSA-N 454.937 2.548 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC(=O)N(C)C2CCCCC2)CC1 1690133680 PPAKPFXRSUXWEU-UHFFFAOYSA-N 494.640 2.802 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1690148434 GZRPCEUOCGJPHO-HXUWFJFHSA-N 488.592 2.706 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCSc2nccs2)CC1 1690152518 OATBNSZMRKIKQM-UHFFFAOYSA-N 498.682 2.744 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690155316 IMXVQXSVOXGRKS-VQTJNVASSA-N 466.611 2.761 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCCC 1690203085 PSEHPYVRHUZTSF-RUZDIDTESA-N 461.570 2.754 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1690234460 FGRJFVXSPTYNFL-YLJYHZDGSA-N 481.395 2.633 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1690252960 KXKJLUAKBHTPQF-FVJLSDCUSA-N 457.600 2.872 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690432828 MRGFBGZJBNGQSU-IBGZPJMESA-N 492.602 2.758 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690437884 RURDSWWBSLRTGO-NRFANRHFSA-N 457.667 2.608 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1690561598 VSAMIRHOVCZZTG-UHFFFAOYSA-N 452.603 2.818 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1690666943 LUQXJJSCHPZWBM-NQIIRXRSSA-N 463.586 2.640 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691545517 DLMDDXXUEVDLRP-RUZDIDTESA-N 456.554 2.817 30 10 JFEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2)OC 1695115187 DQBWULDHSIVRAL-LJQANCHMSA-N 454.531 2.623 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)c(C)s2)c1 1705505490 OQKBSPKFCKLKBO-LJQANCHMSA-N 477.594 2.601 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccncc2Cl)c1 1705507216 VHYCGQQPHBCZQZ-GOSISDBHSA-N 450.930 2.935 30 10 JFEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(=O)NCC)CC1 1705527346 VKBAEWNBPIJLCW-GOSISDBHSA-N 454.644 2.803 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705563766 DYEHHXHSCGGNHL-SFHVURJKSA-N 457.987 2.806 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1cccc(COC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705568095 HOCFOVOOWQZYGV-NRFANRHFSA-N 474.627 2.805 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccccc1Cl 1705626988 QAGQYBBPUJKTPV-QHCPKHFHSA-N 471.945 2.653 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(N(C)C)c2)CC1 1705634166 LUVCJPRGTKSIPD-UHFFFAOYSA-N 468.403 2.905 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(N(C)C)nc2)CC1 1705646069 PULZJCHDKHLJKN-UHFFFAOYSA-N 457.582 2.729 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1705653084 YJSOBRZFQNNAPD-UHFFFAOYSA-N 484.582 2.837 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705730819 OZWAWCPESFDGEJ-SFHVURJKSA-N 470.599 2.646 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCSC1 1705736147 LULNJRBIJADHNG-INIZCTEOSA-N 450.634 2.773 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOC)CCCC2)CC1 1705782342 VBMQGYWPPXLGTL-FQEVSTJZSA-N 481.663 2.610 30 10 JFEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705835932 YVLNIXKSIYZFDQ-GBXCKJPGSA-N 459.591 2.916 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1705862039 WUZLUVBAYNBBJW-FQEVSTJZSA-N 459.616 2.994 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1705875836 HOQOJEYGJLTASJ-GOTSBHOMSA-N 485.654 2.741 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705887305 YJMVLWIRPXVWNY-WIYYLYMNSA-N 455.559 2.830 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705932714 YQVXCWDYPFMPDX-RXVVDRJESA-N 470.599 2.735 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1705937390 SETURCLNODRKII-HSZRJFAPSA-N 462.591 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1705937731 CPUHDZOMSOUXEZ-CALCHBBNSA-N 461.613 2.660 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1706248302 AWUOVZKCXQOVGY-RUZDIDTESA-N 460.586 2.726 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCOc2ccccc21 1706867404 DGZSGWHNHZYIJO-AEFFLSMTSA-N 458.588 2.585 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1706917531 GOIZCFIINSEAEE-AUSJPIAWSA-N 467.954 2.948 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)Cc1ccccc1 1722298181 WYKHPRJRUXRVBU-LJQANCHMSA-N 462.579 2.590 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722319519 MNDKVJYRQWWGSM-UHFFFAOYSA-N 478.622 2.968 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722324926 BKDARVBLLBTLFI-HXUWFJFHSA-N 471.627 2.895 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722337193 WCAQZZGDDIAFNH-FQEVSTJZSA-N 475.597 2.831 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722339669 XLXXBVQLJUFVEQ-HXUWFJFHSA-N 452.515 2.939 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1722359877 QJTPFBOGQZEZPB-IBGZPJMESA-N 470.986 2.566 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCSCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722368676 UQYHGFUUDDAZRE-NRFANRHFSA-N 493.743 2.855 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1722371175 HNADZGFBUFNEOH-QFIPXVFZSA-N 470.639 2.913 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H](C)N1CCCCC1 1722383532 IYOTWOKDFFRRLZ-FCHUYYIVSA-N 484.645 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CSCCS1 1722394317 RTLUPIITRBQRRX-KRWDZBQOSA-N 474.681 2.550 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2ncn(C)n2)CC1 1722430560 FFQHGLNPNXTHGL-SFHVURJKSA-N 468.993 2.620 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722450430 IIHWLCIZMJKNPS-WIOPSUGQSA-N 488.592 2.676 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCN1CCC[C@@H]1CO 1722476366 RZUAMVHEHJASKH-ATIYNZHBSA-N 462.598 2.958 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722500520 IZOBLXNIGKCKNK-GOSISDBHSA-N 472.619 2.537 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1722501999 HJDQACVHTAJAOB-CYFREDJKSA-N 466.586 2.765 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1722546957 FITOBUUZOJWJRM-UHFFFAOYSA-N 485.789 2.809 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1722669313 QESLFGGFWQEAKA-UHFFFAOYSA-N 475.475 2.532 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1722678752 XJHHVERBGGVGMP-XMMPIXPASA-N 468.627 2.663 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1722685572 BQRQIPATDSFISK-SFHVURJKSA-N 473.553 2.633 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COc3ccccc3O2)C1 1722708801 DFZOMQZSDZDMIB-RBUKOAKNSA-N 455.559 2.818 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccn3)nnc2N2CCC(CC#N)CC2)s1 1724447927 BHXIHRAXNAOQMM-UHFFFAOYSA-N 471.612 2.819 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCOCC2)C1 1729647086 CBXFIVMBLMLOPU-HSZRJFAPSA-N 484.626 2.603 30 10 JFEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)C1 1730997252 AKRSQTCLRLCXLW-QFIPXVFZSA-N 486.642 2.618 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740619464 OUMYRXJAUKGEFO-HUUCEWRRSA-N 499.456 2.821 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740625380 QGDYLGIEANMBEP-QFIPXVFZSA-N 455.628 2.752 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)CN1CCN(CC)CC1 1740634047 CVYZOJJPYIEPDR-JOCHJYFZSA-N 455.610 2.840 30 10 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JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](CC)OC)CC1 1749005354 VHHVARYDODSIQK-MJGOQNOKSA-N 457.550 2.948 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2nccs2)CC1 1749019175 NLJQZIHMQULDQQ-UHFFFAOYSA-N 480.594 2.531 30 10 JFEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749106591 FOIDVRROIHMGTP-NVXWUHKLSA-N 461.364 2.665 30 10 JFEE C=C(Br)Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749112769 OPASGLLPOWYDTD-MELADBBJSA-N 471.400 2.658 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1749128513 XESLTHZVTATOTK-XFKSJGNHSA-N 474.606 2.561 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749139896 JRQBWWKLVUIUIB-YZIHRLCOSA-N 489.661 2.995 30 10 JFEE C=C(Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1749246627 HCJCJLKTUOKGJS-SANMLTNESA-N 483.613 2.764 30 10 JFEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749246631 HESOUMUQFSTBPM-GOSISDBHSA-N 456.978 2.913 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)C(C)C 1749558115 QNELTHOKSKGMKG-QFZWGZQFSA-N 467.618 2.818 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1749587483 WHONYHQZDLQHCP-JOCHJYFZSA-N 476.986 2.976 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749669536 LRQBJDGZOBOGHJ-YLJYHZDGSA-N 498.584 2.538 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(F)(F)F)cc2)C1 1749698759 XSPOFZXJTBVROO-WMLDXEAASA-N 489.520 2.617 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1750127349 FJTBPABINZKITM-FYYLOGMGSA-N 482.629 2.730 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCN2CCCCCC2=O)c1 1750381006 FTBWADAKYKTJGF-HXUWFJFHSA-N 463.586 2.701 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)C(=O)OC(C)(C)C 1760111630 PYQNGJMBSXZCDB-QGZVFWFLSA-N 479.585 3.000 30 10 JFEE 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2.939 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1760525435 GDDFBDCYPCXENR-UHFFFAOYSA-N 461.595 2.821 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2nccs2)C1 1760527146 ZRYYOMBFNHLELW-IBGZPJMESA-N 468.583 2.811 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760532164 MKJBXSCAPPCQPU-LJQANCHMSA-N 476.537 2.928 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCOC2)C1 1760543086 MUTZIDSZQLSLRG-ZCNNSNEGSA-N 477.606 2.794 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1760552487 PQCGGWOQVBSOGM-UHFFFAOYSA-N 453.490 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760553539 VLMCCIJOLWLDSN-MRXNPFEDSA-N 478.018 2.694 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1760553829 JDIHQBJALKXGJP-JKSUJKDBSA-N 456.572 2.820 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 1760557928 AKJWQPZIAOWDRM-TZIWHRDSSA-N 488.658 2.519 30 10 JFEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760561017 NJULYDGVYZTZSC-QHCPKHFHSA-N 473.599 2.607 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)C1 1760580915 FMMQEDWAYXKUEI-GMAHTHKFSA-N 466.586 2.707 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1761076701 GZCHPHSNMCJELD-OAQYLSRUSA-N 465.602 2.880 30 10 JFEE CCc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](F)(C#N)C2)no1 1762742585 AWXIXSTXNDDFSG-QFIPXVFZSA-N 452.494 2.777 30 10 JFEE CCCN(CCC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1764352920 HZXNUGFGQNGIIZ-OAQYLSRUSA-N 450.591 2.543 30 10 JFEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1765453638 AJDKEYUOHTTYCQ-LVCYWYKZSA-N 458.632 2.949 30 10 JFEE Cn1nncc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1767535007 DDKFCQSIJYIUBG-GOSISDBHSA-N 451.293 2.783 30 10 JFEE CN(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1768479358 IDVPUAXGKQJYMA-SFTDATJTSA-N 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2.584 30 10 JFEE Nn1c(NN=Cc2ccc(Br)cc2)nnc1SCC(=O)NCc1ccc(F)cc1 1084109924 PQUQXJGPRODMFT-UHFFFAOYSA-N 478.351 2.748 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)n1 1139833173 CJTFXTPISCNSAW-UHFFFAOYSA-N 452.902 2.501 30 10 JFEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1 1170073536 HSMVEIFQBQQYLV-UHFFFAOYSA-N 453.453 2.603 30 10 JFEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1286318619 WVFIOFUSRJNOOO-HNNXBMFYSA-N 461.339 2.864 30 10 JFEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286354800 WITQWDHXPXQYMD-IBGZPJMESA-N 468.627 2.871 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1286386939 KCQVMZMSTBOMIW-HXUWFJFHSA-N 452.584 2.545 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1286390074 WETKKECGEAEJMV-INIZCTEOSA-N 477.537 2.725 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286392330 LLNKBWYVLZUIAP-IRLDBZIGSA-N 479.606 2.667 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)c1nc(C)cs1 1286410129 WTJAFAOULNQCMS-MRXNPFEDSA-N 457.563 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286415764 KLOXDIIVIJDYMC-SFHVURJKSA-N 461.488 2.823 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1286458192 MJUWRVUWXRNLPM-JOCHJYFZSA-N 468.621 2.977 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1286473804 XSEWFVHQYURXHP-QFIPXVFZSA-N 481.494 2.892 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)[C@H]1C 1286504426 QZGWKOAWMAUOKK-CVEARBPZSA-N 464.686 2.935 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 1286562931 BKHOVYIBSILNBV-PGRDOPGGSA-N 471.558 2.735 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1286582112 RFBHCLXELWRIOU-INIZCTEOSA-N 458.588 2.526 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286667034 NOYUKSOUAPIKIR-UHFFFAOYSA-N 468.650 2.789 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1286682564 AOUZHEJNICZELX-VQIMIIECSA-N 451.568 2.962 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286789875 YIBBFXHBLQUQIL-UHFFFAOYSA-N 463.439 2.546 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1286803825 KDXUKNFTAISOSH-NFBKMPQASA-N 454.619 2.761 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@H](C2CCC2)C1 1286814891 HNMLVMMNKTZAFN-MRXNPFEDSA-N 498.447 2.889 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286815326 RSSABUPLUHHNRJ-HNNXBMFYSA-N 464.897 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](COC)C1 1286816055 HSYYLUQLHKVZJZ-OAHLLOKOSA-N 499.431 2.790 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286822310 CRBFJWHTPVQWCR-LJQANCHMSA-N 482.614 2.563 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 1286832459 TXTRJEPZQOXERS-JKSUJKDBSA-N 471.674 2.789 30 10 JFEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1300404243 UIOVAAKMWMZRMI-UHFFFAOYSA-N 453.909 2.903 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(N2CCOCC2)CC1 1300520987 QYRXWNQARRLUOD-UHFFFAOYSA-N 463.582 2.679 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H]1C(=C)C 1300578413 CIDITDDAPWYURA-XXBNENTESA-N 456.550 2.636 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1300693037 QHOKJTJDCLKCJV-IBGZPJMESA-N 453.591 2.598 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cc(Br)cn2)CC1 1300710790 LJRBBWMBEOUQAY-RTBURBONSA-N 490.450 2.611 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CSC)c2)CC1 1300727145 UKSTWIJUNHOQRV-NRFANRHFSA-N 453.612 2.659 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300871286 BFMZKDUPXPTTSD-RXVVDRJESA-N 481.601 2.648 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1300875381 OXAHGSDSZZKPFA-UGKGYDQZSA-N 481.576 2.735 30 10 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C=CCS(=O)(=O)CCn1c(N2CCCN(c3cc(OC)cc(OC)c3)CC2)nnc1C(C)(C)C 1301596148 IYGNQJJISAEKKF-UHFFFAOYSA-N 491.658 2.910 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1302222397 ANFYICYIBVRRHZ-MOPGFXCFSA-N 492.646 2.567 30 10 JFEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1303013259 AGZJFYDAGVSIQE-UHFFFAOYSA-N 494.017 2.580 30 10 JFEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)N1CCOCC1 1304057882 FPZQROMNDFCTGJ-MRXNPFEDSA-N 465.583 2.832 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2C[C@@](C)(O)C(C)C)n1 1304762588 BGVMXEBSZICCND-AREMUKBSSA-N 476.629 2.741 30 10 JFEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1351797116 BPGNZWQMPIBUID-GOSISDBHSA-N 452.486 2.643 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccc2[nH]ccc12)[C@H]1CCS(=O)(=O)C1 1358955325 JYCIQHOZNSKLGT-FQEVSTJZSA-N 496.637 2.547 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C[S@@](C)=O)cc1 1358981144 YAMVMIOCXSYNSA-MGBGTMOVSA-N 456.575 2.516 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCS1(=O)=O 1359015231 MKQUHQXOGTVPFZ-OAQYLSRUSA-N 489.617 2.943 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2(O)CCOCC2)CC1 1359031764 OMRNELSFQJJDEB-UHFFFAOYSA-N 451.615 2.929 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)[C@H](C)CC)CC1 1359039875 ZNYMJSLVAHGYCX-OHUGHZGNSA-N 474.650 2.902 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CCc2ccccc2)C1 1359077400 BIBFFHABFBJAJG-FUHWJXTLSA-N 498.447 2.635 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359091711 QUSXOSVNGIUAIL-HBFSDRIKSA-N 483.573 2.622 30 10 JFEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359220441 ZDGFIIYELPBHRW-IBGZPJMESA-N 464.574 2.972 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1359228883 RRCOCSYZERKILW-UHFFFAOYSA-N 480.613 2.654 30 10 JFEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1359283511 WPSZCBFTBDEPPG-QWHCGFSZSA-N 454.394 2.961 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359285563 QLGDJJCXJGPYBO-UHFFFAOYSA-N 482.629 2.919 30 10 JFEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359289899 TYJGWKSBHGRBDO-SFHVURJKSA-N 460.542 2.819 30 10 JFEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(F)(F)F)CC1 1359477857 HSDKMCIAUPLEKB-MRXNPFEDSA-N 475.519 2.948 30 10 JFEE CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1360065685 GPIUDHASYCRELA-IFMALSPDSA-N 487.626 2.805 30 10 JFEE Cc1ccc(C(=O)NCCn2c(Cc3cn4ccccc4n3)nnc2N(C)C[C@H](C)C#N)cc1 1361122220 FWMNOYQDIONRSC-LJQANCHMSA-N 456.554 2.851 30 10 JFEE N#CC1(CNC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)CCC1 1451663422 DORYXFTWGRWJDK-UHFFFAOYSA-N 452.580 2.617 30 10 JFEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ncc(Br)cc1I 1457919366 WZOATHZNFXQLSB-NSHDSACASA-N 452.090 2.858 30 10 JFEE C=CCn1c(SCC(=O)NCCNC(=O)NCC)nnc1-c1ccc(Cl)cc1Cl 1468335317 QCUFXVAJYMSVDH-UHFFFAOYSA-N 457.387 2.965 30 10 JFEE 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BWRAIFWFQGXSNU-CQSZACIVSA-N 450.312 2.881 30 10 JFEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705526201 BZHZPYQLVDUWAJ-INIZCTEOSA-N 480.432 2.887 30 10 JFEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705536315 NBQWWCPZLZDKKD-UHFFFAOYSA-N 463.630 2.590 30 10 JFEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705538468 PQSXUUIILWAYMK-UHFFFAOYSA-N 459.616 2.748 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1705561605 VAQALFZHIDFBBL-PMACEKPBSA-N 487.651 2.670 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566077 XJYKLMRJOSGHEG-JAXLGGSGSA-N 455.628 2.692 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705568032 FWXYBIABSGQUOY-XPWALMASSA-N 499.681 2.913 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OCC(F)F)CC1 1705648564 UOKSALFCCMGTIT-IBGZPJMESA-N 488.539 2.573 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC2CCCC2)CC1 1705652635 HPBQUWLLWFGVMT-VXKWHMMOSA-N 457.619 2.938 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOCC)CC1 1705655122 DNTWTIFWSSAXJF-UHFFFAOYSA-N 481.464 2.571 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C(N)=O)CC1 1705655327 BKRYPHRHDXTJAF-UHFFFAOYSA-N 466.380 2.915 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1705777233 ANLMKAYTFQGHCM-UHFFFAOYSA-N 478.553 2.916 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705827047 RWVJOBQFCDZEPO-LJQANCHMSA-N 490.406 2.950 30 10 JFEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705832774 IAVRVPMXBMKZTJ-BURNTYAHSA-N 491.633 2.898 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(F)(F)F)C1 1705898329 ILZQSWXHKGRQKG-AWEZNQCLSA-N 492.271 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccc1OC 1705932295 RGUVGRWECNKOIH-UHFFFAOYSA-N 462.963 2.634 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](COCC)C1 1705933960 XHWBEBQXLRYFDP-MRXNPFEDSA-N 453.996 2.847 30 10 JFEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1705946200 BMKLBQOEYIOSOB-IAGOWNOFSA-N 453.609 2.731 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=C)Br 1722297423 ZYWBICFGZZVQOD-GJZGRUSLSA-N 454.369 2.953 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722360291 SMUMZMRHBSJZHL-OALUTQOASA-N 475.571 2.541 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1722360377 UHBBYKVKRPLLLB-MOPGFXCFSA-N 484.578 2.949 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC)[C@H]1CCS(=O)(=O)C1 1722364934 MVMLDCYGARMXRV-HKUYNNGSSA-N 481.018 2.961 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1722366461 QEWCNRLWPRKGOK-MISYRCLQSA-N 460.575 2.642 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H](F)c1ccc(Br)cc1 1722418949 JDFPKSGJRPQBKC-QGZVFWFLSA-N 466.355 2.976 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1Cc1ccc(N2CCOCC2)nc1 1722422200 MSIYBKAMJBJCJN-UHFFFAOYSA-N 464.545 2.873 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1722440018 AORKEDYJVUBYTG-PMACEKPBSA-N 470.643 2.620 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2nnc(C)s2)CC1 1722443281 QJCNFZFWUYOFRY-UHFFFAOYSA-N 485.017 2.752 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)CCCO1 1722450170 ZCSQLECDYWNCAS-VWLOTQADSA-N 464.570 2.891 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722465064 WWANXPKEAXVTSG-KZNAEPCWSA-N 460.604 2.832 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1722593151 JEUXDWPEDUVQMH-UHFFFAOYSA-N 463.652 2.731 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722607555 WZOHXSRPSHUYNA-UHFFFAOYSA-N 462.514 2.640 30 10 JFEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722621382 SQNCVXSJLZYEHM-UHFFFAOYSA-N 458.950 2.997 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1)C(C)C 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C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1690132246 MUWVBZYIDLUYJE-NHCUHLMSSA-N 497.713 2.781 30 10 JFEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690181249 RCQOSECTZGCLQY-QFIPXVFZSA-N 467.639 2.647 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCc1ccco1 1690265406 OCSKBJQYOWUMKJ-UHFFFAOYSA-N 464.574 2.764 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690346689 ZPTGTTUULWGZFK-HNNXBMFYSA-N 479.981 2.769 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1690361568 YXLCHKXRVDRBDK-JOCHJYFZSA-N 452.603 2.864 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1690559239 BPJGMDVCVSEVNH-UHFFFAOYSA-N 485.596 2.605 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690676294 VRUAUJLMLWPBQU-IBGZPJMESA-N 481.626 2.807 30 10 JFEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690750370 HUMHWQMVLUSNOZ-HXUWFJFHSA-N 488.589 2.682 30 10 JFEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1695840028 BYDFGTBTFLBVHX-SFTDATJTSA-N 456.616 2.705 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCC2CCCC2)c1 1696621083 DYGBWHYJFGXWJM-HXUWFJFHSA-N 472.615 2.895 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705531242 CUFICBIKRDUHRT-UHFFFAOYSA-N 468.583 2.874 30 10 JFEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1705538385 MQNIZQBOCPQOBD-MOPGFXCFSA-N 458.607 2.944 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705568515 OVXGMONASHRGPM-DHIUTWEWSA-N 499.681 2.833 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1705628516 JPJXCZFVUGRDTJ-IBGZPJMESA-N 452.534 2.826 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1705634417 VANNVPXDNLTJIY-OALUTQOASA-N 469.586 2.541 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(Br)cs2)CC1 1705635382 XVHRSZFAVRSUMD-FQEVSTJZSA-N 480.432 2.558 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CC(F)(F)C2)CC1 1705645868 HSGXDMSYRJTMQY-UHFFFAOYSA-N 473.524 2.973 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCC[C@H]2C)CC1 1705651263 PNEUZJPULMFMAQ-OAQYLSRUSA-N 464.614 2.616 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1705658762 ACUWLXGXCIMRHV-GOSISDBHSA-N 481.626 2.507 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705663796 QLTXNTZOJAONDK-FCHUYYIVSA-N 456.612 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705702733 OGEBZGSMYQWRPI-KNQAVFIVSA-N 455.607 2.973 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705721653 OFDPGZBIYYECDO-FQEVSTJZSA-N 498.429 2.971 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705734211 HJKFXJCYACCSHR-UHFFFAOYSA-N 455.607 2.746 30 10 JFEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCNC(=O)c2cc[nH]n2)CC1 1705772004 JNUIEVGCSZVGCA-UHFFFAOYSA-N 453.572 2.889 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1705775643 HZNCORKPALFVOK-OAQYLSRUSA-N 466.586 2.985 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CN(C)C(C)C)CC2)CC1 1706002404 CFZYROYPNZLBKU-UHFFFAOYSA-N 492.672 2.537 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCC(C)CC1 1710731743 FBXJUFBVHXATDC-UHFFFAOYSA-N 452.607 2.530 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1ccc(C)c(F)c1 1722400028 XRXZCTUTGBRPSJ-UHFFFAOYSA-N 464.570 2.974 30 10 JFEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCCn1cc(Br)cn1 1722433025 XPRUZKATLJNHSN-UHFFFAOYSA-N 474.363 2.905 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H](C)C1CCC1 1722509234 OFJPGNVTPQOEEI-WLRLJWMZSA-N 481.663 2.607 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722520131 VGGZJCBEQDUJMP-AZUAARDMSA-N 456.566 2.876 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1722542422 AREZVKHSCRPXEZ-JKIFEVAISA-N 457.959 2.746 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1722554296 DAKSYCRBBIZSKO-QGZVFWFLSA-N 475.949 2.668 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1)c1ccccc1 1722597035 PWYOFSAYZJEALV-RTWAWAEBSA-N 471.627 2.632 30 10 JFEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722602562 GIRNCGWIGFRTGK-UHFFFAOYSA-N 450.547 2.754 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncn(C)n1 1722655916 UGRXHWBCOUSRLL-DEOSSOPVSA-N 462.558 2.560 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722699172 CTBOCOJFKCZEFV-KRWDZBQOSA-N 458.557 2.760 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(Oc3ccc(C)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1722703851 JRGTVFRNGVTKFH-VWLOTQADSA-N 469.586 2.589 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(C(=O)N(C)C)c2)C1 1722721881 XNMQDOBTHWMHGZ-HSZRJFAPSA-N 477.613 2.866 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722729347 JLZBKRPTYAFLBY-MRXNPFEDSA-N 489.539 2.682 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722732143 VKOWXVUOVINSMS-IEGUWTFLSA-N 492.646 2.780 30 10 JFEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)cn1 1728528487 ANUQWRCAGIIJMU-HXUWFJFHSA-N 453.572 2.637 30 10 JFEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1730776277 IEMGWDPNTKNAOX-FQRUVTKNSA-N 493.612 2.772 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1740539951 WXORORUSGBFZBL-XHNVNVPESA-N 453.587 2.965 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740617051 KVDYDVHCAJQLBP-XTJBDQBJSA-N 486.638 2.749 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740618928 DLKVLAQIKKZJRD-HXUWFJFHSA-N 462.019 2.711 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCS(=O)(=O)C1 1740648130 CZSRZZJMGSFXQP-QZTJIDSGSA-N 460.987 2.969 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCC 1740653247 FYJAHFHXLVFWFN-FQEVSTJZSA-N 457.582 2.529 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1740691797 DPTMQLXGIUJEHT-OAQYLSRUSA-N 466.630 2.840 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1740695568 XCRRNQJZWZNRED-CCLHPLFOSA-N 491.640 2.617 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@](C)(O)[C@@H](C)CC)CC1 1740695569 XCRRNQJZWZNRED-DCFHFQCYSA-N 491.640 2.617 30 10 JFEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1740946443 QZDPHKBKIASGTL-SFHVURJKSA-N 463.586 2.994 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C1 1740986441 XOAZJLDKGIQMKI-CEXWTWQISA-N 472.594 2.512 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 1748719494 ZPLNKGAMXMIERM-OAQYLSRUSA-N 488.633 2.743 30 10 JFEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1748761304 TYSNJCZXZVCEGF-YKSBVNFPSA-N 482.604 2.789 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748810212 TZALXGFUMMLSMP-QGZVFWFLSA-N 496.008 2.527 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748815341 PEDBNFOKAVFJFC-KRWDZBQOSA-N 468.501 2.772 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748818671 DFTQREADEIJMEU-QHCPKHFHSA-N 480.638 2.789 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748823982 GPMOTWBTHWDULR-LJQANCHMSA-N 490.601 2.972 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(N(C)C)CCSC2)CC1 1748983380 OWMWVLGAYNUCJY-QFIPXVFZSA-N 463.026 2.930 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1749066151 HKOLXBFVEPXLCK-VMIIQTFKSA-N 461.676 2.930 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccccc1CC 1749126253 AEIJBEMYWFTGCJ-RFWXGWTQSA-N 466.586 2.848 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1749222417 HMXVQQLCTLIDRL-UHFFFAOYSA-N 495.584 2.717 30 10 JFEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(=O)N1CCOCC1 1749255532 BBKVSPJSGZTRMQ-UHFFFAOYSA-N 472.746 2.894 30 10 JFEE COC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749289372 FYJTVLCKGYGEMN-GOSISDBHSA-N 452.559 2.716 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N(C)C)CC1 1749328798 CGYJUUWZVBHZKW-WBVHZDCISA-N 452.650 2.655 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1749680557 MKRSKYFGSIJNHK-UHFFFAOYSA-N 456.616 2.628 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCN(C(C)=O)CC2)C1 1749719443 VONPRWUJYBDZNP-HSZRJFAPSA-N 469.586 2.906 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C)CC1 1749760749 LJGSLDUNNVOLIN-UHFFFAOYSA-N 484.655 2.614 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 1760184057 UXWDQSHAYDYIPA-RBUKOAKNSA-N 459.591 2.694 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760198965 MCQJUEBVIJEKKZ-WOJBJXKFSA-N 451.571 2.534 30 10 JFEE 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C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)Nc3ccccc3F)nnc12 9550123 FBKVKIQCYIYZEE-UHFFFAOYSA-N 467.482 2.643 30 10 JFEE COc1cccc([C@@H](CN2CCN(C(=O)COC(C)=O)CC2)OCc2ccc(C#N)cc2)c1 22651818 OXEQOVCGFVSPPY-XMMPIXPASA-N 451.523 2.532 30 10 JFEE COC(=O)c1cccc(N/C(=N/C(=O)c2ccc3c(c2)OCO3)NCc2c(C)nn(C)c2C)c1 32972447 HYQZAZXUJRRZCZ-UHFFFAOYSA-N 463.494 2.950 30 10 JFEE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814831 DHFJZUNGRKGNGQ-KOEQRZSOSA-N 486.485 2.619 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccc3O)n2)cc1OC 59830430 GMKNBJUQZQDPSM-AFUMVMLFSA-N 470.555 2.815 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 107553674 UNFZHVATAVLNPP-UHFFFAOYSA-N 468.501 2.964 30 10 JFEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(N(C)C)cc2)c1 170128572 KNIKIKBAAFCBJN-QFIPXVFZSA-N 453.539 2.910 30 10 JFEE COc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2-c2ccc(OC)cc2)cc1 254808866 QNWDYVMJASULBS-UHFFFAOYSA-N 469.522 2.697 30 10 JFEE 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30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286549534 XWCUKIYDAAXGJG-ZCNNSNEGSA-N 488.633 2.941 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1286563154 OEIBARXXNHGTAK-ZYLNGJIFSA-N 490.649 2.542 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C 1286563812 RCMOXAFYSNGMAL-VWNXMTODSA-N 480.657 2.995 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)CC 1286570393 XTYZPGLOSXGNGJ-PMERELPUSA-N 452.650 2.718 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635624 XNQKIMKFXOXWCR-QFIPXVFZSA-N 467.014 2.799 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)O[C@H](COC)C2)cc1 1286797428 XBZAJSYXZVZCPO-REWPJTCUSA-N 466.586 2.993 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)C1 1286800931 TWXSFYIEEZGOLO-APWZRJJASA-N 458.588 2.508 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286817832 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CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CCCC1 1314652148 DLZKYQRQSGTXHV-OAQYLSRUSA-N 499.685 2.799 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC(C)CC1 1315653126 CSPUIQBLFBZUQE-HXUWFJFHSA-N 454.575 2.716 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(NC(=O)OC)c1 1358940144 OTVCIEOQVBHNNP-UHFFFAOYSA-N 481.582 2.843 30 10 JFEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CCC)[C@H]1CCS(=O)(=O)C1 1358966248 KUCAJSSDFASKKW-INIZCTEOSA-N 467.389 2.656 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1358983697 SCMQHMYJHGUIQD-UFYCRDLUSA-N 459.591 2.624 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnc(C)s1 1358993976 AYAIEBDHQBRZIX-IBGZPJMESA-N 470.599 2.863 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)CN2CCCC2)CC1 1359031686 LSRXDYOKWWXGGZ-UHFFFAOYSA-N 451.575 2.731 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)CC1 1359042777 TYERMAHTWNTIQF-UHFFFAOYSA-N 483.016 2.967 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359048444 QWGOINJYFFTYPS-NRFANRHFSA-N 482.654 2.672 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1359092621 CZAQPCUOMHTEGO-ZJOUEHCJSA-N 478.615 2.858 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1359093488 OGZSOBKVGRBFSH-NZGUISNBSA-N 460.600 2.943 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)COC)CC1 1359128802 GHPJOZVMZQANKN-UHFFFAOYSA-N 492.418 2.904 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359226370 DOAQBGABNWKJPM-ZRBLBEILSA-N 488.677 2.739 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359296666 QHOCELYHZYWSFD-MOPGFXCFSA-N 455.559 2.802 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOCC2(C)C)C1 1359323637 TVYYASAWSVSRES-OAQYLSRUSA-N 455.603 2.770 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC2(CC2)C1 1359327184 UWMAOJHGLZPNRE-UHFFFAOYSA-N 478.018 2.843 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@H](COC)C1 1359327693 IFZPHQXPEIFYQV-HNNXBMFYSA-N 486.436 2.889 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359334138 UPIQYIZMGIJLKB-OAQYLSRUSA-N 487.651 2.683 30 10 JFEE COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1478071210 CBMOZFGLOWFOBO-UHFFFAOYSA-N 456.934 2.784 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2o1 1507564681 UXLIECAIVYVOFA-OAQYLSRUSA-N 471.583 2.797 30 10 JFEE C#CCN(c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507624834 FFUFHMOYBZRRMQ-AWEZNQCLSA-N 492.026 2.528 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1507628973 JFYXMWBIZVDWDW-OALUTQOASA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507633768 GYDQSUHGMGCLGJ-RZUBCFFCSA-N 491.702 2.525 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C(=O)NC)c1 1507661619 BKQMVDTWQZBKRR-UHFFFAOYSA-N 479.382 2.917 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nncn1CC 1507664276 KACPXEVFDKHKDP-UHFFFAOYSA-N 456.323 2.969 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1507721168 ZKEARYGFLXJJNJ-ZJSXRUAMSA-N 474.005 2.727 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2c(OC)cc(OC)cc2OC)CC1 1507734366 WLMVOYQEOCRCOV-UHFFFAOYSA-N 483.613 2.810 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507792509 ZBPXDCJNZAJGGS-SBHAEUEKSA-N 475.634 2.952 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C#N)C1 1507810767 LYEAWXIWGCNYFJ-YYDVJCTNSA-N 453.543 2.966 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1507879978 GWTJADYCKSHKNJ-QRVBRYPASA-N 452.669 2.801 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1508078625 FLUVGYISLBLNFH-GOSISDBHSA-N 498.628 2.643 30 10 JFEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1508106712 VZWAARKLUSRUFC-FQEVSTJZSA-N 452.603 2.723 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1508135011 CQTFVCFUAOGESI-UHFFFAOYSA-N 488.639 2.646 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1508135927 PNUZTBLLCZVDCF-INIZCTEOSA-N 494.614 2.575 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1508136587 TXLAGQURAOBWMB-SFHVURJKSA-N 455.584 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1508146197 VGLFWWQGMSDELC-IBGZPJMESA-N 474.631 2.636 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1508152949 VEXRTHFCSMLGJM-IBGZPJMESA-N 478.688 2.751 30 10 JFEE Cc1ccccc1C1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1511227694 ASMDTMGVGJQMOI-DEOSSOPVSA-N 454.550 2.915 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN(C)C1CCCCC1 1513922351 ACDMURKZDZPFTA-LJQANCHMSA-N 451.623 2.872 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(OCC)c1 1539014519 LVODPMCNALGSFE-ZBFHGGJFSA-N 468.526 2.687 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H]2CCCN(C(C)=O)C2)c1 1539042930 LJCYTBKWHHANKU-NRFANRHFSA-N 450.587 2.791 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539205394 HSWIFOQGMRLXSS-FYQPLNBISA-N 490.601 2.857 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1539230717 PLOHFKCDWNTNIM-FQEVSTJZSA-N 469.636 2.827 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(F)cc1)N(C)C 1539290458 IDAOERPZOAOJNL-OAQYLSRUSA-N 459.529 2.830 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1noc2c1CCCC2 1539350622 SCWROFKZTBNSFR-UHFFFAOYSA-N 468.583 2.570 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCC(F)(F)CC2)CC1 1539429933 FHCRAQKRODRGEG-JOCHJYFZSA-N 451.562 2.899 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539430651 KLJAWDDDIOONJX-ZJSXRUAMSA-N 484.620 2.669 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1539467559 VFQYDAPNWNXTHW-HRFSGMKKSA-N 499.704 2.673 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](CCC)OC)CC1 1539480931 GWGOSTMDQWAPNV-SIKLNZKXSA-N 467.570 2.572 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539499311 HZYNWFAOBYDGQO-UHFFFAOYSA-N 479.654 2.564 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539586014 FRWNCXVZRVPSIM-MRXNPFEDSA-N 468.421 2.928 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1539666937 CHEBRXYQTKUIAH-DENIHFKCSA-N 452.603 2.901 30 10 JFEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540034116 WUVQSEKQJWLEQY-SFHVURJKSA-N 457.556 2.816 30 10 JFEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1540858851 KVKPTVDAGRKYBI-RBBKRZOGSA-N 466.630 2.880 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540865764 RJJIJFHYPVGRET-XLIONFOSSA-N 450.587 2.507 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1540872087 CBCXCKLEVHIDNH-SFHVURJKSA-N 456.547 2.653 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1540888904 AQEYLTSXIBQURH-JOCHJYFZSA-N 476.581 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1540901267 YEVMINRRJQSJAA-LJQANCHMSA-N 458.563 2.932 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC2CCCCC2)CC1 1540905115 SPOOSJLKQRZLRM-UHFFFAOYSA-N 492.715 2.937 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1540917076 NATITOPLJIUUIO-MRXNPFEDSA-N 483.610 2.704 30 10 JFEE N#Cc1cccc(COc2cccc(NC(=O)CNc3ccc(S(N)(=O)=O)cc3F)c2)c1 1541101579 FOOSJCQLLCEQJE-UHFFFAOYSA-N 454.483 2.974 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C(N)=O)c3cccc(Br)c3)n[nH]2)c1C 1542493568 NTNMQYCYQAUWQX-GOSISDBHSA-N 457.332 2.795 30 10 JFEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1OC 1547952678 HVVVVGABBVYJJT-DNQXCXABSA-N 454.575 2.549 30 10 JFEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O 1548009211 HPDIGTWYZWLIFF-UHFFFAOYSA-N 454.556 2.530 30 10 JFEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(SC)CCOCC1 1548299880 IFQPXKMPMIFNKA-KRWDZBQOSA-N 477.656 2.988 30 10 JFEE Cc1nn(C)cc1C(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548379720 HAJUCNRLIOAXCB-IBGZPJMESA-N 474.487 2.606 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)c2cncnc2)CC1 1548397246 AKIRSSWZFUELBU-VQTJNVASSA-N 486.498 2.718 30 10 JFEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)c4ccsc4C#N)CC[C@H]32)CC1 1557020020 HKSFOPXJXHVXSQ-IAGOWNOFSA-N 459.572 2.628 30 10 JFEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 1559538814 GMTFPAQAUHOEFS-PXNSSMCTSA-N 452.580 2.899 30 10 JFEE N#Cc1nc(NC(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)ccc1Br 1563137551 ANLKQGGNXVHKPW-UHFFFAOYSA-N 458.316 2.737 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1F 1570386826 KOLZZBCLLHZZMY-GOEBONIOSA-N 455.552 2.713 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OCC(F)(F)F)nc1 1587549925 FNZYJFJQQKWFRT-OAHLLOKOSA-N 450.465 2.551 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1csc(COC)n1 1587638007 AFRCLTNFRATCLU-RDJZCZTQSA-N 476.603 2.696 30 10 JFEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1587758624 DWVXEGVFGJMDFW-PMACEKPBSA-N 485.633 2.752 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588029654 KBIQIEHJTWDUPA-IRLDBZIGSA-N 497.665 2.943 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1588059877 WVKJEDGAWWGHHD-QGZVFWFLSA-N 467.364 2.543 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCn1cc(CO)nn1 1588090359 WCGNEBRATREDSM-UHFFFAOYSA-N 472.578 2.624 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCC[C@@H]1CC 1588138720 HPRSQVJKJFOGKL-QHCPKHFHSA-N 460.630 2.789 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588451618 BQZPCRHFUCXHSV-UGKGYDQZSA-N 487.626 2.529 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1588914180 ZHKQKLYXIKFDLT-NRFANRHFSA-N 473.625 2.770 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589027802 URFSRYNOXMQYOG-SFHVURJKSA-N 490.992 2.871 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1589036422 HANHCTBBAIGVAB-UHFFFAOYSA-N 459.579 2.913 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc(C)s1 1589171669 NUWVHODZLWQXCP-JOCHJYFZSA-N 485.639 2.590 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCNS(C)(=O)=O 1589496329 XWNIYHOIYJWYJU-WMZOPIPTSA-N 453.996 2.565 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1589590597 XFVOUHOCVSHUPF-GBESFXJTSA-N 476.622 2.843 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1589701139 QJTMUDJUEINPKA-UHFFFAOYSA-N 473.021 2.986 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1593799731 CKDURBIUFQXUPC-UHFFFAOYSA-N 458.994 2.840 30 10 JFEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1594083716 UJFBSNGBDVIHEQ-UHFFFAOYSA-N 469.615 2.959 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccsc1 1594895151 FTQPEIJVVUTTKB-OAQYLSRUSA-N 461.613 2.787 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1)C1CC1 1595058586 PYFOROUCJPXCJD-LJQANCHMSA-N 481.569 2.926 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1595398360 ARCTVPXOVRWSMT-IBGZPJMESA-N 497.662 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccs2)CC1 1595776784 FLWCBKAVDRKXTE-UHFFFAOYSA-N 468.608 2.806 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595799328 YVWVVJMQCRLABF-VQIMIIECSA-N 480.553 2.650 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1F 1596286021 ILLCGLYIPUSESG-KRWDZBQOSA-N 453.289 2.946 30 10 JFEE CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1603222974 CCXAUKFIQKYSLZ-FGZHOGPDSA-N 451.619 2.957 30 10 JFEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)n1 1612183686 BDJZXCVKRXAWHJ-NEWSRXKRSA-N 451.554 2.591 30 10 JFEE CC1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 1612825781 HCEFIAPHJDGJJO-UXHICEINSA-N 465.602 2.516 30 10 JFEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1615741451 CRXXGUWXGOOWOM-UHFFFAOYSA-N 477.573 2.781 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c1 1621094279 VRWJRQUTSMPBJT-APWZRJJASA-N 451.589 2.916 30 10 JFEE CCOC(=O)c1cc(COC)cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1625104358 FXJDXWDIIMPFGK-NRFANRHFSA-N 450.495 2.804 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)cc1 1630891992 ZTUUOEGTAZDOKW-UHFFFAOYSA-N 452.454 2.811 30 10 JFEE CC#CC[C@H](CO)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1640795076 WMZSXEKEHQOPOY-HSZRJFAPSA-N 456.608 2.736 30 10 JFEE Cc1cc(Br)sc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1662010549 FZRALIBGIXTIKF-NSHDSACASA-N 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488.592 2.706 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1722518119 UUTYEUNRSOFFCM-IEBWSBKVSA-N 477.656 2.903 30 10 JFEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722524720 NEFJACLWQULJNO-UHFFFAOYSA-N 453.996 2.947 30 10 JFEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722599981 ILWUVPHRXLXOEV-NRFANRHFSA-N 459.616 2.932 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722688672 IOVZXSMAWSKKAL-WCJKSRRJSA-N 490.402 2.783 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1722701323 MVFWAAATUUJWPW-NRFANRHFSA-N 494.640 2.677 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)C1 1722831492 AMIAXAUFCNITDY-HSZRJFAPSA-N 490.612 2.985 30 10 JFEE CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1723475239 HTLJGDYJYVMVAW-UHFFFAOYSA-N 481.601 2.990 30 10 JFEE CCOc1ccc(Cn2c(CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 1728866708 HFRWZVAQDOEQEV-UHFFFAOYSA-N 464.574 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453.312 2.783 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740794063 OKEJGNXQNRYVSF-UHFFFAOYSA-N 467.662 2.851 30 10 JFEE C=C(C)COCCn1c(N2CCC(c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740799102 GHZOJCRNNOEIHG-QHCPKHFHSA-N 460.579 2.987 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc([C@H](C)OC)n2)CC1 1740833109 KZZWRXDNYRLYAX-KBPBESRZSA-N 454.622 2.503 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1740875761 JNQUAIHJSPVHQE-QFBILLFUSA-N 451.568 2.914 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740956551 MORALZPDWHNPJF-HNNXBMFYSA-N 465.385 2.907 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)c2cc[nH]n2)C1 1740976368 WFSNMMNPDKEGJH-INIZCTEOSA-N 471.949 2.542 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740986742 GHPRINVUMNXTFZ-NRFANRHFSA-N 497.621 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1740990970 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C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588069189 JHPPUVLWDIDUDK-QPPBQGQZSA-N 456.612 2.505 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588074753 QVPYPTPXSCZKLT-ZCNNSNEGSA-N 464.632 2.599 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)Nc1c(C)cccc1C 1588173751 JFCMSSKDEVKXQY-UHFFFAOYSA-N 455.522 2.644 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1588228834 MOPULLZLRDUXHS-LOSJGSFVSA-N 493.677 2.945 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1cccs1)N1CCOCC1 1588434325 XSPCWMMCVFIRIX-HXUWFJFHSA-N 453.616 2.734 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1589568545 KQDHGAGTMLJJRR-GBXCKJPGSA-N 464.570 2.815 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589722078 PONWMRNKLNBFQB-INIZCTEOSA-N 450.561 2.560 30 10 JFEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1594802618 DQSNODQENMLAHV-UHFFFAOYSA-N 450.543 2.544 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1594807075 CVGUNSKWEDWTII-KRWDZBQOSA-N 486.598 2.590 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1594962194 JIKIIMMVXQWSOX-QUCCMNQESA-N 486.621 2.611 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(I)cc1 1595291569 PDNFQZNUNTVUQX-UHFFFAOYSA-N 478.338 2.970 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)C1 1595723595 YPVMBPVMROWGGQ-JKSUJKDBSA-N 469.658 2.600 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1595871095 FVTOITAGASDBLW-UHFFFAOYSA-N 451.604 2.894 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1615325295 HBCPAPVTYYEFII-JOCHJYFZSA-N 479.629 2.624 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2)CC1 1615413684 IBWJUQOKWVRVCE-UHFFFAOYSA-N 492.672 2.683 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCOc2ncc(Cl)cc2Cl)s1 1622608284 ZVVYQNVTUSJNBQ-UHFFFAOYSA-N 450.369 2.652 30 10 JFEE 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SQHPTILDNZYDKU-UHFFFAOYSA-N 466.542 2.795 30 10 JFEE COc1ccc(NC(=O)[C@H](C)[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 586341121 AQVRPEAXUWMYIC-ZDUYTPDQSA-N 461.565 2.840 30 10 JFEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC=C2C3=CC(=NO)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 607737152 NISNRXHXSLWTHW-WZDBYBNLSA-N 477.642 2.920 30 10 JFEE biogenic C#CCN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)[C@@H]1CCS(=O)(=O)C1 729332492 OXLIFOQFNABCRE-GOSISDBHSA-N 494.573 2.713 30 10 JFEE COc1ccc(Cn2c(=C(C#N)C(=O)CC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729672150 ZHKMSUSOVSATQX-UHFFFAOYSA-N 472.570 2.733 30 10 JFEE O=C(O)C#CCNC(=O)C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 757472701 ZSZFRYJCQHGAJM-UHFFFAOYSA-N 462.502 2.526 30 10 JFEE C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1128717099 YGQXLZMEZDPCJF-VQIMIIECSA-N 459.406 2.947 30 10 JFEE C#CC[C@]1(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)CCCN1C(=O)OC(C)(C)C 1147764317 MTBRTHHWNXXFPP-XMMPIXPASA-N 459.591 2.804 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@H]1OC 1286304547 WWRUTKAOWQYQBH-WMTXJRDZSA-N 450.631 2.916 30 10 JFEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286349536 ZOEOPTVQGWLRMG-UHFFFAOYSA-N 490.612 2.672 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)(F)C(F)F 1286377153 TULLWOXKWDFQLZ-AWEZNQCLSA-N 479.475 2.573 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H]1CCO[C@H](C)C1 1286379328 NTMOQRSJUIBILL-PKTZIBPZSA-N 450.631 2.917 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286380296 GQCNLCMJHGHYIO-HXUWFJFHSA-N 469.611 2.964 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286383986 ONTRUYMTGYABHT-WIYYLYMNSA-N 456.612 2.906 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1286405049 ZWIDTHBHTWAZAH-UHFFFAOYSA-N 489.584 2.641 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC2CC2)CC1 1286481380 UWZACQLIADRCAL-JOCHJYFZSA-N 486.661 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)CN2CCCCC2)CC1 1286490862 VHHPRQLOXZFICT-FQEVSTJZSA-N 463.630 2.736 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)CC1 1286552389 MBOBGNHXKLZDJD-XJKSGUPXSA-N 454.394 2.586 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1286562283 JUTDRJFGFLKDRN-HKBOAZHASA-N 458.651 2.690 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1286592762 UPLUNXLDVJJWTP-NRFANRHFSA-N 490.649 2.711 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@H]2C1 1286612903 MBSBEHWUVLASCQ-INIZCTEOSA-N 481.384 2.970 30 10 JFEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1286624913 DLQHSVWSHOVABZ-XLIONFOSSA-N 458.010 2.910 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1286627262 BSCSAIOZXSWLLP-QGZVFWFLSA-N 465.385 2.836 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286701397 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C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1507733597 FJGPYEQMSVMXDD-UHFFFAOYSA-N 460.586 2.683 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1507739327 PEMZJVIHGWRWLL-UHFFFAOYSA-N 481.588 2.663 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2cncn2)C1 1507745251 VJBHUKHSYANWBZ-SFHVURJKSA-N 453.572 2.762 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507787266 GYTLPCKRUZKZPI-ZDUSSCGKSA-N 467.318 2.612 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507792827 BAAXKMKPUODEKQ-UWVAXJGDSA-N 463.579 2.583 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507800893 ZDKUTSQBSLBOAY-AZUAARDMSA-N 451.637 2.777 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507810057 VXNRUCMHTILKTR-HMFYCAOWSA-N 486.642 2.746 30 10 JFEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1508102969 AIWRSAFQPLFKJC-GOSISDBHSA-N 494.621 2.940 30 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DKEYKTQQMVOZTJ-WOJBJXKFSA-N 476.585 2.886 30 10 JFEE COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)N2CCCC2)c1 1619333676 FOQKUGQKFRHILJ-QMMLZNLJSA-N 451.575 2.671 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 1623819889 SSSJVJOLDSLSNW-GMKZXUHWSA-N 451.592 2.629 30 10 JFEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C(=O)OCC 1625184247 NNVVKNQWRGYOOW-HXUWFJFHSA-N 452.573 2.500 30 10 JFEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)CC1 1633140563 DTZULOTXUAPUKM-KRWDZBQOSA-N 456.539 2.956 30 10 JFEE C=CC1(CC(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1635666238 ORAFRKZZUGTQRL-UHFFFAOYSA-N 455.621 2.606 30 10 JFEE C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)[C@H](C)N1Cc1ccccc1 1639708781 HEXWCRRVLFMZEA-GBESFXJTSA-N 454.596 2.625 30 10 JFEE CCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(NC(C)C)c1 1645353357 HACXEAQDJORYIF-HNNXBMFYSA-N 458.540 2.861 30 10 JFEE CCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(NC(C)C)c1 1645353358 HACXEAQDJORYIF-OAHLLOKOSA-N 458.540 2.861 30 10 JFEE Cc1nc(C#N)cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1 1654870018 HKTPYNZHJTXCGS-UHFFFAOYSA-N 456.753 2.584 30 10 JFEE CCCN(CCC)S(=O)(=O)N1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 1655452178 FURWGXKFSHVLHT-UHFFFAOYSA-N 458.632 2.973 30 10 JFEE N#Cc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4Cl)CC3)n[nH]2)cc1 1670211024 DWVWBIYWGLBLCN-UHFFFAOYSA-N 452.927 2.984 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 1672545688 DYXVVLBCTFCQFQ-AWEZNQCLSA-N 459.913 2.720 30 10 JFEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1677170548 WGDJTMLFMVNEEI-FCHUYYIVSA-N 450.587 2.769 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nc(C)c(C)s2)c1 1689873477 KJZFRHOWSDIZQZ-UHFFFAOYSA-N 477.594 2.578 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1689893139 VIFILBAIZUDLDT-IBGZPJMESA-N 481.688 2.671 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689979906 IZEXSXBUNHTONJ-PKTZIBPZSA-N 497.665 2.924 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CC=C)[C@H]1CCS(=O)(=O)C1 1689981919 DOHWPCWQGSLQRL-AWEZNQCLSA-N 465.373 2.529 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690072637 ONEFNBBEWRHWOS-KDURUIRLSA-N 477.613 2.539 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1690088794 XAIKEWWMLFNZPJ-QFQXNSOFSA-N 485.604 2.818 30 10 JFEE C#CCSCCn1c(N2CCCN(C(=O)OCC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690186431 QBENPSUGPAQTHO-QHCPKHFHSA-N 479.647 2.601 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690218445 GWVDNYRYYCMWCS-IYBDPMFKSA-N 495.422 2.726 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690247864 HIAKDELEVNKPON-ISKFKSNPSA-N 487.670 2.924 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1 1690288052 FPXOIUIMCQNDCB-LJQANCHMSA-N 472.594 2.671 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690288090 HOLGUVFIHRMKFB-SFHVURJKSA-N 478.018 2.762 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1690308777 ZNHWCFUBNGDPKH-UHFFFAOYSA-N 453.591 2.993 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOCC)C1 1690345969 IDNVHLPUNJCPJC-ZWKOTPCHSA-N 486.013 2.971 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690464480 CCNOHCWFVDXRJW-NRFANRHFSA-N 478.707 2.531 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690671318 TYSTYWUICXRLSA-PXNSSMCTSA-N 488.633 2.699 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)CC[C@@H]2C)cc1 1690680202 LWSBBHOCENMNAS-DXIQSLLYSA-N 489.642 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1690722377 HFWBVDMTMBSGQL-WOJBJXKFSA-N 460.648 2.965 30 10 JFEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 1697190880 DECLUADTKRNRBC-LEWJYISDSA-N 473.599 2.557 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@H]2C(=C)C)c1 1705504788 DUBABJGQBMWZDU-XXBNENTESA-N 457.538 2.773 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1705561683 SFZQQFZJCFGJPS-IBGZPJMESA-N 458.584 2.945 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1705564003 JFURKCHMNCEXOG-INIZCTEOSA-N 489.960 2.838 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705565220 UFCICZFAWNRIAY-NBGIEHNGSA-N 486.638 2.912 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1705628107 XTAPKYNTTXWANE-RPWUZVMVSA-N 467.614 2.640 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705643226 XLYCGZUVXNNNDM-DHIUTWEWSA-N 480.657 2.989 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(SC)CCN(C)CC2)CC1 1705648557 UKVQVCLTFXSUJT-UHFFFAOYSA-N 460.692 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCC(C)CC2)CC1 1705649773 GNZFOAFHHVNEMU-UHFFFAOYSA-N 484.595 2.845 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nccs2)CC1 1705651090 JAKQPIIAAXBXID-UHFFFAOYSA-N 464.595 2.831 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705657840 SOTBSINQRASGEB-HNNXBMFYSA-N 467.517 2.825 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705683426 HQAJXYBLDQUTMT-GOSISDBHSA-N 454.332 2.827 30 10 JFEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705734633 WDFDNPWSKKBRAU-UHFFFAOYSA-N 474.562 2.516 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1705753521 BYLINAUAHGCTTF-INIZCTEOSA-N 454.980 2.843 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705805373 FWGKHCJKGKKFBG-QZTJIDSGSA-N 467.636 2.982 30 10 JFEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CCC1 1705870893 ZZKJVVQJJHXTKT-UHFFFAOYSA-N 492.671 2.692 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)Cc2ccccc2)C1 1705929838 YUMJGTNCBQYFHH-QFIPXVFZSA-N 463.586 2.580 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705933145 VZTQTASGUCZWAV-UHFFFAOYSA-N 456.572 2.795 30 10 JFEE CS[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)(C)C 1712743125 HVYBAWHYIZSBEU-GOSISDBHSA-N 462.645 2.676 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1722366127 PWTNEQCKSPYAQS-OAQYLSRUSA-N 499.637 2.963 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1722417650 OKFROTXGZHVBJA-VXNXHJTFSA-N 467.614 2.844 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nc2cccc(Cl)c2n1C 1722422839 UNDHPTBAUIIZEO-DEOSSOPVSA-N 487.004 2.993 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(C)=O)cc2)CC1 1722448529 DLFQUTVLKLJELN-UHFFFAOYSA-N 476.606 2.903 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722454149 IZOYWNRZXUSDKO-UHFFFAOYSA-N 482.610 2.947 30 10 JFEE C=C(C)COCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722538705 SZPZVGUFVGGEOR-HDICACEKSA-N 478.594 2.530 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722551928 IHXAVPFGXKNPGW-ZACQAIPSSA-N 471.986 2.579 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722557131 UJPQLVMRXZZADN-APWZRJJASA-N 482.990 2.573 30 10 JFEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1722624595 FRXZLIXIQUQRIQ-GOSISDBHSA-N 480.569 2.828 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1722659675 ZFZVPDVNSLNGFA-SFHVURJKSA-N 460.991 2.923 30 10 JFEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1722685319 DRAIUXLVNPXMAE-CVEARBPZSA-N 489.589 2.837 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1722693769 ZQNBFWXZENUSOR-SFHVURJKSA-N 498.538 2.744 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1722697486 LZPWFNAXQIGQDH-UHFFFAOYSA-N 461.526 2.515 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(COC)CC1 1722736934 NIIJNZLPLZKZPK-RTBURBONSA-N 454.637 2.660 30 10 JFEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCNS(=O)(=O)c2ccc(C)s2)n1 1724471341 ATCGUEOXXGVBFP-CQSZACIVSA-N 459.601 2.593 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H](OC)C(F)(F)F 1740540139 XXWRRKLDZMIZNL-UKRRQHHQSA-N 472.537 2.972 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CC2)c1 1740564091 ANPBNJQJNOUAQX-UHFFFAOYSA-N 469.611 2.644 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740567078 NSZNPRKKVAZLRS-UHFFFAOYSA-N 470.599 2.667 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1740616010 PPPANDSCONSBPF-ZWKOTPCHSA-N 460.600 2.678 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740623162 PHCWJQCMISFHQB-NJYVYQBISA-N 477.675 2.657 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740627656 RSFQTPCUMUEDDJ-NHCUHLMSSA-N 461.607 2.545 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628992 YACYGCXVMQYXPC-UNMCSNQZSA-N 487.695 2.846 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cc(Br)cn1 1740645200 IQRQTQLZBACUBA-QZTJIDSGSA-N 459.392 2.929 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2csc(C)c2)CC1 1740700528 CBZIJXCPZQXZGM-UHFFFAOYSA-N 456.616 2.581 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2csc(C)c2)CC1 1740703333 OLINKPJUINAGBQ-UHFFFAOYSA-N 497.646 2.733 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1740709997 UCQQAMHMBFUKAQ-APWZRJJASA-N 459.641 2.695 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)CC1 1740750239 OEXQPRWNFGCYLK-UNMCSNQZSA-N 470.593 2.859 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740761349 WFKLGRCJPMDUOM-XXBNENTESA-N 491.633 2.849 30 10 JFEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(N)=O)C1 1740882611 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JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CSCCS1 1286426195 NKCDCJJWHSIYIN-QGZVFWFLSA-N 464.620 2.504 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1286445957 QWZITMSKZDSDSQ-BVZFJXPGSA-N 470.618 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(N(C)C)CCC2)CC1 1286493894 IYYKDEZYBDLWHL-UHFFFAOYSA-N 478.641 2.522 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1286509584 UFBWONXJZOFJPN-RTBURBONSA-N 460.625 2.549 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1286545690 AKBOPLINVYUTEZ-AZUAARDMSA-N 456.547 2.985 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1286561931 DENOVJIBNAIGQC-GMAHTHKFSA-N 463.586 2.856 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286611125 FETGQVZPUILZAT-XLIONFOSSA-N 463.604 2.957 30 10 JFEE C=CCCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286689091 JEWQDVWQLORGMI-NFBKMPQASA-N 451.619 2.609 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1286766102 NQSGCBZWUFSDQZ-FQEVSTJZSA-N 463.604 2.629 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(CC)CC 1300308365 BPZMIUOLTUIOPF-RBUKOAKNSA-N 476.622 2.693 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300311876 WINBDCMNDZUUBJ-SQNIBIBYSA-N 492.621 2.958 30 10 JFEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300371322 CAGSMWCXTYGARO-UHFFFAOYSA-N 461.570 2.864 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300481467 ANERZZMQUSFNHR-HKUYNNGSSA-N 475.684 2.852 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300490030 XQQFJLJESPNLCJ-FQEVSTJZSA-N 487.626 2.877 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1300505135 XZGABISLLNDENI-VAMGGRTRSA-N 466.648 2.640 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCc2ccccn2)cc1 1300553799 SVXKCGNUVGCICP-UHFFFAOYSA-N 468.561 2.999 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(CC)C1 1300665524 KPLAJDHGUYHSIY-SFTDATJTSA-N 474.650 2.820 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 1300731485 GHPWCOHXINVVDS-IBGZPJMESA-N 490.029 2.605 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1300760612 FYKATHOSXMVNKF-JOCHJYFZSA-N 450.612 2.732 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1300912499 DBZYBAOSUYNQTJ-VXKWHMMOSA-N 452.603 2.923 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1300914584 DYCCQDNOFPUHAR-CQSZACIVSA-N 454.394 2.788 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1300918331 YMVMSPJFPUESQX-WOJBJXKFSA-N 478.638 2.710 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1301017190 HEQCUBJODWMWPN-LSDHHAIUSA-N 491.058 2.770 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301155313 LULYVACXPQKACG-UHFFFAOYSA-N 471.631 2.637 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301159868 IEOXXMOKQVJEIV-XMMPIXPASA-N 468.606 2.557 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1)C1CC1 1301313752 GRWJSIQISKGHMO-MRXNPFEDSA-N 462.595 2.831 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1301491181 MLQRVCKRTWQUAH-PKOBYXMFSA-N 469.590 2.772 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1302227827 HIGOWOAATMZEKC-CYFREDJKSA-N 491.612 2.639 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCCC2)c1 1302429120 FPBAYIYRSWVJKJ-QFIPXVFZSA-N 460.579 2.667 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NCc3cn(-c4ccccc4Br)nn3)C2=O)cc1 1308730652 DJOJTVSGVNVZPD-LJQANCHMSA-N 451.328 2.792 30 10 JFEE CN(C)Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1309655970 GPTNKUQLYLAAHP-UHFFFAOYSA-N 450.568 2.521 30 10 JFEE COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1CCC(=O)N1CCOCC1 1315660191 ALMVBGUYAOFPGI-KRWDZBQOSA-N 458.588 2.566 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1cc(Br)cn1 1358890050 KIDMNDBCOVRBGK-KRWDZBQOSA-N 498.433 2.959 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1358949145 UCTFNEOVVJRHNJ-GOSISDBHSA-N 468.606 2.682 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358960183 YWRWDVUQPOZTDC-GGAORHGYSA-N 469.655 2.940 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1358963379 GWYJETUUAQCPDQ-SFHVURJKSA-N 460.600 2.559 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1359036591 APHPEUQMDZBAPP-UHFFFAOYSA-N 469.033 2.926 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1359047212 WJMMWRLDHQDLFN-QFIPXVFZSA-N 478.597 2.756 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1359064122 LPCNAYLRXIBLJE-SCLBCKFNSA-N 486.461 2.947 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1359080784 DKHJELVAGVWUFZ-UHFFFAOYSA-N 473.423 2.990 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2csc(C)n2)CC1 1359089448 JFFMDTFIYGEHHB-WMZOPIPTSA-N 497.463 2.998 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2C)CC1 1359133180 MSKFRYYYVSQVFH-NRFANRHFSA-N 473.643 2.716 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 1359221819 OKEJGOMQBRYAHU-UHFFFAOYSA-N 454.575 2.845 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1359227359 ZGTZFFZVFLPXOR-LJQANCHMSA-N 452.621 2.703 30 10 JFEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1359303692 XUFYVSRXTSNAKR-UHFFFAOYSA-N 456.978 2.539 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359303902 FHVFAIZCFZAIAQ-LJQANCHMSA-N 484.601 2.880 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359344265 QUSGSYVHLSUZJM-UHFFFAOYSA-N 466.615 2.617 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1442290975 JOKAGEIEHFNLJR-LJQANCHMSA-N 452.573 2.624 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)s1 1463849994 MXFJTGZXBZRKKK-UHFFFAOYSA-N 456.973 2.538 30 10 JFEE C#CCN1CCC(NC(=O)NCCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 1468842715 UREYRBHXJPZFHM-UHFFFAOYSA-N 450.539 2.723 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(OC)nc2)c1 1507551842 IDANQMGCXIAWFO-UHFFFAOYSA-N 467.533 2.772 30 10 JFEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507556709 CSBVFACFYDOTBZ-UHFFFAOYSA-N 459.554 2.578 30 10 JFEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1507558392 IIZVUKMJDMGOPT-HXUWFJFHSA-N 456.616 2.974 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628890 YVBJFJDSDVXABP-VQTJNVASSA-N 462.019 2.565 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C(C)C)N1CCOCC1 1507643302 KTGZSEVXCACYLD-DEOSSOPVSA-N 457.582 2.765 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)N1CCOCC1 1507646271 SPIBKRRBSLRTLC-KRWDZBQOSA-N 472.387 2.510 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cn2ccsc2n1 1507708503 KHGWSYZUKMVTKK-UHFFFAOYSA-N 452.540 2.806 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCOCCOC)CC1 1507720278 JDRVLYGDERJMDH-IBGZPJMESA-N 457.644 2.940 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nccn2C(F)F)CC1 1507735031 HVUHBUZKPYZBDD-UHFFFAOYSA-N 474.903 2.599 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)COc2ccccc2OC)CC1 1507737672 BUDVBRBTTHXWET-IRLDBZIGSA-N 495.624 2.862 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507744396 LIZSLOUVOFXYCT-INIZCTEOSA-N 479.448 2.717 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507754499 WKJGYGGVABBVFI-UHFFFAOYSA-N 461.570 2.968 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507828610 JHIHTDLXKANAMN-AWEZNQCLSA-N 484.420 2.762 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507838393 BJICYFASBPQOTN-IBGZPJMESA-N 491.614 2.656 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507910901 FDBDCZKMNNWHTO-HSZRJFAPSA-N 457.600 2.667 30 10 JFEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507941287 FQMVWKIXKPYCCI-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1508162716 RVJYPUQEYOBITO-NHCUHLMSSA-N 475.684 2.810 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)CC1 1517709207 HMQJIMSXSHWFGX-UHFFFAOYSA-N 451.575 2.970 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2OC(F)F)ccc1F 1520881766 IOCUAVIBRCLRRN-UHFFFAOYSA-N 458.414 2.930 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(OCC)CCCC2)c1 1539038209 MMXQJFNHCHHLHK-UHFFFAOYSA-N 478.597 2.920 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1539205334 GREPLKXKBYKHSG-YESZJQIVSA-N 466.604 2.935 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCc1ccco1 1539246129 OUDGCILZTZPDDQ-UHFFFAOYSA-N 482.338 2.698 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](OC)C(F)(F)F 1539333690 KKPSYHZMJLKBQH-MRXNPFEDSA-N 453.490 2.700 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccc(N(C)C)nc2)CC1 1539441516 RPHFHIMYRWHDAD-UHFFFAOYSA-N 475.597 2.617 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(C)(C)O)CC1 1539469411 RTNCTNLGQACGAL-QGZVFWFLSA-N 457.550 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1539470179 LFCQWCVTVGCMOF-UHFFFAOYSA-N 493.564 2.886 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539475584 IDXBRBKKJILCGY-IBGZPJMESA-N 483.016 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1539480925 GQZRYPHGFYQWGP-QNWVGRARSA-N 470.662 2.506 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539507156 RNRHLPTVEZDYJU-UHFFFAOYSA-N 483.573 2.584 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 1539588264 USUUTDAVKZVAEZ-UHFFFAOYSA-N 476.194 2.851 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1539613046 TVVNTLVFEOKOKR-LQWHRVPQSA-N 455.607 2.905 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1539704726 IFTGSNVWTIIXAO-NRFANRHFSA-N 454.623 2.575 30 10 JFEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539894877 YMALZVMEYXBYBN-HXUWFJFHSA-N 459.616 2.726 30 10 JFEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1540019860 DSBWFLZDFYEYSY-ROUUACIJSA-N 499.620 2.848 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1)C1CC1 1540109957 XBVCPIDUNOSPDW-NQIIRXRSSA-N 475.615 2.542 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540859997 CSFZKYBQWVYFIL-HNNXBMFYSA-N 465.341 2.823 30 10 JFEE C=CCNC(=O)Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876205 KMLGSTHMGLDQAN-SLFFLAALSA-N 488.633 2.604 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCNC(C)=O)C1 1540890350 DCUGMRHIPFOVFO-VQTJNVASSA-N 476.622 2.700 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(Cl)c2)C1 1540891869 ARIBLFZCNBXWAT-IAGOWNOFSA-N 466.991 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1540898615 PJIQWCAJXPSUFV-APWZRJJASA-N 466.629 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540901810 PZAAOKALDCAHGG-LPHOPBHVSA-N 490.630 2.599 30 10 JFEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1541402733 BAXMAEDJJROLPQ-RFWXGWTQSA-N 490.605 2.698 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1547741873 GWHMATMDMRYVEK-UHFFFAOYSA-N 493.641 2.856 30 10 JFEE Cc1nn(C)c(C)c1C(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548379915 LEKFDYOQDZXCRY-LJQANCHMSA-N 488.514 2.914 30 10 JFEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)ccn1 1552474670 HRAKAUCLYKIQKO-UHFFFAOYSA-N 477.594 2.667 30 10 JFEE C#CC1(O)CCN(C(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 1557602489 HBGCRPRNLNXWNL-UHFFFAOYSA-N 452.536 2.577 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)Cc1ccc(F)cc1 1587974834 BXGVSEXYBRZFSB-UHFFFAOYSA-N 469.590 2.579 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588069156 IHSOLFKRVSGGHQ-WATLYSKOSA-N 488.654 2.898 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1588070106 WSXRNELOENIONO-OAQYLSRUSA-N 495.605 2.553 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589731211 CUXUAIFKLMENIB-UHFFFAOYSA-N 456.591 2.529 30 10 JFEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1594720403 LEHXCBOKFYPPBJ-NRFANRHFSA-N 454.575 2.535 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1595084177 IEMONJMCBXHMEH-UHFFFAOYSA-N 477.613 2.689 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1595516779 INZFUZDGAXVBDL-UHFFFAOYSA-N 498.628 2.739 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1595776451 AEXAOFMKTLSJOV-UHFFFAOYSA-N 460.535 2.760 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1595798042 LVPFWVTZVQSASW-IBGZPJMESA-N 472.615 2.705 30 10 JFEE CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1602952855 FZLRFEWIPZPQSZ-CTNGQTDRSA-N 456.616 2.971 30 10 JFEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1606826103 DVCKKPSNTTWFDP-HOYKHHGWSA-N 454.575 2.583 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)(F)F 1613331869 ABSTTYBCWSMSTK-MRXNPFEDSA-N 463.508 2.664 30 10 JFEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1616522008 BBDGKHCXMISHED-XLIONFOSSA-N 458.559 2.847 30 10 JFEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(Br)cn1 1618737171 AWLNYIYOVZJMQY-UHFFFAOYSA-N 485.390 2.828 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)Nc3cccc4c3CCN4C(=O)COC)ccc2c1=O 1633672299 BODFCSJELJUWIU-UHFFFAOYSA-N 450.520 2.659 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 1641610236 OLXCOIWVONDWRE-UHFFFAOYSA-N 454.527 2.899 30 10 JFEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)n1 1642949348 RSEVOKIQYNZENW-INIZCTEOSA-N 458.584 2.576 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN(CC(=O)OC)Cc2cccc(Br)c2)c1 1658512706 XLXWAZZTHXUABG-UHFFFAOYSA-N 458.312 2.754 30 10 JFEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 1678484042 FHTQHPZXTRQUBO-UHFFFAOYSA-N 451.961 2.716 30 10 JFEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1689886792 HCDLHMDKSOZNAF-FQEVSTJZSA-N 452.559 2.641 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689986391 OMGGEEDWEAPSHO-XPNTWCBSSA-N 484.670 2.725 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1689992971 RYRTZLIUMQEHBT-PKTZIBPZSA-N 499.681 2.769 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689996911 QYTARPQGXKUKFX-PKTZIBPZSA-N 499.681 2.913 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1690072631 OCOSCZURYUZXHR-UHFFFAOYSA-N 495.385 2.794 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(OC)CCC2)CC1 1690134758 DQQJNYIURQZRLG-BGYRXZFFSA-N 472.634 2.763 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690139538 QSVVWZGLSCHXFX-TZIWHRDSSA-N 471.989 2.616 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2OCCC2(C)C)CC1 1690140180 PKFIANRBLVUVEX-SFHVURJKSA-N 456.978 2.774 30 10 JFEE C#CCSCCn1c(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)nnc1C(C)(C)C 1690185728 FLKYAGHTFIBYRH-OAQYLSRUSA-N 466.655 2.870 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690320236 OGZBDTCRVGFIJP-CEMLEFRQSA-N 488.677 2.579 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690342306 IIZMWRBJEVCXCK-HZPDHXFCSA-N 450.996 2.553 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1690485221 NPPWHMVTLHDEGI-LJQANCHMSA-N 462.595 2.611 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1690511158 RHMIUSKJIABIJN-HXUWFJFHSA-N 461.513 2.849 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690630154 VBUHELKETQCOKV-UHFFFAOYSA-N 454.394 2.802 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690634816 ZQSSSNUJTBEASR-UHFFFAOYSA-N 453.996 2.661 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690692361 WVOXIUBZTXARHI-MSOLQXFVSA-N 496.033 2.812 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1690717973 WYXQYGLHZSCJFI-IYBDPMFKSA-N 496.655 2.902 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCOC1=O 1694133406 AZNJBSRPSVWVAG-IBGZPJMESA-N 451.575 2.828 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1696570173 AOAMNJJLRDATQK-IBGZPJMESA-N 488.614 2.697 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2ccnc(OC3CCOCC3)c2)c1 1705506553 BCGOFMPNQZIGIT-UHFFFAOYSA-N 474.565 2.898 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705531812 XNOLPJFJUWRRPL-MSOLQXFVSA-N 484.626 2.736 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705560938 MAOJELJAYSCZNV-HXUWFJFHSA-N 472.611 2.930 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705571490 ZXMCZFHYEFENGY-NRFANRHFSA-N 469.636 2.812 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)N(C)C 1705603788 VNTDOSXQQCMMBO-QHAWAJNXSA-N 454.619 2.852 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)c1ccccn1 1705629112 XLTRSSIIIBBGEL-UHFFFAOYSA-N 474.613 2.911 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCn2cc(C)cn2)CC1 1705635940 SBIIZLCATPRHFH-UHFFFAOYSA-N 468.403 2.976 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CO)CC1 1705659883 IRWYHWTUEXLGBN-IBGZPJMESA-N 463.648 2.968 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705691563 HROZVWGIDBYEKF-AVYPCKFXSA-N 496.431 2.951 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705708226 ZSIAMMCTZRWWAL-MBDNFAEBSA-N 469.586 2.719 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCOCC1 1705735072 IWSXYSRLDICAMP-UHFFFAOYSA-N 455.607 2.908 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705739273 AJUYEIOCORMYBA-YZZKKUAISA-N 475.615 2.635 30 10 JFEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CCC)C(=O)C1 1705830993 ZPPOUXYQLMADKE-NRFANRHFSA-N 455.559 2.832 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCCCCC2)C1 1705917957 ZUXKLSRKYSXGRT-BWKNWUBXSA-N 475.634 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1705932180 OFGNXOWRKKKJNR-UHFFFAOYSA-N 474.974 2.669 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705939423 XEMHCBYXCYYZDM-IBGZPJMESA-N 487.605 2.973 30 10 JFEE Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 1707432186 HEKCMMHYYSSJPO-UHFFFAOYSA-N 472.597 2.869 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1710010060 CBLHEGSBZJMZTJ-RXVVDRJESA-N 458.632 2.951 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(Br)n1 1722298607 GGMKODWXNGQNJV-ZDUSSCGKSA-N 459.373 2.933 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1cccnc1 1722380702 VNYCLBQHWBDZGX-UHFFFAOYSA-N 451.534 2.946 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722392051 DZQCGUWAENUDBM-OAQYLSRUSA-N 470.581 2.917 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)COCC2 1722421351 KYOSPEFRFHQFRA-VWLOTQADSA-N 454.571 2.526 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCC(C)(C)C2)CC1 1722443368 HUGNEJHPAIWLOW-UHFFFAOYSA-N 493.612 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1722443838 BXCDLDJCFBGGTC-GKVSMKOHSA-N 499.015 2.516 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(c3cccc(OC)c3)CC2)CC1 1722450359 FSUVBXALILSVJF-UHFFFAOYSA-N 451.571 2.521 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722471338 WTRICILOWWUMHH-ATIYNZHBSA-N 459.598 2.752 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722492986 VNEYSTBVFZCZLK-VYDXJSESSA-N 466.464 2.674 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)N1CCOCC1 1722493339 IYFXHWMRLWWDQY-RXVVDRJESA-N 491.539 2.823 30 10 JFEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722606230 IHRCEYWTPOKKTB-QFIPXVFZSA-N 465.646 2.666 30 10 JFEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)=O)CC1 1722619721 IOXAYJFFNRRVPZ-UHFFFAOYSA-N 465.646 2.668 30 10 JFEE C=CCCCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1722622763 NCCSQMQZGKPNLP-RUZDIDTESA-N 471.577 2.927 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1722694051 KEMIQPJSOLWSHC-RXVVDRJESA-N 463.586 2.640 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722696071 ZUTWLCDIVGJGNB-INIZCTEOSA-N 475.981 2.789 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)[C@H](C)C1=O 1723469139 HIODNCVXNWTHGG-NQIIRXRSSA-N 452.559 2.601 30 10 JFEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1729307526 BEIUHAGYMMVZCP-UHFFFAOYSA-N 453.591 2.518 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740619871 AJXGULYRFLXPLU-QFIPXVFZSA-N 470.643 2.621 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(OC)c1 1740669265 UDPFPERPDUOIPI-UHFFFAOYSA-N 468.583 2.763 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740687357 AOMDDRWRYICWMP-SFTDATJTSA-N 489.617 2.655 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCC(F)F)CC1 1740701560 LRWNZSOZVZGIOB-UHFFFAOYSA-N 469.895 2.985 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)CC1 1740708643 WZWHFEHHBZCTNF-UHFFFAOYSA-N 481.551 2.626 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1740743031 JNLGJBCGRACZEE-INIZCTEOSA-N 476.375 2.760 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740750636 DXLVMDQWTWCBFV-GIVPXCGWSA-N 487.626 2.752 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1740751949 QGOGMSGFVAUFHN-WWGRRREGSA-N 464.419 2.769 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740807579 GKOOWUQRGLIMGB-UHFFFAOYSA-N 464.401 2.881 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1740850290 FMYLEEXGYHFGOS-IAGOWNOFSA-N 464.611 2.889 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740887242 ASIWCQUWRPDMBD-MRXNPFEDSA-N 451.369 2.733 30 10 JFEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1=CCCOC1 1740939534 YDVHFZYLKMBEEV-UHFFFAOYSA-N 460.604 2.532 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1740963134 AIBFXOIYQUOENL-LJQANCHMSA-N 468.631 2.899 30 10 JFEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740971627 QXLNXONRJMSTHA-GOSISDBHSA-N 494.621 2.940 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCC[C@H](O)C2)c1 1748694915 UGWSLVVFCQRSQE-REWPJTCUSA-N 458.566 2.871 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccnc1OCCOC 1748868960 OMPAAOKJBFNEPG-UHFFFAOYSA-N 483.370 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1749001446 RLCINDBYSMVXBP-IRLDBZIGSA-N 492.624 2.786 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1749016052 XWNZGVUXQKUZCW-LJQANCHMSA-N 480.579 2.861 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749103406 VKEYGJMYONGERS-RCCFBDPRSA-N 454.413 2.628 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1 1749114377 ASEWNDFJYFCGTJ-JTHBVZDNSA-N 482.629 2.871 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749136633 PXLQZEWRSVILES-HYVLGVRCSA-N 471.650 2.666 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749199615 VEHKVSGHIYYSEQ-UHFFFAOYSA-N 459.645 2.849 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSc2nccs2)CC1 1749343037 VVVNRCLZZVWPFL-KRWDZBQOSA-N 498.700 2.652 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1749387117 SCMODHYQRBFYSZ-UHFFFAOYSA-N 486.642 2.771 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749467132 HEKSOFHUCCNDQD-WMLDXEAASA-N 483.436 2.862 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1749547599 UUMRZMOMXFOJQJ-HXUWFJFHSA-N 492.617 2.955 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)C1 1749718418 DMFNRCHABUJESB-HXUWFJFHSA-N 464.563 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749736439 IWZDHQMUNCEMIV-FQEVSTJZSA-N 486.642 2.901 30 10 JFEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1749738725 VXIMVKRPHOYOJM-UHFFFAOYSA-N 485.654 2.868 30 10 JFEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1749752727 ZJBJFZCFGVICJU-QGZVFWFLSA-N 481.626 2.822 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H](C)C1 1749805938 CAIHAJXMXBMXAP-VLCRHTCISA-N 487.626 2.520 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)C1 1749826137 DIUNDEGKWVTKIY-GMAHTHKFSA-N 466.586 2.993 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(Br)cn1 1760114443 MUYAWRUSIFVUQD-CYBMUJFWSA-N 467.331 2.711 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760190629 SPGLJTGZRKEQCJ-HXUWFJFHSA-N 471.533 2.683 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nc(C)cs1 1760212179 RGVPMYWDKGWBFU-UHFFFAOYSA-N 467.624 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2c(OC)cc(OC)cc2OC)CC1 1760265385 ZYXDNGDZRSPUOU-UHFFFAOYSA-N 469.586 2.636 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cc(C)no2)CC1 1760265901 LQIDVODPBVYJNI-QGZVFWFLSA-N 466.517 2.868 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)(C)C)CC1 1760274059 HMUCEYORSLBRLM-UHFFFAOYSA-N 489.715 2.834 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCN1CCN(C(C)=O)CC1 1760298154 XQOWSBUHRPXAFG-AREMUKBSSA-N 464.614 2.576 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1760305434 GDGMBMWUUDLBCR-UHFFFAOYSA-N 477.436 2.928 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)NCCOC)CC1 1760319970 VQJGFHWUYNZMMI-IRLDBZIGSA-N 498.584 2.814 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760327209 DMCJEHHHNFUSGP-PTLVVNQVSA-N 496.674 2.703 30 10 JFEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760348335 LGKSMFOEEWZOGC-REWPJTCUSA-N 466.630 2.984 30 10 JFEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760361773 SAWLUDZGRGXYJN-SFHVURJKSA-N 459.547 2.735 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@]2(CCCOC2)C1 1760524032 NPLVZIABYMGJLZ-VWLOTQADSA-N 488.633 2.702 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760526223 IGLUVWJZMYBWQI-FNZWTVRRSA-N 483.613 2.975 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760526349 LQVGYKCKQITCPM-NRFANRHFSA-N 490.612 2.671 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C(=O)NCC)C1 1760538192 RRYSRJYSSKWHBW-MRXNPFEDSA-N 479.423 2.990 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC(=O)NC)C1 1760550319 WHWBXDOOPWFNDD-KRWDZBQOSA-N 464.364 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1760551476 GRWMHXXZXPWSLI-UHFFFAOYSA-N 482.050 2.746 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)CC(C)(C)C1 1760556295 ZBBTUSIYFGCNQI-LJQANCHMSA-N 487.674 2.925 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1760777979 FKOFPAKKVNAFPB-UUOWRZLLSA-N 483.548 2.939 30 10 JFEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)N(C)C(=O)OC(C)(C)C 1761395745 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C#CCN(CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)OC(C)(C)C 1135504622 FQVXEYBTECIISN-QGZVFWFLSA-N 451.589 2.765 30 10 JFEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 1270493605 LFAZCAYXAYZNKU-QAPCUYQASA-N 453.992 2.620 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1286297716 XXRNOFQLSQGAJY-PXNSSMCTSA-N 492.584 2.878 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC[C@@H]2CCCCO2)c1 1286310547 ZRQSQZZVHMMGDU-NRFANRHFSA-N 466.586 2.822 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCC(C)CC2)c1 1286310685 FZZKDHQLNKWAJV-OAQYLSRUSA-N 450.587 2.570 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1286324278 ODEWTQSVOAIPPN-NNWRFLSQSA-N 471.627 2.797 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286382422 ASPJXEQQRUKMGZ-MRXNPFEDSA-N 468.526 2.687 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383256 LXQMEEJZOFOGEL-IFMALSPDSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286385818 ZQXBHIFWRZCYRS-YQVWRLOYSA-N 475.684 2.708 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286388445 PDSJJJJMPGLIPF-QGZVFWFLSA-N 489.960 2.816 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286391834 JHJONNXUZUWUEJ-JOCHJYFZSA-N 479.606 2.668 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ccc(OC)cc1 1286448591 YSHIFACAGVVDOU-UHFFFAOYSA-N 461.570 2.999 30 10 JFEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286450782 YELDNWLLQRATTC-RBBKRZOGSA-N 471.627 2.563 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCN1CCCS1(=O)=O 1286461285 QILYPQXVPVGJHI-UHFFFAOYSA-N 459.591 2.825 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286480504 YHANBPFBXAECQK-LJQANCHMSA-N 453.591 2.659 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1286592698 RAAQJHNTUHXBLO-AEFFLSMTSA-N 480.660 2.590 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1286606216 JPDQSECBTUYUBD-IBGZPJMESA-N 487.674 2.898 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286649388 NJDXJNGDSBHNMQ-HXUWFJFHSA-N 487.409 2.870 30 10 JFEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)CC1 1286667829 NCTQRXRMKFVPFD-UHFFFAOYSA-N 473.647 2.817 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccccc1 1286677892 LXOVVWCRJZLIPB-CPJSRVTESA-N 450.587 2.836 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286679765 CBUZAJSANYUXSN-UHFFFAOYSA-N 468.606 2.776 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1286752025 VYQHRDCVPIYXEG-FQEVSTJZSA-N 469.634 2.765 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286764548 SINMVTKSJCWVCK-LJQANCHMSA-N 456.572 2.592 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 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VSTDQVHQPDTURG-FQEVSTJZSA-N 453.591 2.585 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1301593637 RRJQMGIOOUGCRM-HOTGVXAUSA-N 454.980 2.725 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301615011 DMMBJMHAWHMMEE-UHFFFAOYSA-N 466.659 2.856 30 10 JFEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C 1303292489 GUQYWMUDDDARRL-UHFFFAOYSA-N 475.601 2.522 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(=O)OC(C)(C)C 1303635490 GZAGDRILASDVFB-INIZCTEOSA-N 480.573 2.797 30 10 JFEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)c(C)o1 1304148803 AODCVSOVUKGNMJ-PKTZIBPZSA-N 487.557 2.908 30 10 JFEE C#CCN(C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1311646793 NYRXJPISSHGQRK-NRFANRHFSA-N 454.571 2.788 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCC(C)C)C1 1314005605 CBZRUFRZAAETGS-OFNKIYASSA-N 474.631 2.522 30 10 JFEE 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467.639 2.789 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccccc1)N1CCOCC1 1359024704 SYDYYOUKRDZCLO-XZOQPEGZSA-N 453.587 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2ccccn2)CC1 1359046453 RZWLKEGKUUEFLV-UHFFFAOYSA-N 477.638 2.972 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359118420 ISDHEXQLFVBEDU-GOSISDBHSA-N 491.614 2.655 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CCOC)[C@H](C)C1 1359293854 BRHGDJXATYSZFP-QZTJIDSGSA-N 472.659 2.591 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(C(C)(C)C)CC1 1359298123 OCHZJZLPZFRRLG-UHFFFAOYSA-N 462.602 2.744 30 10 JFEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1360112316 CMAMPGOHNZRZIA-UHFFFAOYSA-N 478.576 2.930 30 10 JFEE C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1446244410 FQQVQKYKUFQXJK-YDIMBITNSA-N 451.608 2.970 30 10 JFEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 1459483409 DMIBHGFLZYQHEB-REWPJTCUSA-N 451.567 2.666 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 1464712581 QZOWEGLUSGQQKW-AAEUAGOBSA-N 450.590 2.899 30 10 JFEE C=CCN1CCC(NC(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)CC1 1464919403 PJJCLMJZQZSVQO-UHFFFAOYSA-N 458.422 2.906 30 10 JFEE COc1ccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1S(N)(=O)=O 1477971503 FNBSDUQBHDPMAI-UHFFFAOYSA-N 456.549 2.942 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1497085400 DQBHPSWNGHZRRF-OAQYLSRUSA-N 480.617 2.605 30 10 JFEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)CC2)c(C)n1 1500518156 BEFZZGRJUGYPIS-UHFFFAOYSA-N 462.602 2.939 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCSCC(F)(F)F)c1 1507548269 QPWKRAQXLBZYFH-UHFFFAOYSA-N 494.543 2.866 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507636201 ZYNTYJKMBAIFQQ-GCJKJVERSA-N 467.570 2.833 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507638797 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498.075 2.737 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1588762587 LXRPRMGUHOFOLI-CVDCTZTESA-N 451.571 2.699 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCSCC(C)C)CC1 1588768765 KTAUPEVUJMHNPB-UHFFFAOYSA-N 475.684 2.883 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1588871647 LGSMDDVCSXPMQA-RUZDIDTESA-N 468.671 2.666 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 1588976026 PQVSHCTUQPDPPM-UHFFFAOYSA-N 455.632 2.850 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1589150181 CMDADKFNKDUUPK-JLTOFOAXSA-N 496.431 2.700 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1589485118 XARGGXHGSPFXLS-YPLULLRNSA-N 471.396 2.683 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 1589578101 GCOUEWMIXHWCQJ-OWSLCNJRSA-N 474.524 2.877 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1589664344 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C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1689878555 MZEVRALVPGBUGG-HXUWFJFHSA-N 457.600 2.762 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1689984915 YBIRCBZKJXDBNM-LJQANCHMSA-N 491.061 2.742 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)OC(C)(C)C 1689998058 AOMUYYFVFIWMQY-UHFFFAOYSA-N 450.543 2.745 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1Cc1cc(Cl)c2c(c1)OCCO2 1690032873 LEKYYXKUURTRFC-KRWDZBQOSA-N 458.946 2.938 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCc1nnc2n1CCCCC2 1690039498 ICGAYWHMIHFPCP-UHFFFAOYSA-N 473.581 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1Cc1cccnc1N1CCOCC1 1690050083 RNCYXHQWXWSMPO-UHFFFAOYSA-N 458.541 2.751 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1690102728 TXPJWGLPKJVPGR-FCHUYYIVSA-N 454.571 2.783 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1CCC(OC)CC1 1690103306 BWWNJRUYBVFWIU-QHCPKHFHSA-N 483.613 2.766 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCOC)CC1 1690135168 PYNLVBVZAPAFHZ-FQEVSTJZSA-N 460.623 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccc3[nH]ccc23)CC1 1690137214 QLNNLYHFLHHVDC-UHFFFAOYSA-N 489.624 2.886 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690183091 LZOPDPXIVPEVPO-UHFFFAOYSA-N 485.639 2.886 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690250321 FVUBYMFAJJDBAZ-SIKLNZKXSA-N 459.616 2.649 30 10 JFEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690465918 RDRDPBDYCMCHLY-IBGZPJMESA-N 464.661 2.994 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690503355 YZRAGCNAIRQAPG-UHFFFAOYSA-N 473.940 2.917 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCOCC1 1690558042 CEYKQWHRHUSUOH-DEOSSOPVSA-N 491.640 2.935 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(N2CCNC2=O)CC1 1690632541 BNNNQKCHYPMBCL-UHFFFAOYSA-N 461.364 2.896 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690685018 UIZQLGZVPPYLFX-SANMLTNESA-N 483.613 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1690724926 ZBCLRNSQUAJVSR-WMZHIEFXSA-N 495.045 2.610 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1690745188 ZSWJVJUDVHEYFO-IBGZPJMESA-N 495.715 2.765 30 10 JFEE C=CCSCCn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1690752412 HMQLWYZODWQDJB-HSZRJFAPSA-N 463.648 2.831 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1692430410 CAPQMKRIVOFWKG-RUZDIDTESA-N 495.672 2.864 30 10 JFEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1697698058 HJAOYRLFPJIQIA-PMACEKPBSA-N 478.519 2.943 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(C(C)=O)CC1 1705506128 RMNVKIOSRAXBAW-FFZOFVMBSA-N 458.607 2.765 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705560653 JCHMZIDLPWFFSG-HXUWFJFHSA-N 492.045 2.874 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705560675 JFMJCZBDBNMEGE-MRXNPFEDSA-N 494.440 2.967 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705569348 CISXCILBRILOAT-LJQANCHMSA-N 473.599 2.756 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1705580551 MJSIULWROVDKPG-AFMDSPMNSA-N 458.566 2.689 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1705602171 KPHDXQYJZRTUPV-SFHVURJKSA-N 456.591 2.585 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2Cc2ncnn2C(C)(C)C)n1 1705631486 HDOSWVVEOOYSMB-UHFFFAOYSA-N 465.606 2.813 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2csc(CC)n2)CC1 1705634039 HIFBROUULPMTKJ-UHFFFAOYSA-N 460.405 2.858 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705635745 JLOBYFXRRJTAJQ-FQEVSTJZSA-N 495.516 2.962 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705642450 UZCQUHXVCWICSO-UHFFFAOYSA-N 496.497 2.535 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCCN2CC)CC1 1705642673 DLTVGLGJFBDDKA-JOCHJYFZSA-N 466.630 2.885 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3ncccc3c2)CC1 1705645105 LDBWSTBCMIYRKR-IBGZPJMESA-N 476.581 2.564 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)O)CC1 1705646921 TXVDCJAIUCOPCX-UHFFFAOYSA-N 478.366 2.583 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705748955 GKPYMNBBKDSGCO-INMHGKMJSA-N 498.005 2.726 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1705880207 YKAQIBZMIWULAE-IBGZPJMESA-N 476.622 2.800 30 10 JFEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705888586 HJYIBKNVGJIYKE-UHFFFAOYSA-N 477.569 2.749 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](c2ccco2)C1 1705907965 DDOTVFNWHLQMDU-NRFANRHFSA-N 451.527 2.893 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1705921560 UXGLXENDNSMNKG-XZOQPEGZSA-N 450.587 2.955 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1705944175 XAMHTQCQDDYCCA-UHFFFAOYSA-N 464.599 2.790 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(Cc2ccco2)C(C)C)CC1 1706002359 AMZXEBLZFNZVEI-UHFFFAOYSA-N 461.570 2.989 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722277231 KUIDKJPNJAJCMD-SYVJQLTCSA-N 467.614 2.678 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1722369189 VUVWQEZPPFDAQJ-PZJWPPBQSA-N 488.610 2.602 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722417894 XRJMWROQMYSTJH-OYRHEFFESA-N 482.604 2.792 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1722440019 AORKEDYJVUBYTG-UXHICEINSA-N 470.643 2.620 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)CC1 1722442591 VWTHOVGMTHZETJ-UHFFFAOYSA-N 468.499 2.636 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722449284 PDBWHLFCCCDSQF-SIKLNZKXSA-N 468.627 2.581 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ncccc2N(C)C)CC1 1722450302 CLZBNKAAOFYJFK-UHFFFAOYSA-N 487.608 2.641 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722458272 YMCRWVFKFPZLHA-UHFFFAOYSA-N 468.612 2.722 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@]1(C)C#C 1722461495 OSXLHKVFZIGDLX-WZONZLPQSA-N 459.616 2.945 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(O)c2)CC1 1722535598 LHFGOGGKKYINJH-UHFFFAOYSA-N 482.610 2.895 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1722536451 DTLWHOAZIYNSHQ-HXUWFJFHSA-N 487.626 2.628 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1)C1CC1 1722651710 YOFLYJUOWXWFLO-XLIONFOSSA-N 477.656 2.947 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1722660501 XCCOHUKDSZAOFL-DENIHFKCSA-N 469.609 2.587 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1722676814 LTKRCWUGRLLCKB-CYBMUJFWSA-N 479.347 2.996 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722694740 GHXJEYYRRGKJPF-UHFFFAOYSA-N 475.597 2.879 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)(C)C)C1 1722714582 LBWWNIUZFYDDJB-OAHLLOKOSA-N 465.396 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1722737100 SRWHACFYVXGHOL-NXHRZFHOSA-N 452.602 2.758 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1726841592 CJUABBVVTGPBGV-OPQSODGTSA-N 469.586 2.910 30 10 JFEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1727175108 BHHFRWHSOIUERW-UHFFFAOYSA-N 465.602 2.963 30 10 JFEE COC1CCN(C(C)(C)Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1730374612 BAVPSSNKCSFHKO-QFIPXVFZSA-N 468.602 2.784 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1[C@H]1C[C@H](c2cccc(F)c2)C1)[C@H]1CCS(=O)(=O)C1 1740617137 MIXHCOSTGSAKJH-UDDWMFPDSA-N 490.601 2.887 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N2CCSCC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740617616 ULLLMKQFEUQQGO-VQTJNVASSA-N 479.716 2.780 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740618149 CWQBYNXBHKRWHW-LJQANCHMSA-N 484.578 2.929 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1740626221 VVLMEKVVBBYCKQ-FQEVSTJZSA-N 485.635 2.789 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1740626809 YYMSQISDHMGWQH-NRFANRHFSA-N 499.662 2.902 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740627525 IDSMTRWMBGKLJS-LEWJYISDSA-N 472.611 2.527 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740634227 AYEBJSDQBJOKDD-FQEVSTJZSA-N 486.576 2.704 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1ccnc1C 1740637454 BTZHHMHHTLGRIK-FQEVSTJZSA-N 451.575 2.671 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1740677062 DKFYLNYHUNWBBP-GOSISDBHSA-N 496.612 2.989 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1740695172 HMVPKEOSKPCHBB-OAQYLSRUSA-N 451.525 2.676 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2sc(C)nc2C)CC1 1740706986 KSQCZMROWBVTLY-UHFFFAOYSA-N 469.640 2.721 30 10 JFEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1740742084 BSELDFGODSEFSS-KRWDZBQOSA-N 468.356 2.589 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740763328 JWJBIZWTIUPHNO-DXIQSLLYSA-N 486.642 2.603 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1740770051 DUCZTHNMPUGTFT-FQEVSTJZSA-N 454.980 2.559 30 10 JFEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](OCCOC)C1 1740810893 INOBGRNWHJMZDM-IBGZPJMESA-N 461.998 2.836 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740836165 QOHNOICKHUFYIE-XMMPIXPASA-N 455.559 2.852 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1740915071 TWCMSQFIQKRGFH-UHFFFAOYSA-N 493.373 2.682 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740946954 MDHBMTQCMQFKJA-VGSWGCGISA-N 465.620 2.594 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740951634 JZMVCDCAUCMZKP-MRXNPFEDSA-N 480.598 2.631 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1csc(CC)n1 1740953704 OQYQLKYKVZDRTN-UHFFFAOYSA-N 464.393 2.993 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1740989713 VURIHCWQKGUTFV-UHFFFAOYSA-N 461.632 2.865 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCC[C@H]1C 1741134621 FFMXAMFZEXXLBP-XLGIIRLISA-N 465.646 2.790 30 10 JFEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)N(C)C1CC1 1741861933 BQJWAJKFLQQPNN-DNVCBOLYSA-N 464.492 2.979 30 10 JFEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 1748050725 HSLKWVPOAGBNTF-FQEVSTJZSA-N 477.516 2.995 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1748685267 XCAAQJOTLJCXMZ-VQTJNVASSA-N 492.649 2.997 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1748790832 NJFRQOLACDOQQH-NTKDMRAZSA-N 459.591 2.800 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748810257 VBIUXYJKLMCSGS-VQTJNVASSA-N 469.636 2.936 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1748814872 KIVGRILIHDMAFB-IEBWSBKVSA-N 458.584 2.648 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1748816469 ZXNQPMHJJRSAFK-OAQYLSRUSA-N 470.643 2.852 30 10 JFEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1748819701 RROYTIRYHYSGKW-LJQANCHMSA-N 454.600 2.580 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc([C@H]2CCOC2)cn1 1748868638 CEQJDUJVLTWHKI-KRWDZBQOSA-N 482.386 2.899 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nc(C)cs1 1748887012 PVFCXKMGWGFTRH-UHFFFAOYSA-N 457.563 2.951 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(SCC)c2)CC1 1748973000 URHZMXLDALRWHE-UHFFFAOYSA-N 461.595 2.841 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1749195355 MVDRXHJZCIBODZ-UXHICEINSA-N 478.638 2.710 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1749428056 XWLISWKUOKWKCC-LEWJYISDSA-N 474.631 2.658 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)N2CCN(CC)CC2)C1 1749714774 MJNVQKHOYSOMIT-UPVQGACJSA-N 452.647 2.985 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)C1 1749715407 SOHIHOGEJPLBBY-FQEVSTJZSA-N 459.978 2.553 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(CC)C[C@H]1CCCO1 1749725033 NCFYIDJFRHHWSR-MRXNPFEDSA-N 486.436 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)S[C@H](C)C1 1749727488 VSYCZWJCGCOMTP-IYBDPMFKSA-N 464.613 2.647 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749729747 QNFPAQZNGIXURF-UHFFFAOYSA-N 487.601 2.598 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1749741096 PBQIOWYULPBNBQ-NHCUHLMSSA-N 465.664 2.679 30 10 JFEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1 1749772470 HOUSCLDMFNAKLD-UHFFFAOYSA-N 466.615 2.568 30 10 JFEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1750776719 HAJZWFWLZMINBI-XMMPIXPASA-N 489.642 2.929 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1=O 1750836423 BLKASEMOXMOAEW-UHFFFAOYSA-N 452.950 2.671 30 10 JFEE C[C@@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1752194142 HPFOKULEOJNNLC-LJQANCHMSA-N 464.618 2.931 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760144399 NXMRRLAEKRRICY-OAQYLSRUSA-N 498.031 2.857 30 10 JFEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760151571 GUKBISXAWSNIIP-LEWJYISDSA-N 475.597 2.912 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760190286 OXRITIXEPUVFIU-FQEVSTJZSA-N 485.635 2.512 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760191116 AYPMOCKQOORFPP-BWKNWUBXSA-N 486.638 2.916 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCc1nnc2n1CCCCC2 1760250742 PACABVSPUDSMFK-UHFFFAOYSA-N 451.550 2.655 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760282791 QJOPRLRYYZMGMS-UHFFFAOYSA-N 497.637 2.764 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1760289885 XUZXJTYGRXWSAV-OAQYLSRUSA-N 481.475 2.642 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1760312793 DQDFDOSWJXNKRY-SFTDATJTSA-N 488.633 2.800 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760325826 SWNXAVPWVYGUIR-RCZVLFRGSA-N 472.678 2.982 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1760336146 VLGDXDXFJMYUBB-ZJOUEHCJSA-N 488.633 2.952 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760345180 MDYMERSNARXUSG-KRWDZBQOSA-N 470.599 2.655 30 10 JFEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1)C1CC1 1760473811 GMNQZVKCLAOUDZ-UUOWRZLLSA-N 460.623 2.614 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)OC)C1 1760534064 QYZDOHJGEFDBMM-DYXWJJEUSA-N 456.543 2.615 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](CC)OC)C1 1760536329 GVTIGVJVASAKIA-ROUUACIJSA-N 462.620 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cscn2)CC1 1760551585 LDRKZRURKFEVAI-UHFFFAOYSA-N 493.058 2.978 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760551725 PUGOPNGVSNRAJI-NTKDMRAZSA-N 474.627 2.883 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccccc2F)C1 1760557004 WTIGCUUTSGVURU-NRFANRHFSA-N 471.558 2.582 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760565280 STMSJGYDRCGGTN-NRFANRHFSA-N 476.691 2.616 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760567428 ABMIHODGTCJXHB-IRXDYDNUSA-N 464.636 2.669 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(CCCCC2)O1 1767388984 CGSZPVNBHARRJU-HXUWFJFHSA-N 472.615 2.684 30 10 JFEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CCOC1 1769780404 AAKGRDXTEPLOFX-FPDPHYFHSA-N 481.475 2.690 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772788983 KUYLPMUGGRMAMY-VQTJNVASSA-N 465.506 2.766 30 10 JFEE COc1cc(/C=C/C(=O)C(=O)N2CCN(c3ncccn3)CC2)ccc1OCc1ccccc1 1860637460 XDTFJBSWBYNXCM-CSKARUKUSA-N 458.518 2.995 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2-c1ccccc1 1864316550 LXFVMBGTMVDTIQ-HSZRJFAPSA-N 487.560 2.692 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1864767689 NVAGZGSAYPYBQG-NSHDSACASA-N 458.824 2.803 30 10 JFEE CCCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(C)CC(=O)OCC 1868796565 VPKWJEYKULSSEM-RTBURBONSA-N 462.616 2.721 30 10 JFEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1870961699 BLGZNQMJQWTUPD-UHFFFAOYSA-N 454.571 2.778 30 10 JFEE CCCCCCCCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616806 WNZIZANRXBPUOL-UHFFFAOYSA-N 468.650 2.999 30 10 JFEE COc1ccc(N2C[C@H](c3nnc(SCCCO)n3/N=C/c3ccc(O)c(OC)c3)CC2=O)cc1 1874200563 DSRRHWZTHPWREU-NFXIUMSZSA-N 497.577 2.878 30 10 JFEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3ccccc3)n2/N=C/c2cccn2C)CC1=O 1874335607 TZFDUNNTQJJNOA-PDERCVKFSA-N 465.583 2.954 30 10 JFEE CCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)cc(Br)c1O 1874524882 LHPTVSRDGDNYQH-YAXRCOADSA-N 463.155 2.531 30 10 JFEE COc1cc(Br)cc(/C=N/n2c(S)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 1874564673 OGBOIEVAJCXTIL-FQDFOOGXSA-N 454.350 2.650 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C[C@H](O)C1(C)C 1879110327 XAMIJZNWUWYUMR-HJPURHCSSA-N 450.385 2.831 30 10 JFEE CN(C)CC#CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1891006450 LNWBCUCFQGZRIE-FQEVSTJZSA-N 471.545 2.662 30 10 JFEE CN(C(=O)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180992221 XNHFFIDNODWBEP-VQIMIIECSA-N 460.380 2.878 30 10 JFEE Cc1ncnc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2185514001 ZKLUDKRCPYSRPP-LEWJYISDSA-N 450.392 2.564 30 10 JFEE CC(C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247902759 BQHTZUISRFDNOF-UHFFFAOYSA-N 460.427 2.629 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2255837374 OJZIRVGYRNNYCJ-CQSZACIVSA-N 451.760 2.773 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255941347 HSYDUFZQYURKIE-CQSZACIVSA-N 474.454 2.971 30 10 JFEE C=C(CS(=O)(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255952969 BBASBDFTEPGQJK-GVDBMIGSSA-N 456.414 2.739 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256615399 UIFCWKGXAJSJFG-NRFANRHFSA-N 451.398 2.706 30 10 JFEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)N1CC(NC(=O)OC(C)(C)C)C1 2256625711 AQGFBXNQSVYGDJ-UHFFFAOYSA-N 451.398 2.808 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2267006821 RAGAIFFKUOEIJL-IRXDYDNUSA-N 466.771 2.661 30 10 JFEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267135421 CISBWLYGGSXAFH-JOCHJYFZSA-N 450.389 2.768 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267155207 QKLQBKRJLDEDQS-CQSZACIVSA-N 463.409 2.962 30 10 JFEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2267169095 HYQCQHVVIDLJNB-ZIAGYGMSSA-N 483.465 2.831 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267455794 CTGZEQUWFMTDRC-DFFLPILJSA-N 464.393 2.602 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267468529 KTZMUOJYECKAPF-AWEZNQCLSA-N 486.827 2.927 30 10 JFEE Cc1nc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267480132 VIAOYFKQZBCMEH-KDURUIRLSA-N 453.417 2.955 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)C[C@H]2[C@H]1CO 2267499874 ZZXSNOGMUZKFBJ-GVDBMIGSSA-N 450.385 2.689 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C2)C1 2267536366 BUXXFKUZTXGFNO-CQSZACIVSA-N 463.409 2.771 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C 2267596582 KNWROGFOHKNLME-YTTGMZPUSA-N 469.413 2.570 30 10 JFEE C[C@H](C[S@@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2267614569 PVHRYQZPGCLRJL-ORCIVFGKSA-N 467.397 2.532 30 10 JFEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@]3(C)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2267713236 MUBCLZMOAWDACD-DEOSSOPVSA-N 456.417 2.929 30 10 JFEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2267931703 VOBJCQQJIRSNQD-AWEZNQCLSA-N 468.787 2.597 30 10 JFEE CC[C@@](COC)(NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268646863 VWABHFGIUXSIJU-QFIPXVFZSA-N 468.425 2.983 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268651887 QYKKGPHAXXSJSL-HOTGVXAUSA-N 466.409 2.545 30 10 JFEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)O1 2268800591 TZKLHTHMPNKGPP-UKRRQHHQSA-N 467.397 2.903 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)n1 2278567617 WPTGRGAGSSWENH-LJQANCHMSA-N 482.390 2.733 30 10 JFEE CC(C)[C@@H]1[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2279429264 CTDYJBAHDGPOLJ-IAGOWNOFSA-N 460.384 2.996 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2281790173 ILGAEMWYUVVRMN-QZTJIDSGSA-N 464.343 2.537 30 10 JFEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2281801047 PNTZBXPSBGUOTL-UHFFFAOYSA-N 480.436 2.881 30 10 JFEE Cn1cc(C(=O)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281964747 BTSNINHZXUJRBA-MRXNPFEDSA-N 462.400 2.629 30 10 JFEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)[nH]n2)OC1(C)C 2281983618 WUODPXDAEOVABV-VQTJNVASSA-N 450.392 2.693 30 10 JFEE Cc1cc(C(=O)N(C2COC2)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282003707 DUTGTNFXHOAQLZ-UHFFFAOYSA-N 478.420 2.816 30 10 JFEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2282113946 ALODPOSWGZTWIF-HNNXBMFYSA-N 454.298 2.967 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(S(=O)(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282348873 QKEZVPGDODKECV-WMZOPIPTSA-N 478.420 2.616 30 10 JFEE C=C(CS(=O)(=O)N1CCOCC12CCN(Cc1ccccc1)CC2)B1OC(C)(C)C(C)(C)O1 2282500712 MOVVFIBLEPSUOL-UHFFFAOYSA-N 476.448 2.871 30 10 JFEE CCn1cc(C(=O)N[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282533552 MRZIVZHVVQMLBI-UYAOXDASSA-N 452.408 2.843 30 10 JFEE CCn1cc(C(=O)N(C)[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282533989 CEXJVWAMOOTJOG-AZUAARDMSA-N 452.408 2.937 30 10 JFEE Cc1nn(C)c(C(=O)N2C[C@H](C)N(C(=O)OCc3ccccc3)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282557934 BZFDXUOWGCEWIV-HDICACEKSA-N 496.417 2.899 30 10 JFEE Cc1nn(C)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282574617 QYDMBMGKSGCYCH-FXAWDEMLSA-N 452.408 2.526 30 10 JFEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282579771 JLYDGVFIUWNIJZ-UHFFFAOYSA-N 462.400 2.581 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282610648 ZRHZMZLLBZFWMU-LQZABQIISA-N 475.420 2.816 30 10 JFEE CC1(C)OB(c2nscc2C(=O)N2CC[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282620430 FJNKWHSQKFEUEM-UXHICEINSA-N 469.416 2.558 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CCC[C@@]2(F)C1 2282627513 IQNVCKRMADMNOV-PKTZIBPZSA-N 463.359 2.925 30 10 JFEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2282698964 GGNXPHXLFSCPQL-KRWDZBQOSA-N 455.364 2.879 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C(C)(C)CC1 2282708523 NSYSIZXYEZOCFW-UHFFFAOYSA-N 460.384 2.637 30 10 JFEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)ccc1O)C2 2282975477 NNVZHSHCJVRZKA-MYYSRTQBSA-N 458.364 2.821 30 10 JFEE C[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283948027 IBIGWABELKUNGL-ATZDWAIDSA-N 460.380 2.533 30 10 JFEE Cc1nc(NC(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)ncc1B1OC(C)(C)C(C)(C)O1 2283957334 OZYUAXLJKPFQTG-ANQUJSFKSA-N 458.368 2.572 30 10 JFEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283981012 HNRSSHQXOPKAPJ-IBGZPJMESA-N 462.396 2.874 30 10 JFEE COC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283985917 NPMFGQVLKRTFIH-CJNGLKHVSA-N 483.440 2.938 30 10 JFEE C[C@@H](NC(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283991581 SPPAHNNODZPEHI-JLCFBVMHSA-N 481.424 2.693 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284019945 GBYSRFCGDPUZNF-QHCPKHFHSA-N 480.436 2.816 30 10 JFEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2284030085 GOXFJOXEAAJMHX-IRXDYDNUSA-N 480.436 2.936 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)CCOC1 2284032710 SPYHLGIDZVLBTL-XMMPIXPASA-N 458.364 2.559 30 10 JFEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284058890 CKWQRLFXSIPRLT-IIAWOOMASA-N 481.424 2.501 30 10 JFEE C=CCOc1c(I)cc(C=C2SC(NC(C)=O)=NC2=O)cc1OC 2293328962 PQJHDMLDARXVJI-UHFFFAOYSA-N 458.277 2.971 30 10 JFEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2cc3ccccc3o2)[C@]12C(=O)N(C)c1ccccc12 2296323541 XWFDRARAFGFLML-AREMUKBSSA-N 459.502 2.937 30 10 JFEE C=CCN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2297322340 ITKZBSRUJFWEBR-UHFFFAOYSA-N 470.488 2.764 30 10 JFEE C[C@@H](C#CC(=O)O)NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2318609062 CENFUWYMOBXBHM-JTQLQIEISA-N 458.252 2.845 30 10 JFEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(=O)O)cc1 2327829867 PUKKSFOQIPPTKL-KRWDZBQOSA-N 486.598 2.591 30 10 JFEE CCN[C@](C#N)(Cn1cnc(I)c1I)[C@@H]1C[C@H]1C 2327966448 YASKIRXBYCCAJX-KBVBSXBZSA-N 470.096 2.620 30 10 JFEE O=[N+]([O-])c1cc2c(cc1C=Nn1c(CCOc3ccccc3)nnc1SCCO)OCCO2 2329232714 HLCZGXDAXVLCLY-UHFFFAOYSA-N 471.495 2.546 30 10 JFEE COc1cc(C=Nn2c(SCC(=O)Nc3nccs3)nnc2[C@@H]2CCCO2)cc(OC)c1O 2330949167 ZYEOXXIDGVJMCY-ZDUSSCGKSA-N 490.567 2.922 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2336779517 ZFBACZCKZFHWSQ-LJQANCHMSA-N 473.351 2.817 30 10 JFEE CC(C)(C)OC(=O)N1CCC(N2CCC(C(=O)NCB3OC(C)(C)C(C)(C)O3)CC2)CC1 2339562679 LVPKZRHHSHUCMX-UHFFFAOYSA-N 451.417 2.846 30 10 JFEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2343086284 PLOIIIJOSCPAAL-MRXNPFEDSA-N 452.376 2.832 30 10 JFEE COC[C@H](CC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1)NC(=O)OC(C)(C)C 2361642483 YENAZHAKVNNINB-HNNXBMFYSA-N 480.436 2.862 30 10 JFEE Cc1nc(NC(=O)[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2365108885 WWCYGAZITRLECG-WNSKOXEYSA-N 458.368 2.812 30 10 JFEE N#CCSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N12 2967153 CPYYWJKKCADFKE-QGZVFWFLSA-N 461.503 2.727 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2C1=O 17825913 REFJDAQOJFBWOC-MRXNPFEDSA-N 469.563 2.990 30 10 JFEE CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/C(=O)c2ccc(OC)cc2)N3)CC1 20156550 IPHOCNIZZVFBNF-MOHJPFBDSA-N 491.592 2.583 30 10 JFEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)c1 20293138 YFMIBHWFBINAAK-LSHDLFTRSA-N 461.935 2.839 30 10 JFEE Cc1cccc(Cl)c1OCc1ccc(/C=N/Nc2nc(SCC(=O)NCCO)n[nH]2)o1 59818195 YBJQRNZTDVMBSE-LSFURLLWSA-N 464.935 2.585 30 10 JFEE CO/N=C(\C(=O)O)c1csc(NC2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c1 98065161 KUOZJDPPPAWUML-WUXPNXBRSA-N 476.511 2.928 30 10 JFEE CCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C=C1C(=O)OC(C)(C)OC1=O 100247503 QCXLXYHGCQLJIJ-GOSISDBHSA-N 452.548 2.581 30 10 JFEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccco2)[C@H]1c1ccc(I)cc1 102523393 UZRPXFAGHVQERQ-VZHUHSAUSA-N 453.232 2.952 30 10 JFEE C#CCOC[C@H](O)CN(CC=C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC 169680319 HMLDRIBCMHGHNZ-IRLDBZIGSA-N 484.618 2.760 30 10 JFEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(OC(C)=O)c1 170109535 YCGDSSBQKQMGRD-QFIPXVFZSA-N 468.506 2.769 30 10 JFEE C=CCN(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1nc(C(=O)OCC)cs1 501953079 RVYXBVIVYUZIKO-HSZRJFAPSA-N 468.535 2.838 30 10 JFEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 586673221 MIPIPBWUYLPOSI-UHFFFAOYSA-N 456.524 2.970 30 10 JFEE CSc1nc(O)c(C(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1C#N 608988993 RWKFGNGWQGAGNL-UHFFFAOYSA-N 467.580 2.807 30 10 JFEE N#Cc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)c(F)c1 729818350 PUHKSKKJIMEGNK-LGADCTONSA-N 451.527 2.804 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)CC1 758661973 JAEXTVFVICFJAE-SQJMNOBHSA-N 480.634 2.987 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1F 856659288 NIBOUDPVAWPCGQ-OAQYLSRUSA-N 490.601 2.819 30 10 JFEE C#CCN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)[C@H]1CCS(=O)(=O)C1 918755170 VNNUIBDGPHWRFR-INIZCTEOSA-N 484.958 2.542 30 10 JFEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)NCc3ccc(OC)cc3)n[nH]2)c1C 1083995895 XBOGZQUVHCCOHO-UHFFFAOYSA-N 454.560 2.667 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)cc1OC 1084041437 OQDPXYASURIXMY-UHFFFAOYSA-N 458.519 2.858 30 10 JFEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1cccc(Br)c1 1084288792 ZFQPNESVYLUXEP-UHFFFAOYSA-N 462.333 2.637 30 10 JFEE COC(=O)C[C@H]1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CCO1 1137056711 DLJODNDJLAQROP-SFHVURJKSA-N 453.520 2.693 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1286432288 DLFDRSDGMKTUEU-XMMPIXPASA-N 485.636 2.872 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[S@](=O)C(C)(C)C 1286459199 LTYYRPBHJSBRHH-YTTGMZPUSA-N 454.600 2.764 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCS(C)(=O)=O)CC1 1286473764 WRJQABRJQUWEKS-UHFFFAOYSA-N 484.651 2.567 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286496316 PXWAIEMLOQUKSD-QGZVFWFLSA-N 485.614 2.737 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286511384 KISHNNSOTJVDPL-NRFANRHFSA-N 493.637 2.677 30 10 JFEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286631182 BRELQFNYRBSWIQ-UHFFFAOYSA-N 468.023 2.685 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1286660876 SSYHPDVSCIBQGJ-AWEZNQCLSA-N 450.469 2.553 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286672307 LJDBZUDUQGDHOF-FHWLQOOXSA-N 483.679 2.853 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286707745 ILNBDDKFUWKIBC-IBGZPJMESA-N 470.599 2.669 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)Cc2ccccc2C1 1286729682 XLYCCTXSHYOMFY-UHFFFAOYSA-N 450.612 2.991 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1286749841 ZWNQRRYAPDWWSB-QZTJIDSGSA-N 483.685 2.761 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1286790180 ONOUWJIRCVONON-UHFFFAOYSA-N 463.567 2.908 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)C1 1286807769 GROSYVWLZBSHAA-JKSUJKDBSA-N 451.449 2.957 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1287084105 GDZMHINXKJYVEP-XIFFEERXSA-N 466.615 2.872 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2Cl)C1=O 1287686767 FYPUSBMPMFTHQR-AWEZNQCLSA-N 454.708 2.743 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)c(Br)c(OC)c2)c1 1295584124 ZHRPGUPXVBTSAV-UHFFFAOYSA-N 453.314 2.630 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCOCC2)C1 1299402040 GRNWNPJLYZHHBA-SFHVURJKSA-N 471.583 2.640 30 10 JFEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300353256 SDOUTRHNVJTHPI-LJQANCHMSA-N 480.569 2.629 30 10 JFEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1300358292 POTYNYYQYHAHOY-LJQANCHMSA-N 485.658 2.784 30 10 JFEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300361065 AMEYFGLVSKZIQZ-JOCHJYFZSA-N 471.627 2.628 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1300365345 UUFNDSFEIUVWHD-REWPJTCUSA-N 461.632 2.741 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300495293 GDDXGRYCFJEQJJ-OAQYLSRUSA-N 457.644 2.802 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1300519826 BXEMDUWMTQLJLK-CPJSRVTESA-N 457.586 2.504 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2c(F)cccc2OC(F)F)CC1 1300703593 LYACYNSXTKLOPO-UHFFFAOYSA-N 456.472 2.808 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2cnn(C)c2)CC1 1300716883 UJCFJEYNFSUAQC-UHFFFAOYSA-N 465.989 2.931 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1300727136 UJTLHTXCKGPGEM-IFMALSPDSA-N 465.598 2.914 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1300756123 GBFBVYFAQFQJSW-HOTGVXAUSA-N 474.656 2.928 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1300763528 QOWKSMVZBOHGHS-SFHVURJKSA-N 477.612 2.870 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC2CCOCC2)CC1 1300974713 MFRARVRUWHGPBB-UHFFFAOYSA-N 470.574 2.995 30 10 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C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCSCC(F)(F)F 1507680777 MVMSBUMOALIURA-UHFFFAOYSA-N 475.562 2.950 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCc2c[nH]nc2C)CC1 1507735270 QEPZYURKOWJUBU-UHFFFAOYSA-N 461.570 2.584 30 10 JFEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507747484 HLOFUCICRGRXFG-UHFFFAOYSA-N 457.585 2.920 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1507750734 CZDVAZADHHCPRM-MISYRCLQSA-N 460.625 2.513 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1507810005 VSBMEKDQXKKXKN-XXBNENTESA-N 485.610 2.723 30 10 JFEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1507833472 VRKKDLHWEQOEHC-UHFFFAOYSA-N 465.602 2.925 30 10 JFEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507844289 HFNBWAOKFQSTST-JOCHJYFZSA-N 452.603 2.877 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1508002669 KZHMTEJXHUUUAW-JOCHJYFZSA-N 466.611 2.881 30 10 JFEE 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C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539204761 DBHIFWDDMWORCF-UWWQBHOKSA-N 463.401 2.990 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1539211921 QBFVUFYZILCIDK-MRXNPFEDSA-N 461.950 2.751 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1539212171 SUPKLFXEXBYDOC-GOSISDBHSA-N 468.608 2.522 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539213454 ZOEOQMWKUVOAHJ-HXUWFJFHSA-N 464.035 2.957 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCS(=O)(=O)C1 1539338070 URYJIARHKIRFHG-HXUWFJFHSA-N 470.595 2.544 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2conc2COC)CC1 1539436146 KYCTVPMALODEJL-UHFFFAOYSA-N 489.349 2.785 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2OC(C)C)CC1 1539468304 CVAPMVQUTWMOQJ-HHHXNRCGSA-N 495.624 2.732 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539483047 RKPUTIIOYUGKMT-GOSISDBHSA-N 460.623 2.698 30 10 JFEE 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JFEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1541902894 HGTMENSPWFPYPG-VQIMIIECSA-N 477.573 2.733 30 10 JFEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccs1 1541990264 CSDCTHDFSOKUHS-JTSKRJEESA-N 492.671 2.780 30 10 JFEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1)OC 1545962615 GPYUCNKZZDKEQN-OXQOHEQNSA-N 450.547 2.816 30 10 JFEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 1560004434 GVAPEDXWTCOFEM-PXNSSMCTSA-N 458.559 2.847 30 10 JFEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1584356044 AZJDIHLHCXKOMA-HXUWFJFHSA-N 457.575 2.580 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1587677959 NMSKRXGISSYOCQ-UXHICEINSA-N 473.666 2.834 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587738542 GDHUVVWNGYRTQZ-RDPSFJRHSA-N 464.614 2.746 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1588040758 QDFYKCDBLDAWRX-QRQLOZEOSA-N 476.574 2.727 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1588083648 HVMHDUFXDNEJOQ-HSALFYBXSA-N 459.591 2.720 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H]1C(C)C 1588128068 BMHJWERZJJWPFP-WMZHIEFXSA-N 458.566 2.809 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2OCC(C)C)CC1 1588752382 RGDARHJKMANCEO-AREMUKBSSA-N 467.614 2.769 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2OCCC2(C)C)CC1 1588898885 GVLBFWPBVDGCNP-NRFANRHFSA-N 451.571 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1588923490 BCZSALQQYLSCCR-GOSISDBHSA-N 451.571 2.988 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1589069636 MUEMFIJYNVMFTA-SFHVURJKSA-N 457.575 2.640 30 10 JFEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1589295548 IHWIBGGOYOYXQC-HXUWFJFHSA-N 493.793 2.629 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1589427638 TUXFYZGYFWAJAI-HNNXBMFYSA-N 453.410 2.847 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](C(N)=O)C1 1589567881 GOHSWVINBNOQGZ-SVMVAKDDSA-N 455.559 2.549 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCN(C(C)C)CC1 1595205462 VTLYYSPJDOUROR-UHFFFAOYSA-N 487.674 2.652 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)C1 1595729557 NJDMJYBYGLSUKA-QZTJIDSGSA-N 465.595 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1595805293 MXBLAXKEWSZPHH-UHFFFAOYSA-N 499.597 2.724 30 10 JFEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1595845203 OURRCYRASHAXMB-KRWDZBQOSA-N 487.655 2.725 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CCOC1 1616260033 AIDIVFPAQZSMFR-DMJCMNNJSA-N 485.585 2.555 30 10 JFEE C#C[C@H](NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Br)C1CCOCC1 1629889025 IYNMZTLNKFPLBI-ROUUACIJSA-N 453.402 2.845 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 1656935281 DOSBCYXLWBJXFF-UHFFFAOYSA-N 453.517 2.627 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CSCc3ccccc3)c2)CC1 1659279511 HALGLNLLZXGJMP-UHFFFAOYSA-N 458.609 2.737 30 10 JFEE Cc1cc(C#N)ccc1S(=O)(=O)NCCC(=O)N(C)Cc1ccccc1Br 1662110711 FBMRKYFBZIKDGP-UHFFFAOYSA-N 450.358 2.956 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN(C)C2CCCCC2)c1 1689870214 GDDZISPYFFWPJK-UHFFFAOYSA-N 474.613 2.999 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689881586 VYZIFJWSJCKKEK-UHFFFAOYSA-N 456.978 2.976 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690051183 PDFXVIFORGWTSG-NHCUHLMSSA-N 471.652 2.598 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1690133452 HJSZHLMVIIIOME-UHFFFAOYSA-N 462.019 2.521 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1690143995 IRSKIECGPZBXRO-QGZVFWFLSA-N 466.552 2.786 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN2CCOC[C@H]2C1 1690165989 PUTGTNVWFBBNHX-MRXNPFEDSA-N 462.417 2.595 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690179046 KPEMBJYVKVOJPD-IBGZPJMESA-N 457.629 2.795 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1Cc1ccc(C(N)=O)nc1 1690214358 HBHGICRSZRVWPE-RUZDIDTESA-N 460.538 2.790 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1690251144 PPDCLPMLGBUEAQ-UZLBHIALSA-N 465.645 2.628 30 10 JFEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690287531 GNIGRQVQXUZQEX-UHFFFAOYSA-N 469.590 2.625 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690311927 XLPROYCARCLYRW-IBGZPJMESA-N 457.579 2.628 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690316290 CMLPMDMOTUOGDE-JOCHJYFZSA-N 457.604 2.712 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1690410379 JKKFHSXJHZOMGI-GOSISDBHSA-N 455.559 2.900 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690667208 VEIJTDQQSCQMSA-UHFFFAOYSA-N 480.594 2.588 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC(C)(C)[C@@H]1C 1690670517 DBWGMNQGQBPXKU-KRWDZBQOSA-N 476.622 2.699 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690673792 DYNAIKJRPKVVAQ-UHFFFAOYSA-N 493.509 2.675 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690683261 GEOVLEJVACDICS-ZWKOTPCHSA-N 479.503 2.900 30 10 JFEE Cc1n[nH]cc1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1692911697 CNTCOJMKMSHLLM-QFIPXVFZSA-N 470.940 2.968 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OCC(F)(F)F 1694778911 FVUQSBWYQVTEMY-GOSISDBHSA-N 485.470 2.916 30 10 JFEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 1696137655 CATYKODZORQIMM-NZQKXSOJSA-N 497.644 2.572 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705564078 KWLHWJXFBKLTKC-SJORKVTESA-N 491.589 2.624 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1705572358 YWERAPYFPJADMT-RBUKOAKNSA-N 460.625 2.835 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCc1ccn(C)n1 1705622823 WBKXHXUFDRZZOC-UHFFFAOYSA-N 461.339 2.909 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)c2nccs2)CC1 1705632239 KDMAUYFNAIHPEV-QGZVFWFLSA-N 484.029 2.877 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705632747 ANTQNGIWEAHAOB-ZJSXRUAMSA-N 484.620 2.669 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1705639782 WGUGGKLZKGGTEN-IBGZPJMESA-N 478.519 2.506 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1705640697 BHZPOTAZZSVDAS-NRFANRHFSA-N 485.608 2.970 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(C)cc2)CC1 1705649708 DGKDIFRVTANSFB-UHFFFAOYSA-N 458.566 2.617 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1 1705708611 FACYMEJCHISBQN-YADARESESA-N 469.586 2.906 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705733698 WXNNZCMUJCXPEI-MRXNPFEDSA-N 453.996 2.709 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CC1 1705761455 NHSDSKUVKSJVLE-UHFFFAOYSA-N 470.883 2.696 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705776369 DZLYOSONPQWYKX-YJBOKZPZSA-N 456.522 2.948 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN(C(C)=O)C1 1705885456 RXQFCYILRVNRAG-UGKGYDQZSA-N 455.559 2.688 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705898249 GQIHTTMHUIGCPR-HXUWFJFHSA-N 494.600 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1705935735 CAQFXHKASTXOKK-LJQANCHMSA-N 453.653 2.679 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705939477 YBNNROFEHZDVQH-QRVBRYPASA-N 479.647 2.886 30 10 JFEE CCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709452294 FMYYZNSKQNSGCO-FNZWTVRRSA-N 474.613 2.991 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722290296 LIOOVQQSEYMWQM-TUFLPTIASA-N 490.649 2.544 30 10 JFEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722330633 VNXDNWWMEVPZBB-LJQANCHMSA-N 452.559 2.712 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722358779 GCRCDJGEWAFDTO-NTKDMRAZSA-N 482.610 2.513 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722364357 GBWNRPRRFDGERD-CABCVRRESA-N 454.568 2.525 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1722367813 XXQSDDHNHSUTBW-SFHVURJKSA-N 492.592 2.981 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1722383436 KHINTSFPAYRVQU-RUZDIDTESA-N 454.578 2.628 30 10 JFEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCO[C@H]1C 1722385940 RDBLBMYRPUJQFX-CYFREDJKSA-N 456.974 2.864 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1cccc(C(F)(F)F)n1 1722402822 FWIBJTVILOPZLU-PXNSSMCTSA-N 477.487 2.958 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nccc(C(F)F)n1 1722417398 GCHHTKADYJRTMG-UHFFFAOYSA-N 457.460 2.971 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722428751 KGPIRJYFKXFQCS-UXHICEINSA-N 461.607 2.905 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCN(CC)C2)CC1 1722436027 ZDDRRVGOMDOSJD-GOSISDBHSA-N 457.420 2.805 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722510601 TVIIICARKIXJRO-FUDKSRODSA-N 452.603 2.988 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OCC)c2ccccc2)CC1 1722582802 PTEIIORZWZWZMB-YADHBBJMSA-N 489.642 2.791 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(CC)ns2)CC1 1722587980 HEPGSOZKWLULOD-MRXNPFEDSA-N 479.676 2.523 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722606889 JUQAMMFIZRGPEJ-UHFFFAOYSA-N 498.609 2.717 30 10 JFEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1722614247 HJLCEAGDMPOAFB-UHFFFAOYSA-N 499.641 2.503 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722616812 CWEMDSYRYRBUHV-SFHVURJKSA-N 475.590 2.638 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722693846 BSWJEOYPGPCLSA-INIZCTEOSA-N 484.402 2.812 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](COC(C)C)C1 1722695841 RJMJNESZYRTZOL-INIZCTEOSA-N 496.381 2.779 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1scnc1C 1722697667 OMPWLQCYPAWZAJ-UHFFFAOYSA-N 492.609 2.769 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722697880 SONRZDCAJCCCHG-GOSISDBHSA-N 477.569 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC=C(c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722731203 GRFRDASBFJJLAL-XMMPIXPASA-N 488.610 2.530 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722736642 DEIXYQXQDLBXBC-IBGZPJMESA-N 483.642 2.992 30 10 JFEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1728606831 HQODQFUOPQPSFI-DBYOASNMSA-N 461.630 2.665 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2oc(CCC)nc2C)c1 1740562859 NJPYGMZIDHHXQZ-LJQANCHMSA-N 475.553 2.583 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1740576832 IUFNHYQUFAGJLJ-UHFFFAOYSA-N 454.619 2.823 30 10 JFEE C#CCCCn1c(N2CCN(c3ccc(C)cc3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740597107 OVPSNIKEHLWVIW-VWLOTQADSA-N 451.571 2.894 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1740617226 OAJGXRIDDSOTSH-KRWDZBQOSA-N 485.532 2.607 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(C)=O)nc1 1740676862 APUBQAHUTUAPOE-UHFFFAOYSA-N 458.501 2.859 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 1740705767 MCNBZPJOIPDBNO-UHFFFAOYSA-N 460.538 2.700 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740714126 RNGUCZAZIGXFSV-HNNXBMFYSA-N 475.416 2.630 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740754966 HQINJVXGBBWIBW-VJBWXMMDSA-N 499.637 2.828 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740779586 ORZQZTNHGVDHTJ-UHFFFAOYSA-N 467.437 2.992 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740793195 PKTMQQRDRGHAFE-MJGOQNOKSA-N 476.622 2.952 30 10 JFEE C=CCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740881281 CKAMTFJXJFETBQ-VWLOTQADSA-N 471.650 2.957 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740966567 ZVTWHBBOGAPGOS-OAQYLSRUSA-N 476.990 2.557 30 10 JFEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1741005992 XHNSXSBWBRWWRJ-NRFANRHFSA-N 468.627 2.749 30 10 JFEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCCC1 1748504845 FHFCGROYQFWPGC-LJQANCHMSA-N 452.559 2.780 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1748666217 ZUWLCAZPNONQJT-QGZVFWFLSA-N 477.569 2.611 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C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1588064210 CXBXAOQNHMTZPS-QFIPXVFZSA-N 484.670 2.927 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1588064362 GXTOAYUYUJZTIE-LJQANCHMSA-N 478.018 2.765 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn(CCCC)nc1C 1588099226 KDQPZLVSQMQUTD-UHFFFAOYSA-N 464.595 2.775 30 10 JFEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588158535 GJSZELYQZSJBSN-UHFFFAOYSA-N 467.621 2.721 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588166431 GRRCEPSUDKSBDW-FQEVSTJZSA-N 479.478 2.722 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](OC)C(F)(F)F 1588219135 MSRXWURSARLUFP-SFHVURJKSA-N 472.471 2.622 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@](C)(O)c1cccs1 1588645741 BXENHGFUJSQHHX-XXBNENTESA-N 454.552 2.846 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C(N)=O)CCCC2)CC1 1588780059 GGGUBAXVOUSTTO-UHFFFAOYSA-N 489.393 2.648 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCNC(=O)C(C)C)CC1 1588891106 LQCSSGPZMVYJBX-UHFFFAOYSA-N 490.652 2.876 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1588968782 QDIDENLCRXVVQO-NMEJYPJZSA-N 459.641 2.815 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1589163922 OGGZQGNRBBVYRX-JWQCQUIFSA-N 451.571 2.525 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1589171327 AYXFCVQEQFIUPH-HXUWFJFHSA-N 493.427 2.639 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1589545113 LKHCMTXDOFTHLH-GMAHTHKFSA-N 458.651 2.640 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1589642214 YXXCKHYTONOPAV-SFHVURJKSA-N 452.559 2.790 30 10 JFEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1593729580 MEEOHLVZVOCGMQ-UHFFFAOYSA-N 470.599 2.518 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1594760719 NTOJIEKXMKATQJ-OYRHEFFESA-N 482.677 2.732 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1594807776 ZCAJBDUOVSYUON-UHFFFAOYSA-N 461.570 2.667 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1C(C)(C)C 1595084616 LLSOMKYUKMGOJK-UHFFFAOYSA-N 473.585 2.973 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccccc2C2(CCC2)C1 1595466239 HCQWNBIHYHZIGF-UHFFFAOYSA-N 450.587 2.941 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cnnn2C)C1 1595700479 OHQUPAUPHYIMPU-MRXNPFEDSA-N 474.363 2.674 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1595804559 CKKQBNPSKOHCDW-QGZVFWFLSA-N 455.625 2.525 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1595838525 VPRLUGRDDNTMEW-SFHVURJKSA-N 467.603 2.894 30 10 JFEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)sc1C 1611841848 CRTSVPAKWOPIJY-UHFFFAOYSA-N 481.626 2.813 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1615334794 BRFSJSPJAAPSDQ-DEOSSOPVSA-N 451.575 2.562 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 1617690079 WEWSWYGRWZGMMO-UHFFFAOYSA-N 453.583 2.943 30 10 JFEE COc1cccc(C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c1 1619332205 GXTYMTBHBGKOKT-IBGZPJMESA-N 480.594 2.985 30 10 JFEE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 1639065048 GDISWCOZZVOWDZ-UHFFFAOYSA-N 456.524 2.773 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3N(C)CCCC3(C)C)nnc12 1648758202 IUMXIEGWIAZQSO-GOSISDBHSA-N 454.600 2.559 30 10 JFEE C#CC[C@H](COC)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 1667549889 JPNMMKFZCYTLIS-QGZVFWFLSA-N 453.495 2.834 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(Br)cs1 1690015589 RNJKZMPRDLUUJG-UHFFFAOYSA-N 458.341 2.951 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1cnn(CCOC)c1 1690090062 UTZVYPBXAHZQOX-OAQYLSRUSA-N 452.534 2.842 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(F)c1 1690104306 SEVCHGUILQXSIN-FQEVSTJZSA-N 473.549 2.860 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)n1 1690109619 YDQIICQZLGFPAF-NRFANRHFSA-N 459.554 2.726 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1690228409 WLWNLBIPVANTMX-GOSISDBHSA-N 484.439 2.840 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690250092 CVLYSSXLGSXDJC-GMAHTHKFSA-N 467.618 2.829 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690346258 OWGOQWPQIBEWJB-MOPGFXCFSA-N 497.040 2.640 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1690592923 NDRAODLTPHVMIC-HXUWFJFHSA-N 477.613 2.727 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1690679443 UZUMXYHECCJWRL-UHFFFAOYSA-N 482.610 2.719 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1690712287 ROJCXUOYXMHAQT-YLJYHZDGSA-N 464.563 2.602 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690719006 FBTXYCOMPSTAOB-KRWDZBQOSA-N 459.616 2.510 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(NC(=O)C2CCC2)c1 1692783036 GTZARLMVHVPPDA-KRWDZBQOSA-N 499.641 2.805 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC[C@@H](OC)C(F)(F)F)c1 1705507391 ZSUYUTUBNDFVNX-SJLPKXTDSA-N 465.476 2.806 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1705562817 KRFXYHLRVFFOMV-HNNXBMFYSA-N 454.021 2.762 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2cnn(C)c2C)CC1 1705633208 LWJGUUJUQDNXDQ-HXUWFJFHSA-N 463.586 2.662 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)N(C)C2CCCCC2)CC1 1705642689 DWCYLTCPTHCKAB-UHFFFAOYSA-N 478.641 2.966 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705827194 XSNYQMHGLCPDSK-OAQYLSRUSA-N 479.423 2.929 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cnnn1C 1705881924 GGZPMKUECXEKKT-UHFFFAOYSA-N 450.316 2.662 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1705902946 MYOOAAZLFKKQNV-FUHWJXTLSA-N 465.476 2.681 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1705905323 RJMBSBXFBKRZEY-SFHVURJKSA-N 481.626 2.898 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1705920568 AEGJPWKEEADQMK-RTBURBONSA-N 451.493 2.990 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CCC2)C1 1705921754 YSPABUBIGGVETD-MRXNPFEDSA-N 451.980 2.742 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1706100054 CGBRFCZMVTTYGD-WIYYLYMNSA-N 487.626 2.708 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1708632989 HVIWRHAVRKYPAX-IBGZPJMESA-N 489.628 2.518 30 10 JFEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1709211389 GGCRDGVUTFKNOM-FBBABVLZSA-N 472.615 2.635 30 10 JFEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1709453701 HBZJAMYMVVAMSD-RLWLMLJZSA-N 495.628 2.862 30 10 JFEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1722329888 LRMYBFLMMUSGIG-UHFFFAOYSA-N 481.511 2.581 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722336310 VDXQWUFNPNHEJF-UHFFFAOYSA-N 482.585 2.914 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722359899 XDZFSWXWOZCIFG-LAUBAEHRSA-N 484.544 2.652 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1722369995 JWNLZVZJZNODPL-FQEVSTJZSA-N 487.695 2.990 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722370503 NYZIRRPQEONKCS-QKNQBKEWSA-N 458.584 2.532 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1722372413 WDYSMCBWWDLKQU-LJQANCHMSA-N 462.641 2.854 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1722415998 HIIMICLGZZYXIN-OLJONYEBSA-N 473.662 2.926 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722458329 ZJPQDVMGTKBLTE-UHFFFAOYSA-N 481.670 2.540 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722463449 CLQQAHDRBGYTCT-SFHVURJKSA-N 457.575 2.954 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722530241 PLQGLEZMIXABLC-GOSISDBHSA-N 457.531 2.586 30 10 JFEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1 1722538910 ADJQSXAVVBDDRD-OAQYLSRUSA-N 483.613 2.791 30 10 JFEE C=C(Cl)Cn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722558418 NHZSZSXVMZBVLM-RXVVDRJESA-N 450.971 2.866 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722600855 QTNFHJREKMLVJI-IRXDYDNUSA-N 470.640 2.738 30 10 JFEE C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1722686257 VICWSLPKCPWUST-QGZVFWFLSA-N 481.663 2.961 30 10 JFEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1 1722704065 BHNRDLHBZSRWRC-SFHVURJKSA-N 465.476 2.781 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 1722706758 YEJCZIOKHKGKGB-IBGZPJMESA-N 478.519 2.917 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1722749133 DMDGILBKEPPVJH-LJQANCHMSA-N 475.571 2.707 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)C1CC1 1722869273 HJPRSSLMEGEKBW-CQSZACIVSA-N 461.364 2.742 30 10 JFEE CC(C)(C)Oc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cn1 1723007324 GRIVPPOWDXVDDM-LJQANCHMSA-N 475.553 2.661 30 10 JFEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1740571816 VZWJUIFOVFRRHE-UHFFFAOYSA-N 461.570 2.741 30 10 JFEE C#CCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740596629 IWQVQZOLHDHRBB-WSTZPKSXSA-N 453.591 2.639 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCOC[C@@H]1OC 1740636205 WSTZPEIUBXSBRN-XLIONFOSSA-N 473.371 2.841 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCCC 1740640014 HWAHGLMXUMMOPY-NRFANRHFSA-N 494.596 2.891 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ccccc1 1740657487 SREOPQYPTBVVGU-UHFFFAOYSA-N 455.566 2.994 30 10 JFEE 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C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300521089 SKGOEAKDYYXRCW-UHFFFAOYSA-N 475.000 2.652 30 10 JFEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300850940 GIRLQAQRFGRQPZ-INIZCTEOSA-N 491.409 2.706 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301018891 BEZYKQUIKOFMMW-KRWDZBQOSA-N 451.980 2.711 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccccc1 1301166781 ZSMNXAVLUYXDCU-FCHUYYIVSA-N 484.626 2.711 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1301188906 PLKIOWPNXOKUPM-RTBURBONSA-N 452.621 2.558 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301194343 JGOQGTZPTRSYAP-NRFANRHFSA-N 463.629 2.641 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1301339778 SWJHMJPRTGXPTM-FGZHOGPDSA-N 468.627 2.729 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1301423706 BSGMXXJJOQVAAG-LJQANCHMSA-N 472.546 2.738 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1359043605 ASTPVMIQKUUUBA-KNQAVFIVSA-N 450.587 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)F)cc2)CC1 1359043992 QMOMAVWEACRUFZ-UHFFFAOYSA-N 454.481 2.889 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359090735 FUAAKVMWYBRXJI-SIKLNZKXSA-N 481.601 2.601 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359128308 POULSDMQQVDVSL-UHFFFAOYSA-N 498.447 2.772 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359130882 ZJJJLHPNPJDQRC-UHFFFAOYSA-N 479.585 2.980 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1359130992 FAVAEEAVDXXRQQ-UHFFFAOYSA-N 465.602 2.705 30 10 JFEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359221490 CXSVLINJYWCJPY-IRXDYDNUSA-N 461.592 2.675 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359301857 NNCILAWKLPXYTJ-UHFFFAOYSA-N 471.430 2.797 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359303275 IYNZEWJKCUQOEJ-IBGZPJMESA-N 465.627 2.705 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccsc2)CC1 1359326607 FFCLIUUQTXGXAG-UHFFFAOYSA-N 463.629 2.560 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1359330809 DKOIURBPIKLAIX-HZPDHXFCSA-N 481.644 2.717 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCC4(CC(C(=O)OC(C)(C)C)C4)O3)cc2C1=O 1462677793 OUJKHSCAZLJHQU-JHZJELJQSA-N 454.523 2.868 30 10 JFEE COCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1504547533 GKFLZJQKLMTEMX-UHFFFAOYSA-N 492.559 2.935 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1c(C)noc1C 1507539030 QLGXRYKOWDGKSH-DNVCBOLYSA-N 458.563 2.892 30 10 JFEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507576178 KCNFANSUJDDFRI-SFHVURJKSA-N 485.386 2.902 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507628449 WPCDIXUSIXOVBL-JOCHJYFZSA-N 485.654 2.702 30 10 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452.565 2.819 30 10 JFEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1518372329 GXVJDMXFMPTNAB-XMSQKQJNSA-N 458.588 2.508 30 10 JFEE COCCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1518948140 GLYZHAYKKPUYNH-UHFFFAOYSA-N 477.617 2.567 30 10 JFEE C#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)cc1 1522531481 KWLGHGMVNNRCEO-UHFFFAOYSA-N 454.548 2.562 30 10 JFEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539055988 ORXDVUQPYDLSQB-UHFFFAOYSA-N 466.586 2.590 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539212657 WXWDRUVZVJIEJQ-ZWKOTPCHSA-N 492.045 2.778 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCc2cc(OC)ccc21)[C@@H]1CCS(=O)(=O)C1 1539231477 SNLAAEFKNULDBP-VQTJNVASSA-N 472.611 2.570 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc(F)c(F)c1 1539288253 BHJXOCQMUZBNFJ-UHFFFAOYSA-N 455.490 2.700 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1539431214 RCRBIOSZNYSDQH-HFZDXXHNSA-N 467.614 2.888 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1539556378 BZONSAKWHRBJFU-ZILOHOTNSA-N 471.627 2.797 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCn1cccn1 1539580216 IBZCPVBCZNROBA-UHFFFAOYSA-N 465.377 2.590 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1540019505 JJHWIZLUKCIENB-UHFFFAOYSA-N 482.614 2.918 30 10 JFEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1540026311 COFHZOISURFNED-UHFFFAOYSA-N 470.599 2.767 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)Nc2c(C)cccc2C)C1 1540883551 BHUZTJHOERBODU-NLFFAJNJSA-N 469.586 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1540906058 ZMIAXMRTQXIAQJ-KRWDZBQOSA-N 495.049 2.981 30 10 JFEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 1543424474 CBKGEZTVHXILCR-SFHVURJKSA-N 451.523 2.646 30 10 JFEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccc(OC)c(F)c1 1548369296 WGMKEHNIJSDAGQ-GOSISDBHSA-N 464.419 2.802 30 10 JFEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1nccn1C)CC2 1548379985 NHNGTTTYNQPFQP-IBGZPJMESA-N 488.514 2.758 30 10 JFEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1588030617 YMOJPNRBJXFMDF-IBGZPJMESA-N 490.029 2.678 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1588035144 PKNGDWJPIWIUPF-UNMCSNQZSA-N 466.611 2.537 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1588040451 NDCATOPEFHMILP-KRWDZBQOSA-N 477.015 2.628 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNS(C)(=O)=O 1588181357 SCUOLPAIHJCOBZ-GOSISDBHSA-N 478.018 2.700 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C)C(C)(C)C1 1588214312 PPGGCVIDXUTFLT-UHFFFAOYSA-N 470.625 2.620 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1588864590 HCPBCAPKRYFJRA-FQEVSTJZSA-N 461.614 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1588884919 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C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690454090 UEVODTVPIQKLEC-FQEVSTJZSA-N 495.671 2.565 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690464826 LFFCQRRLUDBRCV-GOSISDBHSA-N 472.590 2.874 30 10 JFEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690475519 VIBFJPWPROKUMT-UHFFFAOYSA-N 475.597 2.723 30 10 JFEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690511191 SHMBRLWPCXKDRR-UHFFFAOYSA-N 471.521 2.856 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1690622769 XQLIMFRKFKGTIM-MRXNPFEDSA-N 481.338 2.521 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1690675130 PRCCWNCSWLIROP-HXUWFJFHSA-N 494.621 2.712 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690858969 HMJHEJQOFLNCCQ-SFHVURJKSA-N 497.600 2.558 30 10 JFEE CCN(CC)C(=O)CCCn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1695587085 HKHCXVXXJCGUNM-UHFFFAOYSA-N 460.586 2.982 30 10 JFEE 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C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705617286 PRZCXDCCOFYANO-HDICACEKSA-N 458.632 2.617 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nnc(O)c4ccccc34)n2CC(F)(F)F)n1 1705631432 DRTYHKVEKXPJPI-UHFFFAOYSA-N 486.458 2.639 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@H]2C)n1 1705632308 ZKVORXCGLBKDON-TZIWHRDSSA-N 463.586 2.804 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(Br)ccc2OC)CC1 1705640818 HLLUISJLCTUBFO-UHFFFAOYSA-N 481.398 2.839 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1705648022 OZZKNLIYMHQTHN-GOSISDBHSA-N 451.571 2.988 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705652319 VMHIHWVDWGLDRH-HNNXBMFYSA-N 499.609 2.581 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCCO1 1705662176 RWOYRGBXOWDSSR-HXUWFJFHSA-N 455.632 2.824 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1 1705708608 FACYMEJCHISBQN-CYFREDJKSA-N 469.586 2.906 30 10 JFEE 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C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(O)CCOC2)C1 1705921545 URCGCBHXEQBBDS-IIBYNOLFSA-N 479.375 2.649 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC(F)F 1706069366 AYWDWIPTUKYTKQ-VXGBXAGGSA-N 476.937 2.787 30 10 JFEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)s1 1708971525 FRRTYHYVLNVYMQ-INIZCTEOSA-N 452.540 2.795 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CC)c1 1722305097 MFBWCCFTUVCCRI-RPBOFIJWSA-N 469.586 2.536 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1722370017 KFELFNMVYLJHND-MSOLQXFVSA-N 497.687 2.730 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722370819 FBBZZSTZUAKWTF-RBBKRZOGSA-N 488.654 2.760 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722371985 NPHHBOIBAJVVNA-ZJSXRUAMSA-N 462.660 2.969 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCn2ccnc2C1 1722419819 CQAHLLJLDLABPH-HNNXBMFYSA-N 458.364 2.581 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722464860 UOGBKCCRWHGXML-BZSNNMDCSA-N 499.703 2.974 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1)C1CC1 1722650659 HVWRLGRAZCJKIP-CYBMUJFWSA-N 452.378 2.541 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(c2nc(C)ns2)CC1 1722697105 WAVKSDGABIXBAG-UHFFFAOYSA-N 473.006 2.777 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722730273 NBQNEOIZJJJBHX-IBGZPJMESA-N 498.653 2.644 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1722731433 KSVDPXBHGCKDLW-SFHVURJKSA-N 488.532 2.842 30 10 JFEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1723561775 BUIIMTOOZMXTOW-IBGZPJMESA-N 488.596 2.593 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1728369899 ADXRWLIQBNZXHJ-SIKLNZKXSA-N 488.658 2.863 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@]2(N(C)C)CCSC2)c1 1740564522 PSAUALYVMGALPA-XMMPIXPASA-N 454.644 2.970 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740586994 UXEZQDGCEZHPQS-UHFFFAOYSA-N 475.615 2.626 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1740617899 YPKVAMQNIYKIHL-OAQYLSRUSA-N 470.643 2.708 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccccc2)CC1 1740693291 WNSICFKINFFULX-QFIPXVFZSA-N 469.387 2.699 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C)nc2)CC1 1740704345 OLWLZFVJLHGNGB-UHFFFAOYSA-N 474.565 2.680 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740710350 XZKZJNHUFVSXTA-VGSWGCGISA-N 478.615 2.939 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740789231 AOTLUPGNZUUYQK-UHFFFAOYSA-N 457.538 2.767 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(C(C)C)CC2)cc1 1740967592 LGMRGSHGTODNIM-OAQYLSRUSA-N 473.643 2.714 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2ccco2)nnc1[C@@]1(OC(C)C)CCOC1 1740993414 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KVDCJCQQXYMGRO-QGZVFWFLSA-N 468.558 2.830 30 10 JFEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C(N)=O)CC2)cc1 1540877522 YBZSQOIDQZYENW-UHFFFAOYSA-N 461.570 2.835 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1540893449 DDKZVYYLHWDZMF-QFIPXVFZSA-N 467.595 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)=C(C)C1 1540898581 OGWOZSBBXGEPJR-UHFFFAOYSA-N 492.671 2.694 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCC[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908831 ORYZOWBYERLONC-WOIUINJBSA-N 454.637 2.934 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1540917577 ZXBGHGRYUMQQAT-MSOLQXFVSA-N 499.703 2.841 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547407022 ABAFYFCVLDUVFX-UHFFFAOYSA-N 493.616 2.735 30 10 JFEE CC#CC[C@@H](CO)NC(=O)[C@@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21 1557362210 HWBZSEYOANQUJB-MHECFPHRSA-N 450.535 2.821 30 10 JFEE C=CCn1c(SCC(=O)CCNC(=O)C(F)(F)F)nnc1[C@H]1COc2ccccc2O1 1559333344 NWGUSRUOSWHLTG-OAHLLOKOSA-N 456.446 2.706 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)cc1 1585105192 SCBVFFGYERWGKM-OAQYLSRUSA-N 454.548 2.679 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOC1=O 1587632642 NPLVNPMFOFQNCM-QGZVFWFLSA-N 460.579 2.693 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN(C)C1CCCC1 1587663333 XDDNNITYEUPHSH-QHCPKHFHSA-N 463.674 2.975 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1588030575 XNPQELZSIYNGBZ-SIKLNZKXSA-N 470.643 2.730 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588046150 YJCOHDMVAHZTOC-GOSISDBHSA-N 462.019 2.711 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1588258736 IDTKGDMIZXTYKZ-WXFUMESZSA-N 468.690 2.933 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2OC)CC1 1589089555 SXUMIHVEFCKRLY-UHFFFAOYSA-N 462.623 2.961 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1589116048 BZYRLDWGNHITFF-UHFFFAOYSA-N 477.569 2.956 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1593752323 HCVLKECKAUFPAM-RDPSFJRHSA-N 484.620 2.590 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1594096964 KJYRWNSXXMKKBZ-YLJYHZDGSA-N 463.579 2.710 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1594192219 FPNOVGFTNZDURO-RUZDIDTESA-N 453.587 2.991 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1594628054 YREUHQYTJKXLQL-DVECYGJZSA-N 477.606 2.939 30 10 JFEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1594744003 IIEYPQOUZLXGBG-NRFANRHFSA-N 466.630 2.977 30 10 JFEE C=CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1594980808 OUHOQMKFVUDUOU-UFYCRDLUSA-N 454.575 2.911 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1595296747 ISMHUUMXBPGHDY-LJQANCHMSA-N 499.616 2.574 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1595297128 MXIZYZBRTGFXBB-LEWJYISDSA-N 492.665 2.752 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1595544833 MTRRTSJIMLNFIN-VAMGGRTRSA-N 488.633 2.700 30 10 JFEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595664666 IIQLRQKAMCQPCC-FQEVSTJZSA-N 480.613 2.707 30 10 JFEE COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1616583109 DFFYELUHFDKGGB-CTNGQTDRSA-N 456.518 2.755 30 10 JFEE CN(C)C1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1617654934 BRUUXLOBAQVGSJ-PMACEKPBSA-N 487.649 2.996 30 10 JFEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCC(F)(F)F)CC2)c(F)c1 1620350469 GLRXOYDRHWYXIX-MRXNPFEDSA-N 465.455 2.909 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCN2CCCC2)cc1 1620351616 CNQBEIGDGBUUQO-UHFFFAOYSA-N 477.535 2.899 30 10 JFEE COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)cc1 1628629160 BMYOXPVVTLGFAL-OAHLLOKOSA-N 450.886 2.675 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(F)c(Br)cc3C2)cc1 1639307473 WDXZWBGAUDSNFK-UHFFFAOYSA-N 451.317 2.698 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1639426281 YOZSUTOPYMBQED-SFHVURJKSA-N 459.546 2.902 30 10 JFEE Cc1cc(Cl)cc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1644017727 GSJVDYXSTGOODV-UHFFFAOYSA-N 451.907 2.571 30 10 JFEE Cc1ccc(S(=O)(=O)C[C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 1661502853 HZRIXQFATGIGEM-CYBMUJFWSA-N 457.371 2.770 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2CC)c1 1689868625 MMUODBOKLGJYMX-KCWPFWIISA-N 494.640 2.859 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCC[C@H]2CC)c1 1689868709 PAGQRAGLMMSZRM-HSZRJFAPSA-N 491.640 2.835 30 10 JFEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1689914994 MNRZCJIZENJHRX-QGZVFWFLSA-N 483.374 2.653 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccccc1)N(C)C 1689959732 LKOSQHSQHCXDFA-FQEVSTJZSA-N 451.600 2.611 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1689975331 RYRWOJIJIQCIFN-GOSISDBHSA-N 455.456 2.719 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(C)nn(-c2ccccc2)c1C 1690003119 DKQQKDIDFCTOGG-AREMUKBSSA-N 458.566 2.854 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690025659 ZOEAVSAWTKCIIV-NRFANRHFSA-N 475.515 2.810 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(Br)n1 1690056264 LMBDZQMQNITLGO-LPHOPBHVSA-N 458.360 2.671 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1690146674 TXXUSRXPHSBADQ-RBBKRZOGSA-N 465.598 2.914 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CNC(C)=O)CC1 1690166129 VYAADQDAVPXVPB-UHFFFAOYSA-N 457.600 2.681 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1690183328 UHZPPXOBMCYJAJ-KRWDZBQOSA-N 462.373 2.715 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690254602 DQZKROLVOQBUKP-WTGUMLROSA-N 477.606 2.841 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OCC)CC1 1690306355 UGQWYPSJDBQMID-UHFFFAOYSA-N 459.547 2.834 30 10 JFEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690629104 DGIHBWTZKPVHIP-DLBZAZTESA-N 451.568 2.851 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1690661769 GRLCLJXJASVSBE-UHFFFAOYSA-N 461.570 2.553 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1690705177 BSFXSURMYBNFHW-OFNKIYASSA-N 456.610 2.815 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1690720372 GVZFWZZAUFGZRF-HXUWFJFHSA-N 496.568 2.999 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCOC(C)(C)[C@H]1C 1690726439 ADBSHFSPVKVPPZ-GOSISDBHSA-N 457.600 2.886 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1690733907 QLEKIKKPPQCTRY-YJBOKZPZSA-N 469.608 2.525 30 10 JFEE CC(C)NC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)cc1 1692568608 DBAXTJFCQZEDHS-KRWDZBQOSA-N 452.563 2.831 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1cccs1)N1CCCC1 1692781320 GBVCMHWSTRQYPD-SPEDKVCISA-N 491.687 2.917 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@@H](C(F)(F)F)O1 1693781934 BPZFYNSCAXMZSG-KSSFIOAISA-N 460.464 2.734 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(C(F)(F)F)n1 1696336222 FEQJAZZCKXPFNH-HNNXBMFYSA-N 487.490 2.653 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)C(C)(C)C 1705504393 VCZVSVPFUQZOOS-YESZJQIVSA-N 467.636 2.720 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705535153 CEQSJAWGAMZTSG-LJQANCHMSA-N 470.568 2.693 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705556844 VPUMEAMYTDONLQ-SFTDATJTSA-N 465.577 2.889 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1705566178 LWGVHLZQGONOBH-LJQANCHMSA-N 469.611 2.880 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1705589435 PSGGZTPUKYEVJH-GOSISDBHSA-N 458.607 2.915 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCCCC1 1705593287 MMVFWEOEPBBCDL-OAQYLSRUSA-N 457.586 2.506 30 10 JFEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 1705601082 XNIKRASYYWTATK-AREMUKBSSA-N 479.650 2.570 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1705603098 NMYCRGPONDHMRJ-KRWDZBQOSA-N 455.563 2.934 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(F)c(F)c2)CC1 1705649613 BJVLJHDTUZSJKA-UHFFFAOYSA-N 464.520 2.751 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705669842 YTRRDJKYTAERCB-ILBGXUMGSA-N 489.617 2.605 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCCN2CCCC2)CC1 1705686518 AOKGEEADRKOTDR-UHFFFAOYSA-N 464.412 2.668 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1705693424 GMHMWVHRIYEZSI-HJNYFJLDSA-N 469.586 2.984 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1705717881 UHRZQQLUOOWPFK-HKUYNNGSSA-N 467.661 2.954 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1705797142 QQBLBAIGEPSGSA-SFTDATJTSA-N 459.616 2.614 30 10 JFEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705888841 XXOJHTXUAULBJZ-FQEVSTJZSA-N 468.558 2.694 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(F)F)CC1 1705896106 BUEZDFUHJYEJES-HNNXBMFYSA-N 464.586 2.821 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705897676 REHAGQAZWDMPFA-IEBWSBKVSA-N 457.550 2.991 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1705910456 CNICCGNNSSZDKV-MRXNPFEDSA-N 452.584 2.914 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705935442 ROFGODTWJOMTEL-DLBZAZTESA-N 466.554 2.611 30 10 JFEE CC(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 1706268016 IAZNJBINMWVOMJ-HXUWFJFHSA-N 486.642 2.931 30 10 JFEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CCO1 1708862678 GULOWKRHHMLPHS-QFIPXVFZSA-N 473.599 2.701 30 10 JFEE CCN1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1710246990 HQEAPRITXVXVOU-XXBNENTESA-N 497.669 2.928 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CCN2CCCCC2)c1 1712686120 GIAPEJBETIUPOL-UHFFFAOYSA-N 456.616 2.965 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1Cn1cccn1 1722354740 KAJUNKFQLBBMHQ-QFIPXVFZSA-N 491.596 2.949 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1722370507 BXTXADJVSTULGP-QHCPKHFHSA-N 463.607 2.832 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722371722 XUWYXLVUFJZMLD-IYWMVGAKSA-N 462.616 2.516 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ccc(OC)cc1 1722409881 ICHIZOKMWZZUFS-UHFFFAOYSA-N 468.583 2.785 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(C)(C)C)CC1 1722441887 WHDGDPJFHWQRJY-UHFFFAOYSA-N 451.575 2.718 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCOC2)CC1 1722450349 FOWNPTRIMRYQLO-CEWLAPEOSA-N 457.619 2.589 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1722458486 LBMMVYDBPOTBNE-OAQYLSRUSA-N 452.628 2.696 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(O)(C(F)(F)F)CC1 1722485198 QSXIQJBTMSPXHK-UHFFFAOYSA-N 478.269 2.808 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)CC1 1722577249 BJPHRAXIPTUTOO-SFHVURJKSA-N 456.595 2.972 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1722603031 DYSTWMXKPRCLDG-HXUWFJFHSA-N 454.600 2.735 30 10 JFEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1722630671 NNFAXYWEGPHTBJ-DEOSSOPVSA-N 470.643 2.977 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCOC1 1722748906 CVOOIESECSFQDT-OAHLLOKOSA-N 469.405 2.781 30 10 JFEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OCC(F)(F)F)nc1 1726445486 GAYXPOVKQBYYKN-OAHLLOKOSA-N 485.470 2.868 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1726841590 CJUABBVVTGPBGV-CRJVXGLXSA-N 469.586 2.910 30 10 JFEE COc1ccccc1OC[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1730313477 FLGBASCGEWHVNG-SBUREZEXSA-N 456.522 2.680 30 10 JFEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCC1 1730640271 CUIHYBHEYMDOLV-UHFFFAOYSA-N 486.642 2.884 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740619247 GZEFKFYFAOHZBO-AWEZNQCLSA-N 495.005 2.827 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CN(C)C 1740657730 WWVYPXZRWITIJH-HXUWFJFHSA-N 472.634 2.637 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1740683745 NOHDTABNAYLNAH-HXUWFJFHSA-N 471.606 2.944 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2nccs2)CC1 1740691777 CZMNMNYKOZPTGR-UHFFFAOYSA-N 452.584 2.807 30 10 JFEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)COC)CC1 1740712686 QSPNGDATKHOSPP-UHFFFAOYSA-N 455.628 2.904 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCC)C1 1740715561 BZFYCCCTNXRWNV-GOSISDBHSA-N 466.611 2.904 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(CC)cc2)CC1 1740839689 NHMLMBWBXARSQO-QFIPXVFZSA-N 473.643 2.819 30 10 JFEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740871420 CMRNNADFEAJWOL-MRXNPFEDSA-N 461.496 2.960 30 10 JFEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740886872 VUARWQSAPCQJFX-UHFFFAOYSA-N 462.554 2.525 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1740922908 WPOSBRNZTUIHOB-INIZCTEOSA-N 490.659 2.509 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1740946833 IOSRVIWWRBFIDA-OAQYLSRUSA-N 454.623 2.575 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740964023 FEUWTISNWBVDGJ-UHFFFAOYSA-N 475.475 2.703 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccs2)CC1 1740990173 KVJZPVZEPLPECK-UHFFFAOYSA-N 458.613 2.637 30 10 JFEE CC(C)(O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1741254942 GVUYBDCSOAAXCR-LJQANCHMSA-N 480.594 2.880 30 10 JFEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)N(C)C 1741418891 DYCQFGUEPAQFNU-RBBKRZOGSA-N 487.674 2.559 30 10 JFEE C[C@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1743029363 HGVMGFSSZOMRLB-FPOVZHCZSA-N 466.586 2.993 30 10 JFEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 1746089200 HMXMIOBOBQHPMI-SFHVURJKSA-N 458.570 2.773 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)CC1CC1 1748651733 PPMQCYOYBMNYLZ-AWEZNQCLSA-N 451.390 2.990 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)Oc1cccc(OC)c1 1748784389 MCPRYYYGZPSHEH-KRWDZBQOSA-N 468.583 2.784 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](Cc1ccccc1)OC 1748790100 SQKSYFDXCPHQGR-RTWAWAEBSA-N 469.586 2.914 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748808255 IZVRVBGNOFEQTJ-GOSISDBHSA-N 488.017 2.620 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1748903170 SYAXOALCCUPKHA-QHCPKHFHSA-N 453.562 2.816 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1748979819 OCNKMWFMPARYNJ-FQEVSTJZSA-N 469.655 2.823 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1748992891 JKTOKIUAPNMJJQ-RUZDIDTESA-N 457.626 2.884 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1749004719 MDPPONOMXTXRFN-FQEVSTJZSA-N 470.643 2.502 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)CC1 1749019046 IXDRUIDNIMTGLC-UHFFFAOYSA-N 489.624 2.571 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOc2ccccc2)CC1 1749095752 BIJLEONVZCVDMK-UHFFFAOYSA-N 472.391 2.788 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1749120619 GSUONBDURLXLCL-QPPBQGQZSA-N 453.587 2.858 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749138989 APQUGJCPNGDLAU-ICQAOKEUSA-N 475.634 2.795 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1749193730 NQPRULYHUQZPCP-INIZCTEOSA-N 476.578 2.686 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1749194215 YAMCTKZDAYBNAA-QGZVFWFLSA-N 491.511 2.981 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749255732 HUMULCGOBLMANO-UHFFFAOYSA-N 482.976 2.955 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1749272279 OOEILQIIFUXQSH-GOSISDBHSA-N 458.010 2.586 30 10 JFEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1749424611 LJBZQNOIJLZIJL-UHFFFAOYSA-N 499.641 2.549 30 10 JFEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(I)cc1 1749461633 FAHBCEPDTPMDQR-UHFFFAOYSA-N 451.312 2.789 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749657924 GAMWKGLGKFFVEG-HXUWFJFHSA-N 496.431 2.846 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749658721 VTZMMJCEGWSYTD-PMACEKPBSA-N 469.586 2.906 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2csc(C)n2)CC1 1749664306 JWDMMVFRIDVECB-UHFFFAOYSA-N 472.018 2.988 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1749676532 UIKPFIDGEUFKTE-UHFFFAOYSA-N 483.617 2.649 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](CC)OC)C1 1749713480 UFMALQGWJDKFAE-OTWHNJEPSA-N 465.595 2.793 30 10 JFEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 1750202473 HSTKOZZDOZREIX-UHFFFAOYSA-N 486.642 2.618 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2cccnc2OCC(F)F)c1 1750380997 FMCGDJLBHFXKHU-QGZVFWFLSA-N 481.507 2.996 30 10 JFEE Cc1cccc(C)c1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1751598193 DPWZXRRMWUMZNE-SFHVURJKSA-N 460.604 2.714 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(C)C)CC2)c1 1760128852 UXBIDZCSWJZXHM-IBGZPJMESA-N 469.611 2.673 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760132032 GVUSFIPRCDOKAX-GOSISDBHSA-N 470.961 2.883 30 10 JFEE 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482.585 2.856 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1539441864 XLCWPVAOUYWMAW-UHFFFAOYSA-N 487.004 2.647 30 10 JFEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539510897 OJWMCHGCMNIJNL-INIZCTEOSA-N 459.597 2.836 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1539612597 OETVBXUCGTUGCQ-YLAKUSLOSA-N 471.396 2.685 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1539616106 OLEOWZMLNUMPLB-DCIKREJASA-N 464.607 2.758 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1539637310 PFZCSDLKLQPJQK-AUSIDOKSSA-N 474.005 2.799 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539644411 ONSOQZWVWYXBLA-QTEQDKRBSA-N 485.610 2.723 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539688516 FEVMETLNBMZCLN-UHFFFAOYSA-N 460.604 2.555 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 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2.777 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1507753330 FEUXZDLISQPXCO-GOSISDBHSA-N 476.647 2.821 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507781598 DEWQZHWDTYOTCD-MRXNPFEDSA-N 480.374 2.934 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1507802759 CNGGFWRNGYMMSE-JTAQYXEDSA-N 453.587 2.821 30 10 JFEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507826980 MSINZRCSKBYJFQ-UHFFFAOYSA-N 467.574 2.954 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(F)c(F)c2)CC1 1507897998 VJWWLNOKDYUKCC-CQSZACIVSA-N 455.531 2.648 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1507901227 DYDZSMJYMHOWEA-UHFFFAOYSA-N 479.647 2.789 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507913065 VOKNXKPFQWSZIW-GOSISDBHSA-N 488.658 2.855 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1)c1ccccc1 1507927783 DEUGROULTNHBOV-NHCUHLMSSA-N 489.642 2.586 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2nccs2)CC1 1507966459 YGMCJZUERTVECW-UHFFFAOYSA-N 456.620 2.906 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1508077409 NJSJHYGOYUSEMP-KRWDZBQOSA-N 489.418 2.752 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1508079195 PIHIJZRIAZVJHY-QGZVFWFLSA-N 467.599 2.596 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1508131627 NDRCXMDQCCZGNI-IBGZPJMESA-N 474.606 2.581 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1508134883 HYTYWKSNTQWCRL-UHFFFAOYSA-N 493.033 2.583 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1508168404 VARQLPQKBQCYNN-UHFFFAOYSA-N 483.642 2.878 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)CC1 1513195174 CZLPYNTUCPIKDH-GOSISDBHSA-N 478.626 2.553 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCCC2)cc(OC)c1OC 1517976042 CSAGOPIQMGROOU-LJQANCHMSA-N 470.574 2.576 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3N(C)C3CCN(C)CC3)cc2C1=O 1528655415 UZFBHCVJGHTYBC-DHIUTWEWSA-N 452.599 2.878 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1ccc(C)c(F)c1 1539155169 PLERAJGIKRGTEP-UHFFFAOYSA-N 459.323 2.983 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539497891 QJAPCCSRYJSHAM-LJQANCHMSA-N 491.564 2.741 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1539722076 JSMKHLXMXDJVFH-UHFFFAOYSA-N 490.543 2.855 30 10 JFEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539759007 WFKPOHGTFPFXRX-XMMPIXPASA-N 474.627 2.680 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540870030 DEUIALFKPVWKIF-MSOLQXFVSA-N 462.595 2.658 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C1CCC2(CC1)OCCO2 1540874390 FNAHJDRKIARVMK-UHFFFAOYSA-N 469.586 2.898 30 10 JFEE C=CCNC(=O)Cn1c(N(CCO)Cc2cc(Br)ccc2F)nnc1C(C)(C)C 1540875942 CJJLBRXBXLLNHW-UHFFFAOYSA-N 468.371 2.778 30 10 JFEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 1540879008 PIHMTIYQAYWGKG-OAQYLSRUSA-N 466.630 2.977 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1540895072 KXPLRIPHMQGWCN-RTWAWAEBSA-N 460.600 2.914 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1540908136 CKTIDVSANWTCBL-MZKRTTBSSA-N 466.648 2.936 30 10 JFEE C=CCSCCn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1540922103 DEQKSNDEFOEVHC-LPHOPBHVSA-N 463.570 2.922 30 10 JFEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1545678457 CHXSQLBWAKZYTC-RLSLOFABSA-N 468.602 2.843 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1546576760 BQRUEHUDFCRILY-QFBILLFUSA-N 467.574 2.692 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 1547700048 GWXUFKHRMMKJSQ-NZQKXSOJSA-N 451.619 2.704 30 10 JFEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)CCn1ccnc1)CC2 1548378105 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1690629156 HEBTUQZUVRTNEH-IBGZPJMESA-N 456.566 2.878 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(Br)cc2C1 1690661052 TWVWJHBDBIWUMB-OAHLLOKOSA-N 478.391 2.630 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690661258 YHKRTNNCGUNAPX-RDTXWAMCSA-N 487.948 2.643 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C(C)C)C1 1690684825 PFHKXBZUXMEAPV-HXUWFJFHSA-N 454.575 2.701 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690720257 CZKADNMONGWYBU-GOSISDBHSA-N 475.615 2.897 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1691550689 HGQSEBOCMKGEOJ-SANMLTNESA-N 490.612 2.604 30 10 JFEE CC(C)CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1692035938 BLIUDKKTYSGGPC-PKOBYXMFSA-N 472.615 2.951 30 10 JFEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C[C@@H](C)O1 1694966464 CAQWNUBQKZANSR-CTNGQTDRSA-N 468.602 2.843 30 10 JFEE 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C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2cnn(C)n2)CC1 1705782712 GCNUPQBCKWEIOL-FQEVSTJZSA-N 486.621 2.750 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1705865766 VRIXAQPXCDBYIL-OAQYLSRUSA-N 462.572 2.888 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCN2C[C@H]1C)C(C)C 1705867413 NHNUBQVQUBZILT-DNVJHFABSA-N 469.678 2.886 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1705869645 AOQXWNMNYCDFKX-GFCCVEGCSA-N 460.423 2.939 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705898991 FGLDABMBBHFMHN-HZPDHXFCSA-N 461.408 2.929 30 10 JFEE Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)cs1 1707766338 BJMLXKPNIPKOKD-UHFFFAOYSA-N 482.589 2.761 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722330186 KFBTWUIECSGIIB-UHFFFAOYSA-N 485.430 2.865 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(S(C)(=O)=O)cc1 1722344006 RWANTBDYWZGOJM-UHFFFAOYSA-N 462.373 2.567 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1722364957 MYMJIDQQSSOALK-IEBWSBKVSA-N 478.590 2.999 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1722370568 CNDKCJGZFZQAMK-FQEVSTJZSA-N 474.627 2.652 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1722390821 GETUMHNGNICNPB-GOSISDBHSA-N 476.002 2.570 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC(NC(C)=O)CC1 1722503730 XQEQJQNTBPCRAJ-CYFREDJKSA-N 469.586 2.952 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722551921 IHXAVPFGXKNPGW-BBWFWOEESA-N 471.986 2.579 30 10 JFEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722698305 YICSSNAULWYTQU-UHFFFAOYSA-N 463.586 2.812 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(N)=O)CC1 1722731295 JGTRNWVXVGJLDU-UHFFFAOYSA-N 475.553 2.630 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC(=O)N2CCOCC2)cc1 1731180533 FRBQHMJCEBQHAU-IBGZPJMESA-N 492.502 2.613 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CC)c1 1740561382 DLLXJWMTPJKTSO-WNCULLNHSA-N 494.640 2.861 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(O)CCCCCC2)c1 1740562538 MNTKSBFNIIQCRE-UHFFFAOYSA-N 466.586 2.558 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740594762 BHRBKZYAIICIPQ-UHFFFAOYSA-N 480.569 2.671 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OCC2CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1740616384 ADGAZGZAURMMBM-FXAWDEMLSA-N 457.600 2.650 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1740621800 PHYVTUCUYRCXHU-DLBZAZTESA-N 471.608 2.841 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(Sc2ccccc2)CC1 1740656845 NLWMIPRKRMMKKZ-IBGZPJMESA-N 454.621 2.968 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCC1 1740657105 PKELEPJTVVACPM-HXUWFJFHSA-N 470.618 2.534 30 10 JFEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740720421 YJNICXDFXVFITK-HSZRJFAPSA-N 458.653 2.835 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(CCN(C)C)CC1 1740726086 UJFMDPJMADDUQU-FTJBHMTQSA-N 472.678 2.584 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1740758507 YGHZZGIBPMEPMT-UQWVPHONSA-N 480.613 2.866 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740761741 AAXUNVVLGZXGMV-JTHBVZDNSA-N 473.643 2.516 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740778872 WBIVTXSHVUAKQU-UHFFFAOYSA-N 472.615 2.651 30 10 JFEE C=C(C)COCCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740792006 DUMRRJMYSUEMPZ-OFNKIYASSA-N 458.651 2.907 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740792573 KCZIYBNEGIYGOS-SQJMNOBHSA-N 498.647 2.980 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740794515 CDDNGSSXQKQRLE-KRWDZBQOSA-N 496.580 2.539 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 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1508158111 DVVMTYXPQYHOHO-IBGZPJMESA-N 470.599 2.607 30 10 JFEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508162901 QWKIGAGLROOXPP-FQEVSTJZSA-N 479.647 2.932 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1509949786 CKFLGBLMIYIVKB-GOSISDBHSA-N 477.617 2.606 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(C)c1 1513399992 GXJKJNXJBKIDML-LJQANCHMSA-N 487.612 2.930 30 10 JFEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1N(C)CCCC1(C)C 1517325572 BLJXCWHSDCNUNA-JOCHJYFZSA-N 451.619 2.706 30 10 JFEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ncc(Cl)n2C)CCOC1 1517947474 GLRMLJKCOPRGDP-QFIPXVFZSA-N 471.949 2.558 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1518959832 IBGJDMNZSNXPNJ-MHECFPHRSA-N 481.626 2.944 30 10 JFEE CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CCOCC1 1519883235 GLYOTBNJPRNUGY-UHFFFAOYSA-N 483.642 2.527 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1525737069 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30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1539698155 LSRVGSXRQMRKQA-ZFWWWQNUSA-N 458.510 2.970 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2C)CC1 1539849483 XHODEAUOIZHUOQ-TZIWHRDSSA-N 475.615 2.543 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNS(=O)(=O)CC)CC1 1539875130 SLXILIXCTWNGGN-MRXNPFEDSA-N 451.568 2.899 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1540033479 JLYVSWAHMQSVPJ-HXUWFJFHSA-N 467.574 2.612 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCN1CCCS1(=O)=O 1540141801 FLPLMHIAHIIQGE-UHFFFAOYSA-N 458.613 2.938 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCCS1(=O)=O 1540170746 PVAYQNIPNSLJOZ-UHFFFAOYSA-N 494.662 2.607 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)C)CC1 1540898275 FHJNBJAXQKHTRC-SFHVURJKSA-N 465.595 2.688 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540910246 CAXWMCNKOKOWJJ-HSZRJFAPSA-N 491.683 2.569 30 10 JFEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(=O)NC 1540914508 ALTONVQIQLISRM-KRWDZBQOSA-N 466.652 2.884 30 10 JFEE C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)Oc1ccc(F)cc1 1541834886 GIXIMZUKRSCUTG-HOTGVXAUSA-N 464.567 2.625 30 10 JFEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1542975707 HBSZBUGQBFRGGX-BGYRXZFFSA-N 462.602 2.957 30 10 JFEE CCCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1547005704 FCRSELBRDZWPHM-HSZRJFAPSA-N 451.619 2.708 30 10 JFEE CCn1cc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@@H]2C(N)=O)cn1 1548380319 VXBBNTBRPGBMDC-LJQANCHMSA-N 474.487 2.780 30 10 JFEE CN(C)S(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1552889223 BQZHEGKEPYOVAP-GOSISDBHSA-N 472.999 2.557 30 10 JFEE C#CCN(C(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1)[C@H]1CCS(=O)(=O)C1 1564742410 CCLVDNCHDDAWRG-SFHVURJKSA-N 458.536 2.828 30 10 JFEE Cn1cc([C@@H]2[C@@H](CNC(=O)NC3CCN(c4ccccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 1565066245 CAZPBMNOPSUWOQ-DVECYGJZSA-N 477.613 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462.641 2.919 30 10 JFEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)CC1 1587786977 DJNJRILLRFXDSA-UHFFFAOYSA-N 453.587 2.970 30 10 JFEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1587834717 DNKBCHDMNUDJNO-JOCHJYFZSA-N 466.630 2.982 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1587861257 IRBHCGLMUPGFJU-SFTDATJTSA-N 457.600 2.674 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588054499 NSXIKKNCESSVAL-NRSPTQNISA-N 490.601 2.796 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1588064735 OCLODFISMGJVKW-JOCHJYFZSA-N 479.606 2.726 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1588068900 BVBWQXNVVGPICB-UXHICEINSA-N 499.662 2.887 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCOCC1 1588482878 XCAQEKSFIZASGE-IBGZPJMESA-N 457.575 2.920 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@@H]2C)CC1 1588768279 DGTBGPCCDNKHSS-NRFANRHFSA-N 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CS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 40974944 IOSCQMWDOQVSFE-UHFFFAOYSA-N 457.527 2.852 30 10 JFEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2N)cn1 59830062 OASOATPVHASECZ-QPSGOUHRSA-N 466.358 2.858 30 10 JFEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n2)cc1 59844462 WEXLEIDCCMXCGL-KEBDBYFISA-N 454.472 2.848 30 10 JFEE CC(=O)Nc1ccc(C2=C(N(C)C3CCN(C)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170052794 QERHIHJMILCCSC-UHFFFAOYSA-N 457.534 2.827 30 10 JFEE C=CCn1c(SCC(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)nnc1-c1ccc(Cl)cc1 509116356 ZVSRDGROTSOUCF-UHFFFAOYSA-N 484.969 2.730 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)cc2C1=O 520099166 DESSJJFGAAORBS-OAQYLSRUSA-N 453.926 2.925 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CCCOc2ccc(OC)cc2)nc1C 526882306 IAZDKQQTQOYAHV-SSEXGKCCSA-N 452.554 2.959 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N(CC)c3ccccc3)cc21 586312849 IBCJPWLPZFQQCT-IAQAZVPISA-N 454.548 2.971 30 10 JFEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccccc3)c2=O)c1C 728556952 AVQIYEZSISQTRG-UHFFFAOYSA-N 462.619 2.672 30 10 JFEE C#CCN(C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)[C@H]1CCS(=O)(=O)C1 729334491 QTSPFRKLPIYJHA-FQEVSTJZSA-N 489.391 2.893 30 10 JFEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c(F)c1 729832932 UMEMAKUFWSFUBF-UHFFFAOYSA-N 480.905 2.976 30 10 JFEE CCN(CC)c1c(C=NNc2nc(SCCC(=O)NC)n[nH]2)c(C)nn1-c1ccccc1 1084627555 OGOLFUANRFCKLT-UHFFFAOYSA-N 455.592 2.819 30 10 JFEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 1130462704 HRKJBIYWWWFBAV-UHFFFAOYSA-N 457.552 2.938 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)c1 1141009459 IPQVDHZOWRJIEV-KRWDZBQOSA-N 451.317 2.917 30 10 JFEE COc1ccc(C[C@@H](CO)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1Br 1158331813 GPYFAVXYEWPFKX-MOPGFXCFSA-N 456.340 2.979 30 10 JFEE C#C[C@@H](NC(=O)NCCOCCOCC(=O)OC(C)(C)C)c1ccc(Br)cc1 1230498929 NRRIIRMDOHASCP-QGZVFWFLSA-N 455.349 2.798 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 1286303689 RZZWWIKAVZNNBZ-HYBUGGRVSA-N 455.628 2.565 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCn2ccnc2C)c1 1286311934 SCZGHURDMZCAOS-OAQYLSRUSA-N 461.570 2.824 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1conc1COC 1286465642 QNQGXPOWQAAVLN-GOSISDBHSA-N 488.589 2.661 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(CC)CCC(F)(F)F)CC1 1286476092 NTZLAHCYYDRFBE-UHFFFAOYSA-N 459.520 2.846 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1286486362 LSQGIQPMCCJLBJ-WMZHIEFXSA-N 492.624 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[C@H]2COCCO2)CC1 1286487973 JDRLXIZAQSDWMS-XZOQPEGZSA-N 465.598 2.591 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286669390 DNTWELZCVZCYSC-LJQANCHMSA-N 476.647 2.517 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1286678505 YLLWZNRRGNXONJ-QFIPXVFZSA-N 452.603 2.642 30 10 JFEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1286678967 HUMJYTCUIKGMIC-DNQXCXABSA-N 460.582 2.965 30 10 JFEE C=CCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286700384 MGZLPHSBSWQVDD-KURKYZTESA-N 467.636 2.569 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1)C1CC1 1286736301 CYQWCVKPYYAOOM-QGZVFWFLSA-N 465.645 2.805 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H](O)C1 1286740438 MPKLUCOQXPZGFZ-PWRODBHTSA-N 474.627 2.933 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1286757904 YGPNPYTZXDMIPB-OAHLLOKOSA-N 475.562 2.519 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286777711 ILQRTDSMEMAEKS-NRFANRHFSA-N 486.686 2.996 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1286958751 BLEUJELCLZCYSK-LEWJYISDSA-N 487.612 2.732 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCC1(C)C 1288154286 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1301326973 JYOKJKYDROWCTC-IBGZPJMESA-N 457.579 2.718 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1301520711 MECSLZDKJAJOMZ-JSGCOSHPSA-N 485.429 2.625 30 10 JFEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1301609423 IYRXVQHFLNURFI-UHFFFAOYSA-N 469.659 2.702 30 10 JFEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1302734645 DBPYDTSIFRVUHY-INIZCTEOSA-N 452.588 2.893 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)cc1 1304381025 IOQBAVVCZOBUSB-SFHVURJKSA-N 457.552 2.650 30 10 JFEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1315791261 BTJPJAQQBHTJJG-SFHVURJKSA-N 465.533 2.872 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCN(C(C)=O)CC1 1358872571 WEYSEOOZLGNPNI-TZIWHRDSSA-N 452.603 2.657 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ncccc1F 1358891348 FIFPQFVXRIGIMU-AEFFLSMTSA-N 474.537 2.658 30 10 JFEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1358907374 MPSWTXFAZLNWDM-VWLOTQADSA-N 475.641 2.851 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCN1CCC 1358950097 WOOSYYGUKJJRST-VQTJNVASSA-N 460.623 2.920 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1358958161 IUGJBPZVMKZQCS-LJQANCHMSA-N 456.568 2.871 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358966083 HOXNGIDXZFCAES-RCZVLFRGSA-N 470.639 2.935 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1358971992 POIHERUEUXFNJC-OYRHEFFESA-N 467.639 2.789 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1359038766 JUTUWEOWRYRKNZ-UHFFFAOYSA-N 493.612 2.741 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCC[C@@H](C)C2)CC1 1359039034 UPUBCGGEEUCLKD-OAQYLSRUSA-N 450.631 2.961 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1359082310 FDYWPXSLTBMZTC-OAGGEKHMSA-N 467.412 2.659 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359127597 VDEOKPJRJOTMLS-LJQANCHMSA-N 478.391 2.642 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@]2(CCOC2)C1 1359296047 VKTLNCIMBZYLHK-OAQYLSRUSA-N 476.375 2.635 30 10 JFEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359343996 HYZAQGNARKARDL-XMMPIXPASA-N 484.626 2.611 30 10 JFEE COCCN1C[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CC1=O 1504901727 BJYPPHYGNGBSNC-HXUWFJFHSA-N 454.550 2.633 30 10 JFEE C#CCCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507596590 LLXIDBRILGSNSO-YBJWPOLQSA-N 459.591 2.846 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507610797 GMZZVXTZGLQCTI-PCCBWWKXSA-N 462.554 2.911 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507632562 NFRCLINOSTUHNS-PZJWPPBQSA-N 490.601 2.797 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507637033 GDSQKKUEECXWRS-XMSQKQJNSA-N 462.641 2.667 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nc2c(s1)CCCC2 1507641161 ABGQBBICSYUOBL-XMMPIXPASA-N 453.612 2.970 30 10 JFEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507694718 QYLZOSORNDLKEE-IFMALSPDSA-N 471.627 2.829 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1507751261 LWKRRDUQHZYTGB-MSOLQXFVSA-N 480.681 2.794 30 10 JFEE C=C(Br)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507792087 DOZWFNGTKUDAMX-HNAYVOBHSA-N 472.384 2.504 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507801304 TZNQTGJUDLTSRN-KNKQGSTJSA-N 484.626 2.981 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507910605 WSGCBJMFUPYHLZ-FQEVSTJZSA-N 466.634 2.744 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507920369 URNVSWQVYDRARN-YADHBBJMSA-N 499.704 2.820 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507929979 XAXXVXVBBZBPPC-UHFFFAOYSA-N 478.557 2.977 30 10 JFEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507941490 HNZAKAGQFZVHTM-SFHVURJKSA-N 468.558 2.791 30 10 JFEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507946843 XROAKSLVNPAATR-UHFFFAOYSA-N 453.572 2.521 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(OC)CCCC2)C1 1508115037 DIFGUSXOAQBLJA-FQEVSTJZSA-N 489.642 2.936 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1508121294 DBLXEDGBGURTJO-HOTGVXAUSA-N 457.522 2.723 30 10 JFEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1508159505 VKCQEQJGFWQANC-QGZVFWFLSA-N 458.607 2.793 30 10 JFEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1509252457 FEOFIEZKAPWNLN-YKSBVNFPSA-N 488.658 2.770 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1(O)CCCCC1 1510181938 DMGJXEHVKWKMEG-QGZVFWFLSA-N 472.615 2.624 30 10 JFEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1)OC 1513494579 HMKVYJFJFDTUIT-HXUWFJFHSA-N 452.559 2.745 30 10 JFEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CCC2)CC1 1516002248 CVGJTPNPLBORKG-UHFFFAOYSA-N 465.602 2.567 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1521055725 GUSRIGLAMLCONI-IBGZPJMESA-N 452.412 2.903 30 10 JFEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539133617 ZZCQHFKSBCUUKY-UHFFFAOYSA-N 464.614 2.632 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1539204119 YXKDTTKADYLMCL-INIZCTEOSA-N 479.002 2.675 30 10 JFEE C#CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539205377 HJCFYMMFHCUEFZ-XLIONFOSSA-N 498.678 2.954 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539221568 QAKOFENMSQWWFF-UXHICEINSA-N 460.575 2.571 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539322911 AMJRRQPEXRHOQD-GMAHTHKFSA-N 461.566 2.801 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539350289 GQQWFGIFNRJBGJ-CQSZACIVSA-N 484.395 2.588 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1539370787 GJYANWYEUTZBHO-QUCCMNQESA-N 458.607 2.530 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1539499971 SWARWIKGSHBXEC-RBBKRZOGSA-N 450.612 2.730 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)[C@H](C)C1 1539729096 NTRYNXFLUVWZMB-MRXNPFEDSA-N 467.412 2.785 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN(C)c2ccccc2F)CC1 1539874758 OZTJBWWVBMTWSF-QGZVFWFLSA-N 464.611 2.956 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1540035277 AGNYVEXTCAEWJF-NRSPTQNISA-N 460.600 2.739 30 10 JFEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1540098870 KPGGENYFCDEFSM-ZPHPHTNESA-N 472.347 2.717 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540901812 PZAAOKALDCAHGG-VQIMIIECSA-N 490.630 2.599 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(C)C)C1 1540907487 YHZIKXMAEYMPSW-NRFANRHFSA-N 462.616 2.936 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540920068 MXJZDYNMSRYCFG-UHFFFAOYSA-N 481.607 2.724 30 10 JFEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccs1 1541990266 CSDCTHDFSOKUHS-VGSWGCGISA-N 492.671 2.780 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1547738632 FGVQSIFVYWOZLA-UHFFFAOYSA-N 463.586 2.744 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccc(OC)cc1C 1548369294 VWBZJKMMDVXIQO-FQEVSTJZSA-N 460.456 2.971 30 10 JFEE CS(=O)(=O)N1C[C@@H](C(=O)NC2CC2)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548396231 HMUQBCPKKHFUFO-RBUKOAKNSA-N 484.544 2.580 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1587585920 HPNJHJHDCVADES-QGZVFWFLSA-N 490.633 2.997 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCCO)CC1 1587862339 VFXCLGFHQWDYNO-FQEVSTJZSA-N 461.607 2.989 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1588045466 LMBAWNLTXXDSTL-KRWDZBQOSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1588046022 VXIYMJMNCKLBIX-LEWJYISDSA-N 485.654 2.845 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCN(C)C(C)C)CC1 1588806475 RVEKDAPQRJFKRF-UHFFFAOYSA-N 490.656 2.551 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(F)(F)Br)CC1 1588871652 LLSCNJFDLRFVNF-UHFFFAOYSA-N 470.318 2.609 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(OC)nc2)CC1 1588891903 UZAMZCHWTQDXQY-SFHVURJKSA-N 492.555 2.975 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1589427216 DYKYMYMQAYRHGG-UHFFFAOYSA-N 450.337 2.675 30 10 JFEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1589449446 FPLKQLITVHFZOR-UHFFFAOYSA-N 469.771 2.881 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1594497511 IHHLZAGJUBIDQI-BHIFYINESA-N 498.653 2.957 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1594566224 BOLHNEOAORGJGK-UHFFFAOYSA-N 454.550 2.858 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1594680320 RNEWKEZGZLESIH-JXFKEZNVSA-N 465.595 2.944 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NC)c1 1595157135 VZPKTMIQOBCVLL-IBGZPJMESA-N 450.568 2.891 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@@H](SC)C1 1595488718 ANVRCYCQJPUCNG-QGZVFWFLSA-N 491.687 2.571 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C(=O)OC)C1 1595490119 MXLUHKDSSXZRGG-LJQANCHMSA-N 462.554 2.654 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1595577043 HHJPRYHLDXLSJB-DLBZAZTESA-N 490.402 2.785 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1595804895 HRLLORLUUSUORG-UHFFFAOYSA-N 491.633 2.959 30 10 JFEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1595884585 NVXRJQLUJYYBSK-GJYPPUQNSA-N 466.629 2.968 30 10 JFEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1598158570 HZPBAPDNUFVVGE-KRWDZBQOSA-N 493.534 2.574 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nnc(C)s2)cc1Br 1619210685 GKECJNXDVNLYNW-CYBMUJFWSA-N 476.360 2.653 30 10 JFEE Cc1nnc(SCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1Cc1ccccc1 1624812827 AAYNHHVTTPKTFN-ROUUACIJSA-N 456.572 2.602 30 10 JFEE C#C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1634966473 RUOPYXHSMCCNOW-IAGOWNOFSA-N 454.390 2.800 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)s1 1648458514 PIADEHYQRJSAAD-HUUCEWRRSA-N 457.618 2.659 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1N1CCOCC1 1649538456 QVIZZVTXAUXQPQ-NLFFAJNJSA-N 453.587 2.662 30 10 JFEE Cc1ccc(O[C@@H](C)C(=O)N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)c(C)c1 1653412456 DAHYLDGJLJTXPV-AZUAARDMSA-N 452.580 2.954 30 10 JFEE CNS(=O)(=O)c1cccc2c1CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C2 1658631179 HDOQQMDYAZYNQM-MRXNPFEDSA-N 458.609 2.843 30 10 JFEE C#Cc1ccc(S(=O)(=O)N2CCN(CCCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 1666403014 UWBDEIHLWSLBIH-UHFFFAOYSA-N 450.564 2.965 30 10 JFEE COc1ccc([C@H](NC(=O)NCC2(C#N)CCOCC2)c2cccc(S(C)(=O)=O)c2)cc1 1685740858 HIBBFQFRCJRDDM-NRFANRHFSA-N 457.552 2.808 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2CCN(C(C)=O)CC2)c1 1689872286 UDZRRAWTFKYVBJ-QHCPKHFHSA-N 478.597 2.834 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1689982675 RXGMFGJLXAPDPU-IBGZPJMESA-N 471.608 2.588 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1689993384 BUVOYQIWPUDAMB-WBVHZDCISA-N 469.583 2.696 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1689996991 SXTGMLJCYOJXRA-HOJAQTOUSA-N 493.029 2.688 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCCS1(=O)=O 1690007751 IGZUAHDYBXFUBZ-UHFFFAOYSA-N 483.594 2.921 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690159529 DGBZLDQDDBATEF-IBGZPJMESA-N 469.611 2.920 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690228273 RSFUSUPCOHRPHY-ROUUACIJSA-N 454.413 2.629 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1690464849 LYOXKNWLTPFFLB-LJQANCHMSA-N 451.568 2.743 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1)C1CC1 1690544764 AJEUBNUBARWRAA-UZLBHIALSA-N 496.033 2.887 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(cccc2OC)C1 1690661968 MVGGGALYXSUFFL-UHFFFAOYSA-N 471.359 2.909 30 10 JFEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690683623 PRGXPZRQIIDBNK-QFIPXVFZSA-N 466.586 2.856 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1690694543 QMYIKPJMEYHSRQ-NRFANRHFSA-N 462.554 2.637 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCSC1 1692537198 ARYCTQOANFWMFK-MRXNPFEDSA-N 457.579 2.507 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(Cl)cc1F 1692780353 CGNRCFYSKKWEMJ-ORAYPTAESA-N 454.959 2.859 30 10 JFEE 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C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCNC(=O)C1CC1 1286400918 HHGCBEBJVJJILX-UHFFFAOYSA-N 460.763 2.960 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCOc1ncccc1F 1286419409 WNLQLTSJHKJOEN-UHFFFAOYSA-N 480.931 2.938 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(C)C)c1 1286430937 LIUSWXULJVNCTQ-NRFANRHFSA-N 454.596 2.726 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1286432429 JTTKNZUJKONPFW-LJQANCHMSA-N 457.538 2.717 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(F)ccc1F 1286465829 BUYCDNDMOAQVFI-UHFFFAOYSA-N 467.524 2.865 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1Cc1cccnc1N1CCOCC1 1286466283 FLSBLGJCPIXKIA-UHFFFAOYSA-N 460.582 2.543 30 10 JFEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286508322 KDRLDRPZFSZJAY-FQEVSTJZSA-N 488.621 2.643 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286603708 XGTHRIFGOVJGRV-AWEZNQCLSA-N 481.420 2.918 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCC(=O)N1CCOCC1 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JMSVGJCLNXKGAT-UHFFFAOYSA-N 468.558 2.719 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCN(CC)CC1 1358994678 UBOVCZQLBDGYPT-RUZDIDTESA-N 476.625 2.671 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCSC2)CC1 1359030005 MDVFSZJDIPUMLR-GBXCKJPGSA-N 455.628 2.658 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCC[C@@H](C)C2)CC1 1359037604 PLOCADCVQDJVKV-HXUWFJFHSA-N 455.676 2.901 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359044932 RWSJEFKYPVPKHF-NHCUHLMSSA-N 456.635 2.606 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2CC(F)(F)C2)CC1 1359046271 KXQKHAFXOISFBQ-UHFFFAOYSA-N 457.525 2.889 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1359048268 KHBBLNYZURTKAH-UHFFFAOYSA-N 480.638 2.588 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359048446 QXPLJIWILAJAMB-GOSISDBHSA-N 450.572 2.638 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1359227307 YGBPYVDOKWXSNM-MJGOQNOKSA-N 476.622 2.952 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(F)F)CC1 1359291796 BUAVSCDSQGRZRC-HNNXBMFYSA-N 468.936 2.761 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1359303720 YRQVHGMDECGYMG-QFIPXVFZSA-N 453.587 2.770 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(c3ccccc3OC)C2)C1 1359311632 FCMKCBKXEQPDGT-VQTJNVASSA-N 468.602 2.733 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)C1 1359315208 PUIFEVCWDRTQST-DEOSSOPVSA-N 463.630 2.872 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)C1 1359320167 MTUMZASUOMZKMA-SLFFLAALSA-N 477.606 2.589 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)c2cccc(Br)c2)ccc1F 1448330575 DMUZLOGYCIXDHZ-INIZCTEOSA-N 457.321 2.516 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@](C)(CO)OC)c1 1452656870 RHVYOQFYWMKLDD-NRFANRHFSA-N 452.960 2.849 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc3ccc(Br)cc3nc2Cl)C1=O 1461757544 JKUDJJCSJSVRDC-UHFFFAOYSA-N 451.664 2.566 30 10 JFEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1466295766 DYQUFLSJNKPOHZ-UHFFFAOYSA-N 457.556 2.664 30 10 JFEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)c1 1476190848 RNAHEXHQZVVSIK-UHFFFAOYSA-N 458.540 2.514 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)COC 1497096477 CWKFSXSCSWBPIK-UWJYYQICSA-N 454.575 2.929 30 10 JFEE CCc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@H](C)N(C)C)cc1 1497957218 CPBIQGWBPHUFNQ-GOSISDBHSA-N 461.618 2.698 30 10 JFEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1500711043 BPLBZNDCFAXUNN-FQEVSTJZSA-N 470.643 2.952 30 10 JFEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 1505196918 GVQBGBSNKWZNHH-LJQANCHMSA-N 454.600 2.977 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1507556540 JANAEXXFQXWBDT-VQIMIIECSA-N 466.007 2.923 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1507625892 LNWQEIARSVUZTK-FCHUYYIVSA-N 469.655 2.931 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(c2ccccc2)CCOCC1 1507702340 JCIIDPJMLHOVMP-UHFFFAOYSA-N 474.565 2.760 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(I)cc1 1507711143 OPXQSZHJANLFBD-QGZVFWFLSA-N 480.350 2.911 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCN2CCCC[C@H]2C)CC1 1507719666 PIXHADFYRRJHGB-ZEQKJWHPSA-N 472.678 2.729 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)[C@@H](C)CCC)CC1 1507726925 FHJBAHLHBDEVEE-FQEVSTJZSA-N 461.614 2.658 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1507800969 QPCNCGCEIPEHKE-XCJLJZCSSA-N 488.633 2.904 30 10 JFEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507847697 PQPWOQAHUQSLAO-QPPBQGQZSA-N 472.678 2.982 30 10 JFEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1)c1ccccc1 1507853217 BFYMFXOYFVQPIT-HNNXBMFYSA-N 495.531 2.837 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1507928512 KDRJTVQVPPWKJU-TYPHKJRUSA-N 487.626 2.817 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(CCC)C(=O)C1 1507940298 YQWUACFUWRNVCE-UHFFFAOYSA-N 473.647 2.962 30 10 JFEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507956821 SMHOSSHNGFMXGD-JOCHJYFZSA-N 452.603 2.875 30 10 JFEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1507961715 DAJMOFWZQFINHC-HXUWFJFHSA-N 457.550 2.535 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1508047389 CGGVAWBUEFZARN-HNNXBMFYSA-N 456.572 2.858 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508065496 DJKVDVRRZGJTCI-KRWDZBQOSA-N 451.980 2.701 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1508103165 FOZAXLDAXUUJQG-HXUWFJFHSA-N 469.586 2.517 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCC(=O)N2)C1 1508132151 RLZUIGPNEXAKQF-AEFFLSMTSA-N 476.375 2.680 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H](C)C(=O)NC 1508133023 BKJPUGQDPOYPRC-JKSUJKDBSA-N 479.672 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1508145188 KCIWRPSKONQSLN-IBGZPJMESA-N 476.006 2.556 30 10 JFEE CC(C)(CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508719731 ADDLFSPXQGCIBQ-OAQYLSRUSA-N 470.643 2.952 30 10 JFEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1518590529 CNBQNPIKEIBDNN-HXUWFJFHSA-N 473.599 2.701 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)C[C@H]1C 1519205289 CCAGIJGTSZAWSF-HXUWFJFHSA-N 479.629 2.813 30 10 JFEE CC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1cccc(Br)c1 1521475182 CGKMZDQXCAVFKP-RTWAWAEBSA-N 455.356 2.863 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)c1 1534302834 FPYQWTODKMOPPI-UHFFFAOYSA-N 459.593 2.861 30 10 JFEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539108832 FKFKPBRZIKNKMN-UHFFFAOYSA-N 456.554 2.610 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539204754 CXXRRDHRWNCHIY-HXUWFJFHSA-N 472.611 2.787 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539401067 RIBQFAAIAPJRDB-UHFFFAOYSA-N 475.977 2.978 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](COC)OC)CC1 1539430422 JTXUIJXYXWPKQS-HSZRJFAPSA-N 462.598 2.769 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(NC(C)=O)c2)CC1 1539434366 JPVRZJKNURKYSB-UHFFFAOYSA-N 482.386 2.798 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)CN2CCCC2)CC1 1539454656 WWXPONSGCAVWHK-JOCHJYFZSA-N 450.631 2.559 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1539490491 WMQBZMVPDHSFCJ-HXUWFJFHSA-N 489.523 2.754 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539510031 DEHJHGGOAZNPKQ-QGZVFWFLSA-N 479.610 2.653 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1539526514 LJFBIKMWXKLYEL-UHFFFAOYSA-N 453.612 2.981 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1539555834 CUWFPKDMHUBADD-NFBKMPQASA-N 458.584 2.994 30 10 JFEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539578910 FEIHHJZTDJGFNC-MAUKXSAKSA-N 494.390 2.677 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H](C)C(=O)NC 1539579941 FBLVECLGVHQBGX-LBPRGKRZSA-N 452.353 2.689 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(O)c1 1539641828 GFXSUYHDGQDQLX-FDDCHVKYSA-N 455.559 2.732 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1539803175 GJJNCRZELINTLC-YOEHRIQHSA-N 457.959 2.700 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)c(F)c2F)CC1 1539890685 RZRJJLIGPNJUDM-SFHVURJKSA-N 499.559 2.673 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539968401 ZHMIVFMRAXIIRX-SJORKVTESA-N 453.609 2.640 30 10 JFEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540020780 MULGDOOZMJZMSS-FUHWJXTLSA-N 460.966 2.878 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 1540122518 WHOTTXZLQUWDTI-UHFFFAOYSA-N 471.613 2.825 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccsc1 1540198413 IYUWBLGTDDTDCL-DEOSSOPVSA-N 480.594 2.800 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1540875041 ZWDOCLHRQAJGAA-LJQANCHMSA-N 481.557 2.552 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(C)C)C1 1540898357 IHHRNLSULOHESJ-NRFANRHFSA-N 470.599 2.797 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1540902135 BHCALNODQSULTB-ZWKOTPCHSA-N 465.645 2.922 30 10 JFEE CC(C)(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCCS1(=O)=O 1541175730 BNZJLHFCULJDNK-UHFFFAOYSA-N 486.642 2.822 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCCN(c4cc(CC)ncn4)C3)ccc2c1=O 1543089464 OTKLCVBPRYVBJU-KRWDZBQOSA-N 450.568 2.622 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 1544571448 HLPFBCPYUGJOOI-AWEZNQCLSA-N 452.316 2.647 30 10 JFEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 1554891773 IFNZKDIKUPLARC-WIOPSUGQSA-N 470.593 2.871 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1557485940 KAIZYMPSQDHJOJ-KPFFTGBYSA-N 459.591 2.531 30 10 JFEE C#CC1(O)CCN(CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OC(C)(C)C)CC1 1560026968 MEVVHIKBYWFSLJ-UHFFFAOYSA-N 450.557 2.587 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)c1 1587693668 VKZGMULQJJYPFP-GOSISDBHSA-N 483.619 2.655 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1587984419 AXIGXGCSRDQGGY-IBGZPJMESA-N 487.626 2.914 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588041252 VZFMZMDMWKSHOV-VGSWGCGISA-N 478.018 2.561 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588059083 JAMSTRRAMUGJJM-SQJMNOBHSA-N 488.629 2.966 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1cnn(CCOC)c1 1588117817 ROZRECHOGLWRNP-UHFFFAOYSA-N 453.344 2.672 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1588162155 KRNQNSWUGKWBGO-IBGZPJMESA-N 456.472 2.686 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCOCC)CC2)CC1 1588908340 PLNKZSBMYNTOLP-UHFFFAOYSA-N 460.582 2.989 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1589036338 CVDDTPZUJKGLLD-GAJHUEQPSA-N 458.584 2.713 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1589068455 BWYYPZACHYTULL-PKOBYXMFSA-N 481.043 2.778 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1593635766 ANQWAJSIBNJMRX-HXUWFJFHSA-N 492.665 2.957 30 10 JFEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1593666599 KCQAYTALCNWVPC-UHFFFAOYSA-N 455.529 2.807 30 10 JFEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1593818858 XPYUPDPZKDJMTK-INIZCTEOSA-N 451.930 2.856 30 10 JFEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594572493 CPCLSRKHBUTQEV-INIZCTEOSA-N 476.379 2.865 30 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C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595476756 NFABXQJZRMXXCO-UFYCRDLUSA-N 466.586 2.585 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C(C)C)C1 1595506597 GHFRCAMQLODNFD-SFHVURJKSA-N 478.391 2.880 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595523319 TUACKXHWHGNIBR-UHFFFAOYSA-N 454.550 2.615 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1595593753 IOVMRQXBCUEFSP-MSOLQXFVSA-N 458.632 2.800 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1595713504 AGUMUGVHKTXFQG-SJORKVTESA-N 451.449 2.957 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCSC)C1 1595715305 VCAXXKHFVCOZPM-MRXNPFEDSA-N 450.634 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1595797413 FYIOSDQHMUNOOO-FGZHOGPDSA-N 469.611 2.714 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1595798645 ROZOUHBOFCLBSC-DSKINZAPSA-N 460.600 2.979 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1595884883 WBFNYQLGBZWJPX-LSDHHAIUSA-N 468.567 2.647 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1616472742 BNRITVVTZCPDKF-QHCPKHFHSA-N 468.489 2.721 30 10 JFEE C[C@H](CC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1633138402 CZMQBDHHOUTUFU-IAGOWNOFSA-N 456.568 2.536 30 10 JFEE C#CCN(C(=O)c1cnc2nc(O)nc(O)c2c1)[C@H]1CCOc2ccc(Br)cc21 1633713388 JZUJPLKPUMURJX-HNNXBMFYSA-N 455.268 2.798 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1633956456 NZUJEQLXQNAJJN-HNNXBMFYSA-N 452.017 2.731 30 10 JFEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1643806850 DLKGAESBBPZHMN-QFIPXVFZSA-N 451.477 2.714 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1689836137 YWSGUDQWUHBTCV-LTMIRXACSA-N 458.584 2.535 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1OC)N1CCCC1 1689860616 DPIQVHHRYQSUAC-CTNGQTDRSA-N 450.587 2.704 30 10 JFEE C#CCCCCn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OCC)CCOC1 1689906990 XOPOXWFLJYITSD-RDPSFJRHSA-N 453.591 2.629 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1689949191 UCEJZLLVWDAANX-MSOLQXFVSA-N 457.648 2.736 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(F)ccc1OC 1689965976 HZCOHVLRIRLIPD-SFHVURJKSA-N 459.522 2.852 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1689981930 DPPHKAZXSLLZEL-ZIAGYGMSSA-N 485.429 2.575 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1689991768 CDZJKOJDRIGVNP-NRFANRHFSA-N 469.998 2.787 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNC(=O)OC(C)(C)C)CC1 1690114908 KZXQWXLRUXFJMY-UHFFFAOYSA-N 476.585 2.615 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(=O)Nc2c(C)cccc2C)CC1 1690142911 XVGRWPLPMSPALS-UHFFFAOYSA-N 473.581 2.505 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2ccccc2OC)CC1 1690148433 GZRPCEUOCGJPHO-FQEVSTJZSA-N 488.592 2.706 30 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JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301492223 BEXBRITVMQBJBU-UHFFFAOYSA-N 493.612 2.994 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1301500896 QPCDJORIKLFGGF-LJQANCHMSA-N 482.585 2.994 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2cccc(Br)c2C1 1301520078 BOSHICKGXBFVKW-KXBFYZLASA-N 476.375 2.587 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2C(F)(F)F)C1 1301537584 CEUWUGYZOARUGV-ZBFHGGJFSA-N 473.521 2.737 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301609126 CUFBXJAJVANMMY-VQIMIIECSA-N 454.600 2.972 30 10 JFEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1303582752 HHYKHLMNEUAOPY-OAQYLSRUSA-N 484.626 2.698 30 10 JFEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1 1304909066 DBRINMAQMIAVBA-GOSISDBHSA-N 452.559 2.602 30 10 JFEE N#Cc1ccc(OC2CCC(NC(=O)NCC(=O)Nc3ccc(-n4cccn4)cc3)CC2)nc1 1312297933 GMDZTEKSQJFOTR-UHFFFAOYSA-N 459.510 2.767 30 10 JFEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)CN2CCOCC2)c2ccccc2c1=O 1313451808 AZTAXNJKQNGMBI-PMACEKPBSA-N 492.628 2.629 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1358870259 IZMQUHYGRGYYOR-QRVBRYPASA-N 473.021 2.819 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCC[C@H]2C)c1 1358904056 SFNVNWNYAJBBNX-CARROKOZSA-N 481.597 2.609 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)N1CCOCC1 1358948281 YUFLSXQAZKMGCT-NHCUHLMSSA-N 474.650 2.819 30 10 JFEE C#CCN(c1nnc(-c2cnn(C)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1358960443 DYJGAZQSXVVMLE-BRWVUGGUSA-N 470.521 2.599 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1358994446 NKMUBXZDUCRKGT-MSOLQXFVSA-N 460.987 2.764 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nccc(C(F)F)n1 1358997384 QIQGNWNQOXOJLZ-UHFFFAOYSA-N 455.494 2.508 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1NC(=O)CC1(C)C 1359019921 MFBXGQWENBMAHP-QGZVFWFLSA-N 478.366 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(OC(F)F)c2)CC1 1359042175 VQJAJNIAGJULKP-UHFFFAOYSA-N 496.518 2.964 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)C(C)=O)CC1 1359052467 GGAWBXAXEHGFHL-UHFFFAOYSA-N 455.584 2.530 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1359056341 CUCMPZQQKDLRIG-RTWAWAEBSA-N 474.652 2.590 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359094989 ITZGVTREAOBXCP-DXIQSLLYSA-N 490.626 2.957 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359191202 QTVIAOPPVUMCSO-NRFANRHFSA-N 485.677 2.526 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359294899 INYNCYDAKNBTBD-QGZVFWFLSA-N 487.402 2.519 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC(C)(C)C1 1359301138 STOXGXUKXWJIQW-MSOLQXFVSA-N 476.622 2.761 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=O)N(C)C)C1 1359316975 ZSXMGGVXGAUTDL-LJQANCHMSA-N 451.527 2.987 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1359320119 MANKASHVLISBFP-WOJBJXKFSA-N 460.600 2.600 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 1446633460 OZWMCRUNAUEERU-UHFFFAOYSA-N 455.536 2.887 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1 1449899663 NSCQGPMJOUGANB-UXHICEINSA-N 476.551 2.977 30 10 JFEE CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1465939873 DQETWFKFJQYGDP-QGZVFWFLSA-N 456.572 2.525 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)c1 1466152059 YORAHAOMQRKYDI-FGZHOGPDSA-N 453.568 2.849 30 10 JFEE C#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1470231340 SECNWRZURVOYHO-OAQYLSRUSA-N 454.571 2.669 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(CC)c2-c2ccc3c(c2)OCO3)c1 1472463418 OHONOGDCFQYBAF-UHFFFAOYSA-N 452.492 2.532 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1Br 1474859070 ACWCOTQPUSNGKF-UHFFFAOYSA-N 454.371 2.919 30 10 JFEE C[C@@H]1CCCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 1493687376 BWFFDFDMKDJLQK-WOJBJXKFSA-N 479.629 2.906 30 10 JFEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1494621097 FBUKKOMWPYVKPC-SFHVURJKSA-N 456.616 2.517 30 10 JFEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1503562275 GYKYMQJWKZHVGW-UHFFFAOYSA-N 452.559 2.637 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1507572879 ZWZQNUNKCLZORB-SANMLTNESA-N 464.614 2.701 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507617886 CZHGQPIEKTYIJQ-LEWJYISDSA-N 471.627 2.748 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507634289 JJNYCELOHXXAMN-GGAORHGYSA-N 499.681 2.625 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1507677270 XJYXUECESVZDDF-ACRUOGEOSA-N 471.602 2.865 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507707163 TWSODIWVDHLVBL-HXUWFJFHSA-N 476.581 2.708 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)COCC)CC1 1507715457 BHDKOZPMZFSEEU-UHFFFAOYSA-N 452.603 2.965 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1507722382 VPEALPFKUMSFBO-FQEVSTJZSA-N 492.628 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507736576 NRTRKDSBVNFMHP-DEOSSOPVSA-N 498.509 2.756 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)N[C@H](C)CC)CC1 1507739779 FDYKUBYUSSZOHF-HXUWFJFHSA-N 489.624 2.552 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1507841422 ZMZIQTLNYGOBNH-UHFFFAOYSA-N 464.574 2.838 30 10 JFEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507959640 ODMAKQGJLKUTBD-HXUWFJFHSA-N 452.559 2.613 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1508074985 TYXAITIZOZLMRH-GOSISDBHSA-N 451.275 2.591 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCN(CCC)C(=O)C2)cc1 1508096248 DLFQPDOTLNJYLX-UHFFFAOYSA-N 489.580 2.987 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC3CCOCC3)CC2)cc1 1508097101 MLNAJBHIJPTPMB-UHFFFAOYSA-N 482.629 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508142695 GCIWJPWOTDIADS-FUHWJXTLSA-N 488.532 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2ccco2)C1 1508142802 BMAXWUYEZAPQJW-NRFANRHFSA-N 456.568 2.949 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1508212671 DURYTEOHFHMVKZ-NRFANRHFSA-N 464.618 2.718 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)ccc1F 1526910675 XMLJYZPDTXKOHZ-UHFFFAOYSA-N 459.543 2.553 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C1=O 1538372342 JRQSCZRRVAAIDL-CYBMUJFWSA-N 451.323 2.744 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cnc2c(Cl)cnn2c1 1538983009 MSQRHDLJBLCUEQ-OAHLLOKOSA-N 483.985 2.745 30 10 JFEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539076587 SUBCPAGRJDSICE-QFIPXVFZSA-N 478.641 2.814 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539218925 FXKWPHCCRYRDOT-ZYKOEDHHSA-N 458.628 2.601 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539219733 MFMFMYJTBUYOMH-KZNAEPCWSA-N 478.565 2.589 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1539226437 XYIPBLOWBZAGFL-JOCHJYFZSA-N 479.606 2.726 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539305857 RKYVPAGJCIVGPZ-DEOSSOPVSA-N 460.626 2.913 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(C)noc1C 1539392763 UFHCRDNFUNAVIN-IBGZPJMESA-N 471.558 2.807 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(CS(C)(=O)=O)cc1 1539534116 ZDXRPGKTOTWXCH-XMMPIXPASA-N 471.627 2.782 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OCC(N)=O)CC1 1539728005 AYIZKWPCXSERQE-UHFFFAOYSA-N 478.391 2.771 30 10 JFEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1539758290 FYTSKIIBEMLVIZ-DVECYGJZSA-N 458.559 2.843 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1539772010 CRKJRDSEYCIHFZ-GOSISDBHSA-N 487.070 2.780 30 10 JFEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1539810016 HPSCREHJLGXDRZ-UHFFFAOYSA-N 458.010 2.587 30 10 JFEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN(CC)S(C)(=O)=O)CC1 1539846931 ZYVSZRRLAMOLSB-UHFFFAOYSA-N 453.559 2.975 30 10 JFEE CC(C)(C)c1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)s1 1541145398 BZKWMTFRZJFYGG-OAQYLSRUSA-N 489.602 2.988 30 10 JFEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1541771843 HUPQZWQFEBJDOU-IBGZPJMESA-N 469.615 2.911 30 10 JFEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1547250208 BFHQATIXTRVEFF-RXVVDRJESA-N 465.602 2.864 30 10 JFEE CCn1cc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)CCOC)CC2)cn1 1547607582 CMXHEQZYIPPXBO-UHFFFAOYSA-N 462.602 2.995 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1705650355 PNEFNLMQSMLVQQ-IDISGSTGSA-N 477.657 2.740 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705657841 SOTBSINQRASGEB-OAHLLOKOSA-N 467.517 2.825 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1705668829 VCISRQGURKYMDU-XPGVTRPJSA-N 457.600 2.813 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)[C@H](CC)C1 1705685312 VMGXTSQELXVAOX-MRXNPFEDSA-N 495.422 2.852 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705685693 HEKLJGQZBZPHQB-IAGOWNOFSA-N 451.369 2.839 30 10 JFEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1705760112 AMORNLSZFOLFQT-UHFFFAOYSA-N 465.023 2.590 30 10 JFEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC(F)(F)F)CC1 1705771384 RFRKWXYOZLSRBI-UHFFFAOYSA-N 450.465 2.941 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1705782150 PSUFHOCWUOLVLA-SFHVURJKSA-N 467.636 2.840 30 10 JFEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1705798036 IWLFJCMBQIBQFD-IBGZPJMESA-N 464.595 2.908 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C 1706743664 DEYPNQJQEIPWFQ-OAHLLOKOSA-N 456.551 2.967 30 10 JFEE CCN(CCCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C#N)c1)S(C)(=O)=O 1710140620 FVKRYYWYNSZVJV-UHFFFAOYSA-N 453.572 2.520 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)cc1OC 1711756506 HFTLNPWXHQXKDI-NXMSCROESA-N 472.565 2.904 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(OC)c(OCC)c(OC)c1 1722294452 WSDNETPUZYTMOS-HNNXBMFYSA-N 467.526 2.928 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 1722310370 VETAWBAZCLKYLU-AZUAARDMSA-N 459.554 2.997 30 10 JFEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)CN1CCOCC1 1722343684 NVRMEOZAPHMODK-HNNXBMFYSA-N 450.356 2.884 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1722364580 ICGAHGUTMYRWCO-OAQYLSRUSA-N 486.667 2.766 30 10 JFEE C#CCN(c1nnc(COCC)n1CCc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722371470 WQFPNRDBBJISIR-QGZVFWFLSA-N 470.517 2.703 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(CC)CC 1722396423 ICWUUCXHLPNVRE-SFTDATJTSA-N 472.634 2.780 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1722416246 KOFSCKHIASPBPM-HSZRJFAPSA-N 460.630 2.810 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccc(C)c2)CC1 1722441367 PDQLOWYDYDSOHH-UHFFFAOYSA-N 464.614 2.713 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(OC)C2CC2)CC1 1722442840 FAQCPLRLOXWHSP-SANMLTNESA-N 481.597 2.743 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722456962 KXENRQBTWMVTRF-HXUWFJFHSA-N 484.645 2.974 30 10 JFEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722519876 SZKYOWGBFMVWJA-UHFFFAOYSA-N 477.382 2.823 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722550059 DIBUEMTTWBBNFO-UXHICEINSA-N 453.031 2.503 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722683761 ZMCQFUIAHRSNBF-SFHVURJKSA-N 488.658 2.760 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722701509 RYVSTRLVVIHGGY-LJQANCHMSA-N 457.522 2.762 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722729660 SUKTWLPTQOJCJI-IBGZPJMESA-N 475.634 2.919 30 10 JFEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C(C)C)N1CCCC1 1723186104 CPKBNHNFUNHRCO-PZJWPPBQSA-N 451.623 2.899 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1740627790 KPLZTISFYGQWRC-HXUWFJFHSA-N 481.603 2.660 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740628115 NNVZTIAKGWYUHR-TZIWHRDSSA-N 472.611 2.607 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(Br)n1 1740637906 IVIZRSSKSJSBKL-UHFFFAOYSA-N 491.397 2.731 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(CC(C)C)c1C 1740652792 NFVFINQXGNFZPJ-UHFFFAOYSA-N 492.653 2.910 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740720682 ITKBTDFJSGNALW-UHFFFAOYSA-N 466.533 2.525 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNS(=O)(=O)CC 1740725037 HIBVXBLTCFJQBC-AUSIDOKSSA-N 459.616 2.966 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1740735264 YGBZRYWCUKCXAL-HXUWFJFHSA-N 451.449 2.536 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740738233 FBPOENFVNCTGAL-DZGCQCFKSA-N 455.357 2.986 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740790434 RYUQKTMFKKIDLL-UHFFFAOYSA-N 491.614 2.517 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740863783 GFWQYURDMQOFFF-ROUUACIJSA-N 464.661 2.876 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740964961 JZSYXILCOXCARP-OAHLLOKOSA-N 463.991 2.915 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740971271 MBMVRIMEHUCBEE-NRFANRHFSA-N 482.610 2.588 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740987204 QPXDGXXXKUYXFH-YSIASYRMSA-N 490.582 2.750 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1 1740997477 ULOZKWJSTYDKFW-UHFFFAOYSA-N 455.426 2.723 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccccc1OC)N1CCCC1 1748771726 NJSDFPNEVAVFSI-PXDATVDWSA-N 453.587 2.845 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748810641 YZEGLCSLCGWFNT-KRWDZBQOSA-N 491.042 2.936 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749020052 KBMUBFSDHYVKLJ-IBGZPJMESA-N 453.616 2.604 30 10 JFEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749027739 UBQIRNDSACIIFP-SJLPKXTDSA-N 493.427 2.743 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1749103416 VSUSQRIFZKTJAS-HOCLYGCPSA-N 484.420 2.926 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749133084 HLGQRZFWKTVJIG-SQJMNOBHSA-N 484.620 2.636 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749134010 SXNLMNAUINWNFU-LRXVAGHRSA-N 494.061 2.974 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CC)C(=O)C1 1749213333 JAZBMRKCNZFUEG-UHFFFAOYSA-N 465.396 2.697 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)C3CCC3)c2)CC1 1749287127 XIIYYIXZOXHWDM-KRWDZBQOSA-N 472.615 2.832 30 10 JFEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749420030 XLGQDDHFFMEBST-SFHVURJKSA-N 463.579 2.681 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1749450457 HXLKNOLSGAQKEK-UHFFFAOYSA-N 467.614 2.989 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CC(F)(F)F 1749494561 TYCPMFKQJTVKCM-HNNXBMFYSA-N 462.517 2.703 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749676850 GEKFABMLLRKOAE-HXUWFJFHSA-N 478.622 2.879 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N2CCOCC2)C1 1749717240 IGHMNSLOKZHODT-FCHUYYIVSA-N 455.603 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1749729554 NDFLLMVVQJOBST-HXUWFJFHSA-N 466.611 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1749732254 ULLBARRPYUDGPD-UHFFFAOYSA-N 487.626 2.508 30 10 JFEE CC(=O)N1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)CC1 1749835742 VZQQIPZTOPVICA-LJQANCHMSA-N 497.600 2.964 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCC 1760117672 RYUCDKJYNQLICP-HSALFYBXSA-N 460.623 2.919 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(NS(C)(=O)=O)CC1 1760146951 BKBZJIXEJCMDJC-UHFFFAOYSA-N 496.431 2.648 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760182336 IPRUKRSGWVILFJ-ROUUACIJSA-N 467.636 2.723 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2c(c1)OCCO2 1760244446 WATHWYWVRCDULC-UHFFFAOYSA-N 486.370 2.952 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2COCC)CC1 1760257173 QIPKMJFGEGOMFC-SANMLTNESA-N 467.614 2.659 30 10 JFEE 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C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705663915 SDJIMVPCGGMDDY-UHFFFAOYSA-N 473.606 2.859 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705697886 YCGITYNCHSXDFX-SIKLNZKXSA-N 489.642 2.795 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1705699824 MBQVXISYSFQWMP-DYXWJJEUSA-N 489.598 2.749 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1705701936 JZNVOJCBGULCFW-LQWHRVPQSA-N 459.595 2.624 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705747088 DZJNPUBMUGJEOF-HNNXBMFYSA-N 471.953 2.507 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOc2ccc(C)cc2)CC1 1705768773 AGLRKTOFMJYGBY-JOCHJYFZSA-N 489.642 2.935 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705786598 SWQFEJYTLIORFK-RDJZCZTQSA-N 493.630 2.561 30 10 JFEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(NC(C)=O)c1 1705883632 PJTHAKKIXBSTSE-UHFFFAOYSA-N 452.515 2.651 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705898414 KYBGSJPGUIRVMF-HNNXBMFYSA-N 473.006 2.635 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c(CC(C)(C)C)nnc2N2CCC(C#N)CC2)s1 1707560446 CHCXFQIQKUZICS-UHFFFAOYSA-N 450.634 2.955 30 10 JFEE Cc1ccccc1-c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)C(C)(C)C 1707649778 HQVOFPOWKICBQE-UHFFFAOYSA-N 489.628 2.656 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nc(C(F)(F)F)cs1 1722345599 HRVPPDSEJPFILX-UHFFFAOYSA-N 498.556 2.983 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCC(C)CC1 1722356647 QVJABLMWRAMRKT-UHFFFAOYSA-N 463.674 2.834 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1722361674 OFKTYYGKQZLKJP-LJQANCHMSA-N 482.654 2.651 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1722361841 QHKIMZXXUGDITG-MRXNPFEDSA-N 474.384 2.711 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722364205 XYQRXXBKSBMSFJ-GOSISDBHSA-N 472.592 2.699 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1722366976 LHUWOEOOVQEIER-PKOBYXMFSA-N 464.538 2.569 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1722367122 VCHWLWXYSAOARD-INIZCTEOSA-N 498.422 2.955 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cccnc1-n1cccn1 1722375599 QIKSBUKNFSOFJZ-UHFFFAOYSA-N 483.532 2.673 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H](C)N1CCCCC1 1722383536 IYOTWOKDFFRRLZ-VXKWHMMOSA-N 484.645 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ccc(Cl)cn1 1722389756 LPZWOECTHDDMNY-UHFFFAOYSA-N 483.981 2.939 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(Br)c1 1722413323 KYNCENBKXATZRV-MRXNPFEDSA-N 481.416 2.654 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722436645 JTQHGMWKIJVLJE-LZCXECNNSA-N 486.661 2.699 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)SC)CC1 1722449484 KIMUZVYSLFOJPO-SFHVURJKSA-N 455.628 2.789 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722495193 QGFDPRUYCPFBOH-VBQJREDUSA-N 463.380 2.684 30 10 JFEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722524703 MILZOPXHNXYERO-UHFFFAOYSA-N 454.619 2.941 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C)c1ccccc1 1722596606 LJXFILNDBLQLNX-PMACEKPBSA-N 459.616 2.501 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722603948 QPBBKQKBNMFHPG-LJQANCHMSA-N 474.631 2.657 30 10 JFEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722683330 NYNBSZGDILBKGV-UHFFFAOYSA-N 452.603 2.910 30 10 JFEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1722684455 SXDKPKDZXGKVIJ-INIZCTEOSA-N 461.496 2.817 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(O)CCN(C)C2)C1 1722716830 ZHHTVMPPEJDUET-HTAPYJJXSA-N 492.418 2.564 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1722727245 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455.607 2.653 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1593695346 DIBCQEFLNCQMEK-TZIWHRDSSA-N 457.575 2.579 30 10 JFEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1593704253 SKIFFCDYNJJXQY-LJQANCHMSA-N 470.599 2.941 30 10 JFEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCCC)CC1 1594241518 SWBASCUWTRNZDE-GOSISDBHSA-N 462.595 2.515 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1594913002 CORZHXCBKYJXGN-OAHLLOKOSA-N 478.391 2.833 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1595556484 VCLZNYYLEGNXKW-IBGZPJMESA-N 473.021 2.813 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1595577226 LVBDZWVWGNIOEP-SFHVURJKSA-N 480.535 2.849 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2cccc(OC)c2)C1 1595705561 AZVHXQGXWPNRAO-HXUWFJFHSA-N 450.543 2.504 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1595805657 ROGCGLHRGMGWDW-HXUWFJFHSA-N 464.035 2.798 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC2(CCCC2)C1 1595823992 UVYZWRZXMKPIIV-UHFFFAOYSA-N 474.627 2.822 30 10 JFEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1614950784 FKHHWFHVLAGRBR-GGAORHGYSA-N 496.612 2.523 30 10 JFEE CCOc1c(OC)cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cc1OC 1616300037 CMJOWCAWGSIKEA-UHFFFAOYSA-N 468.558 2.718 30 10 JFEE CN(C)C(=O)CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1617586906 DZZADKYUUUESIZ-LEWJYISDSA-N 452.559 2.838 30 10 JFEE C#C[C@@H]1COCCN1CC(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C(=O)OCC 1618446627 OJOAYJBEODFCBT-MRXNPFEDSA-N 458.536 2.882 30 10 JFEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 1619233098 GJPWDOBJIJNUFS-DEOSSOPVSA-N 493.656 2.755 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(N(C)Cc3ccccc3)CCOCC2)c1 1622535481 WZTPQVXDLARAHU-UHFFFAOYSA-N 457.596 2.562 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)ccc1F 1632470886 BYEDLWHNHHJRQA-UHFFFAOYSA-N 455.552 2.857 30 10 JFEE C=CCn1c(SCC(=O)N[C@H](CO)CN2CCCCC2)nnc1-c1ccc(Cl)cc1 1636341368 JVSCRSHIKUTYOX-SFHVURJKSA-N 450.008 2.840 30 10 JFEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCN(C(=O)OCC)CC1 1643749347 IJYCELYQGZRWGL-UHFFFAOYSA-N 459.572 2.872 30 10 JFEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1656340275 BVOFEUCQWGKWKQ-HXUWFJFHSA-N 454.600 2.828 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1689826795 UXQKMRHFZJCHKD-BTCOZLQPSA-N 457.962 2.658 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1690031217 CGBLTHJRVYHPCE-HXUWFJFHSA-N 483.576 2.965 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CCC1 1690032623 FZUMFZKFDQPPJT-SFHVURJKSA-N 458.559 2.987 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1690033506 ZFNJAAGLGALVHD-QFIPXVFZSA-N 485.679 2.662 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1690048976 VFROVDHBBNTJQP-IBGZPJMESA-N 487.992 2.600 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690115757 SAWSKKCWQDOSGP-GOSISDBHSA-N 461.397 2.922 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(N)=O)CC1 1690156141 SDFHTMCSRPWJJN-UHFFFAOYSA-N 454.600 2.605 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1 1690239191 SSTODMWQOKCKQZ-FPOVZHCZSA-N 457.600 2.943 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C(C)C 1690245792 NAHZDMWOGYKDDG-GIVPXCGWSA-N 493.630 2.600 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)COC)CC1 1690254110 XNFBEBKLXXFTHI-SQJMNOBHSA-N 483.613 2.696 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1690485060 KLZUVQSJAFSXRV-GOSISDBHSA-N 453.996 2.867 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690681279 LSPBXQKTQJPPOP-UHFFFAOYSA-N 487.626 2.531 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1690724610 SGNDBTBQURPRGV-TZIWHRDSSA-N 459.616 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1690731636 OYUFYFMCWNHPSA-LEWJYISDSA-N 460.600 2.568 30 10 JFEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)CC1 1690870098 BWQXQPNMWHFBNE-FQEVSTJZSA-N 479.629 2.765 30 10 JFEE Cc1nccn1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1693386919 GLHHHRWDBSNDJD-OAHLLOKOSA-N 460.311 2.781 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)C1 1695408529 HNQXIUPHWCBJLC-OFNKIYASSA-N 479.629 2.528 30 10 JFEE CCNC(=O)C1(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1695919911 GVVJUCBDCBAQGK-HXUWFJFHSA-N 452.559 2.509 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)C1 1695976917 CCSWGTGZJCCWLF-NJYVYQBISA-N 468.558 2.583 30 10 JFEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1 1696461236 HCEWITWHEYRQHD-INIZCTEOSA-N 454.556 2.528 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N(C)C1CCCCC1 1698060541 CALPLKOGPHFXJN-JOCHJYFZSA-N 482.585 2.948 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](CC(C)C)N(C)C)c1 1705505117 IVVQHIUHTAIBCT-NRFANRHFSA-N 460.586 2.768 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1705506947 MTFCDELCHAATKD-HSZRJFAPSA-N 485.592 2.579 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705508182 KKALOSWSUYXDFW-NRFANRHFSA-N 481.988 2.976 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](COc2ccccc2)C1 1705538323 KFQJCJSFVWVVPC-FQEVSTJZSA-N 465.579 2.967 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1705569899 LCMLJDMNHSCDQH-IBGZPJMESA-N 476.668 2.840 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[C@@H]1CCCCO1 1705576706 POGFEJSILQINPD-NRFANRHFSA-N 469.611 2.618 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1705581240 YTZUWJUDWBFXDI-UHFFFAOYSA-N 485.592 2.540 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705635471 ZLIQPMXLUYRDFB-RPBOFIJWSA-N 464.658 2.932 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1705645811 FXHQKGRDOQWKCP-WAIKUNEKSA-N 456.978 2.510 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCCCC2)CC1 1705651773 HIVZUVTZZHESHB-UHFFFAOYSA-N 467.643 2.994 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCOC[C@H]2C)CC1 1705652683 IRIVNNVNXMBHQL-ZHHKINOHSA-N 471.646 2.835 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705664591 UKCJZZWSQIJNRZ-QFIPXVFZSA-N 469.655 2.999 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705687477 FEUVUECPCSABOZ-OLZOCXBDSA-N 487.342 2.637 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705776180 ZUFAUMZYXZZGDW-UHFFFAOYSA-N 451.637 2.956 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1705819986 YGRMBDWGNSTDDU-NRSPTQNISA-N 459.616 2.960 30 10 JFEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705824035 DMALSUZNKWXOQA-IFMALSPDSA-N 458.651 2.907 30 10 JFEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705825857 FUMUHRICSWEIQL-MAUKXSAKSA-N 478.479 2.670 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705883912 AEXLKCOZNKAZAO-ANULTFPQSA-N 491.633 2.835 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](NC(=O)CC)C2)cc1 1705909594 BCRYMGMPTDOTDN-IBGZPJMESA-N 454.575 2.524 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(I)cc2)C1 1705921849 ALWALVWGZCBPCL-IRXDYDNUSA-N 493.349 2.663 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705933372 FFEKKKKRRRYUSK-SFHVURJKSA-N 473.643 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1705937651 ADIRYXGEMUPSFH-FQEVSTJZSA-N 477.606 2.662 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1705946788 QXBBTXDHKGUUAP-NHCUHLMSSA-N 491.683 2.599 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)C1 1706517458 FQVZYESCDRTJSW-FQEVSTJZSA-N 460.529 2.931 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(c2ccc(F)cc2F)CC1 1706847989 BCBNAFRJAFMYQC-ZIAGYGMSSA-N 452.531 2.637 30 10 JFEE CC[C@@H](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1708378600 CJADEPSUABVZGG-OFNKIYASSA-N 479.629 2.655 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CC1 1710888903 HSDAVONUPIUFJF-UHFFFAOYSA-N 485.639 2.847 30 10 JFEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)ccn1 1710926994 CZJCYAWMOYQVJU-UHFFFAOYSA-N 490.637 2.582 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CCOC)CCC2)CC1 1711355650 GRWKGYUFKMIABO-UHFFFAOYSA-N 466.586 2.898 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCC(O)CC2)c1 1711699356 HDLVXGWQTQFUIF-RUZDIDTESA-N 468.602 2.939 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN1CCN(CC)CC1 1722275927 DWQKQROMHKWZNV-KRWDZBQOSA-N 462.440 2.911 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1N(C)CCCC1(C)C 1722291218 DDCJEHNZYUZBTB-PKOBYXMFSA-N 457.648 2.817 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(SC)CCOCC1 1722398341 WEPVSGMUGBKVMU-UHFFFAOYSA-N 462.579 2.969 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@](C)(O)CCOC)CC1 1722434034 KNOQFPZSWIOMEO-XMMPIXPASA-N 457.644 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2ncn(C)n2)CC1 1722443199 PFRVOWOGFLZWMS-UHFFFAOYSA-N 490.612 2.513 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CSC)c2)CC1 1722445898 DSMYWHXECAXSAK-UHFFFAOYSA-N 463.611 2.556 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722453698 CJYJNKMZDARUPC-IBGZPJMESA-N 473.668 2.983 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722456187 UCRCIAJJQHUSOR-UHFFFAOYSA-N 454.585 2.782 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OCC(N)=O)CC1 1722495992 UWMXSGWXWREYLV-DYESRHJHSA-N 491.539 2.998 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1722527169 AZBWKLHEJOHHGB-UHFFFAOYSA-N 468.602 2.750 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C#N)CC1 1722530476 FYWXTOVMYIEYCO-UHFFFAOYSA-N 472.615 2.918 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722533845 CQFWHKVEGFWWJW-UHFFFAOYSA-N 468.631 2.987 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(OC)C1 1722545487 GKYWGCLIEDJBMM-HXUWFJFHSA-N 453.996 2.953 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(COC)CCCC2)CC1 1722583331 SHFBCOSHRKDVSD-FQEVSTJZSA-N 481.663 2.610 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722682208 VSKAFGKLMFHOON-DLBZAZTESA-N 453.547 2.851 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722683760 ZMCQFUIAHRSNBF-GOSISDBHSA-N 488.658 2.760 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722696006 XLVIJVQINMPCEY-UHFFFAOYSA-N 472.018 2.988 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1722697375 IPXRVYHSVDXBCF-JOCHJYFZSA-N 450.518 2.731 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCOCC3)C2)cc1 1722702108 DNKFXWFXZMVTMD-SFHVURJKSA-N 475.615 2.508 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C)CC2)cc1 1722705479 ZFQYPTQBSWIOAN-NRFANRHFSA-N 489.642 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1722737258 YJEBRGISJMQTHS-SJORKVTESA-N 466.608 2.547 30 10 JFEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)CC1 1722774472 AFWGRRWMTRQWNV-UHFFFAOYSA-N 495.971 2.915 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCN(C)C1 1722868370 BQZVCENUKWGYRF-VBKZILBWSA-N 453.374 2.826 30 10 JFEE CC(C)N(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1723514306 CSLSASFWCSXHIX-UQBPGWFLSA-N 452.603 2.913 30 10 JFEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1730438227 FZRHIWVUVRFZBF-JOCHJYFZSA-N 479.585 2.812 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC(=O)N(CCOC)C1 1740541738 GTSOKIBPLQRKDL-HUUCEWRRSA-N 478.366 2.800 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H](C)N2CCC[C@@H](C)C2)c1 1740565060 IKGWSBXBSGEIRA-UXHICEINSA-N 452.603 2.991 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1740573439 CSBGCLCCRUDXIN-KRWDZBQOSA-N 463.554 2.589 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740595963 OBQCQXBASBSJNI-SQJMNOBHSA-N 494.640 2.658 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622188 VXCBCZFESKVVMZ-IBGZPJMESA-N 455.609 2.833 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCc1nnc(C)s1 1740675856 KEHDKVFEDDNVKK-UHFFFAOYSA-N 455.563 2.988 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CCCCC2)CC1 1740696249 PFOZBNNRIIDDIK-OAQYLSRUSA-N 472.634 2.922 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1740701091 UFKMULCMVORFPN-UVPKRVSESA-N 474.650 2.601 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)NC)CC1 1740709366 MKJFUWMFWUIFFR-MRXNPFEDSA-N 463.007 2.899 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 1740760908 LMCGJSZZTJSMHC-JBACZVJFSA-N 475.615 2.669 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1740761059 LXMMSPHZCZBLMM-KRQVXIAISA-N 475.615 2.608 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740761798 PGTYQUACDFFTFV-GNXKAVGDSA-N 474.650 2.538 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740779788 ZYYDDYYNKOBCNJ-UHFFFAOYSA-N 462.377 2.932 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740963329 HUNNGSURQXGBAV-UHFFFAOYSA-N 495.653 2.863 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(Cl)c2)C1 1740980405 KBSHPUPENDOHNE-WBVHZDCISA-N 484.981 2.833 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCOC2=O)cc1 1744050424 FYDOCGZSBRDVRS-QHCPKHFHSA-N 469.521 2.643 30 10 JFEE CCSc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)ccn1 1747475780 AGBSGLDMXQTGDI-SFHVURJKSA-N 460.629 2.866 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1748685565 AUUDZFPBHCVDDB-FDDCHVKYSA-N 459.591 2.662 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CC(=O)NC)CC1 1748734548 HZWAXNGOIDYOJD-UHFFFAOYSA-N 455.559 2.737 30 10 JFEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804541 ISWTYQQEALHWOC-KJWPAHLWSA-N 486.638 2.751 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1748810235 UUEHJJMXOPFLHN-GOSISDBHSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748814851 KEADRIURILFSFW-FYYLOGMGSA-N 492.649 2.796 30 10 JFEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1Br 1748827419 HABXLKDARCAOKI-HXUWFJFHSA-N 477.338 2.662 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccnc1OCCOC 1748912303 BULXZZZLDTTYSA-UHFFFAOYSA-N 473.375 2.974 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1748944955 JVNJHMKGVDYVGE-NRFANRHFSA-N 466.561 2.801 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2ccn(C)n2)CC1 1748978453 OSKTYAKMILBKJV-FQEVSTJZSA-N 463.586 2.548 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCCn2ccnc2C)CC1 1749016970 RJKPABRLTJJOHH-UHFFFAOYSA-N 477.588 2.959 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)nc2)CC1 1749019081 KHEQHWFRXKJJII-FGZHOGPDSA-N 464.614 2.914 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749038049 NHEYMHGVTXYAIL-QHCPKHFHSA-N 472.565 2.999 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1749130572 MFTITZVQTSZKOZ-FKBYEOEOSA-N 495.690 2.794 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1749343288 ZHXWGIVUASXXMX-NRFANRHFSA-N 471.627 2.771 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749651542 XPOUISKOWVCXDG-SFHVURJKSA-N 486.592 2.943 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749652816 UBELWTASGWNYQK-QZTJIDSGSA-N 472.565 2.600 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749679835 BPXCFHCENIOJNX-QGZVFWFLSA-N 485.589 2.638 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1749708881 MPLAYVUUBGGKJL-CEXWTWQISA-N 473.540 2.954 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1749714408 JKVJGGJCNKLNFL-APYJYERMSA-N 451.596 2.972 30 10 JFEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCCS1(=O)=O 1751253915 GUSONBWEKIBTSX-VGSWGCGISA-N 476.578 2.723 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760180985 NXARTZZDDWSKHT-QZTJIDSGSA-N 458.584 2.635 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1760181650 ZFIUMIWQUOLIRN-INIZCTEOSA-N 450.511 2.973 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1760191552 JLQAAKPBESLEMT-PMACEKPBSA-N 474.652 2.854 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCC2(F)F)CC1 1760273458 VPMYPXNSRUVPPS-UFYCRDLUSA-N 479.572 2.793 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760277756 SFLGVEYRKOTFBT-LJQANCHMSA-N 469.611 2.920 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760296141 NHTOBMQETOSFNM-XMSQKQJNSA-N 462.019 2.796 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760319127 RABVCTFVDCOLJB-RBBKRZOGSA-N 489.642 2.701 30 10 JFEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760382176 KRFKIPQGQWUIFU-ROUUACIJSA-N 463.579 2.995 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1760440646 NWUYWIYTHAUKHN-DLBZAZTESA-N 463.570 2.857 30 10 JFEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760446135 IJBSYPUCHJGMMW-OAQYLSRUSA-N 466.586 2.867 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F)C1CC1 1760476966 LYSLIWRLERWDTN-IBGZPJMESA-N 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492.550 2.923 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359216135 PQRGTJRVXWVYJP-FGTMMUONSA-N 467.636 2.886 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(CCC)C(=O)C1 1359291785 BOXNQIHTQGTIMJ-QGZVFWFLSA-N 474.993 2.822 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359301507 AJYWVRZIJYQLSD-KRWDZBQOSA-N 472.565 2.756 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359304465 YRRWMFCYBOYTGH-BCHFMIIMSA-N 483.613 2.841 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncccc2N(C)C)C1 1359313771 RATWAGLRGRPGPK-YADARESESA-N 456.591 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 1359334066 RYJDVAGAXDADRM-UHFFFAOYSA-N 499.685 2.676 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359335836 WLUIMUXCMPPKKZ-AZUAARDMSA-N 489.667 2.537 30 10 JFEE CC(C)c1nc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)cs1 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SCSNBKQULCYLHC-UHFFFAOYSA-N 468.675 2.739 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1690235945 GQGHQVXYAZDALG-DYXWJJEUSA-N 460.623 2.530 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1690252187 ASIWXJZLICAIQF-SPEDKVCISA-N 456.543 2.846 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)NC)CC1 1690424225 HVCMWHBOZIIBNP-UHFFFAOYSA-N 463.590 2.876 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1690583648 RUPQWKAIOCZJHU-UHFFFAOYSA-N 450.587 2.573 30 10 JFEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690648089 DMDAJTBHIXPMOQ-UHFFFAOYSA-N 452.603 2.657 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(c2ncccc2F)CC1 1690676235 UGJUEKIYRASCOC-UHFFFAOYSA-N 479.560 2.719 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1690720300 FIDOSCNENNVDKX-GHTZIAJQSA-N 453.568 2.907 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1690742607 VRMVMZZZKGINNN-HXUWFJFHSA-N 497.669 2.526 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1690746588 DNHLDNHIDBUNOY-YLJYHZDGSA-N 477.656 2.654 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1N(C)CCCC1(C)C 1692763062 FSQIYOBTKJJMOF-PXNSSMCTSA-N 473.647 2.517 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@](C)(O)c1ccco1 1694125974 FRMLRVKMPYNPKQ-YGKZAACZSA-N 450.547 2.669 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1705517218 QRCRLUKTYSPMGJ-DHIUTWEWSA-N 469.655 2.942 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705563830 GLWVLIWGBIZNLD-UFYCRDLUSA-N 473.618 2.831 30 10 JFEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1705565159 GRYHQHFEPAGGSE-GHTZIAJQSA-N 490.651 2.951 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1705621978 UBHXKKKZDDPJHU-QZTJIDSGSA-N 460.538 2.944 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCOCC2(C)C)CC1 1705635436 YTOQUQVRFQZHER-UHFFFAOYSA-N 487.446 2.574 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cccnc2OCCC)CC1 1705636529 NOOGOKOJYVMFRW-UHFFFAOYSA-N 476.581 2.950 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cccc(Br)n2)CC1 1705640900 JTASYFFHLYBFEK-UHFFFAOYSA-N 481.398 2.839 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1705650818 ZDUCRMPREKXLBZ-UHFFFAOYSA-N 495.628 2.533 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(=O)N1CCOCC1 1705653764 PKMGCTAMKWCDPT-FQEVSTJZSA-N 471.627 2.696 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705660468 WHXWNTNMQXIHNE-HXUWFJFHSA-N 453.612 2.937 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705694782 SZQHBOVFBGXINB-YMXVXVAOSA-N 475.634 2.950 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705737250 MUAZJMCZGUADII-NJYVYQBISA-N 490.649 2.852 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1705753522 BYLINAUAHGCTTF-MRXNPFEDSA-N 454.980 2.843 30 10 JFEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705845874 KEFALHQFLZBHBZ-SFHVURJKSA-N 463.508 2.792 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)C(C)C 1705867494 OUPQSFSLGUQLEA-DRLORSAXSA-N 486.661 2.597 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705896281 HRIUMWNQMQFBDS-AWEZNQCLSA-N 493.431 2.663 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1705898348 IWOFBOVXYPOKOM-SIBVEZHUSA-N 499.612 2.817 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705899108 IENOVOIYSYIRJC-MRXNPFEDSA-N 454.481 2.968 30 10 JFEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1705901263 HAAJOLITUCXEST-UHFFFAOYSA-N 466.355 2.748 30 10 JFEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1705930283 KBUGMTQYXNNRMF-KRWDZBQOSA-N 455.378 2.528 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(c2ccccc2)CC1 1705932616 WYSFKOABXNNGRU-UHFFFAOYSA-N 452.584 2.658 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722278712 MYYBVMKURGIUNT-QZTJIDSGSA-N 452.584 2.541 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@H]2CCCCS2(=O)=O)c1 1722305824 VMPZYAPUBSDHDO-FXAWDEMLSA-N 457.600 2.815 30 10 JFEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722326911 LLTUKFAYCQGEOE-SFHVURJKSA-N 475.615 2.624 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722358540 CTTXPQRKLPRWJJ-NZQKXSOJSA-N 469.655 2.866 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H]1C 1722396237 HHLDQLKPILVARI-LEWJYISDSA-N 470.618 2.534 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722420893 KAOAPYPMDRFVSE-JQVVWYNYSA-N 482.604 2.896 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1722433409 URNIFZASEWTPGG-SHQCIBLASA-N 480.657 2.551 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2nccnc2C)CC1 1722434030 KKLPLTAYRVCNRG-UHFFFAOYSA-N 472.416 2.865 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722466107 ZOXOHFMIQZZYOI-KRWDZBQOSA-N 456.490 3.000 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOC2=O)cc1 1722468015 FNZDEVVSQDDJMU-HOYKHHGWSA-N 453.543 2.999 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722592691 YFMNBTKTDYOMJF-QGZVFWFLSA-N 454.575 2.926 30 10 JFEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722629576 MDBPKEWGSNPFOS-UHFFFAOYSA-N 467.614 2.845 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)Br 1722679244 UFLCKBZGKHQBPP-UHFFFAOYSA-N 479.347 2.975 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1722693768 ZQNBFWXZENUSOR-GOSISDBHSA-N 498.538 2.744 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1722724181 PFLFBMFTUNDXFV-JKSUJKDBSA-N 482.990 2.672 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1 1729183736 FSIPGMMSBISZDQ-UHFFFAOYSA-N 487.626 2.949 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC=CO2)c1 1740565120 KAZHEKQZWFSQFX-RRPUWOKSSA-N 465.554 2.751 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1740579719 VNJFEDRKWLZJNB-SFHVURJKSA-N 459.595 2.615 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1740619858 LUVKSDPWEJVLMP-GOSISDBHSA-N 483.594 2.914 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1740631844 LWAIWKMQIARPHI-DHIUTWEWSA-N 476.499 2.842 30 10 JFEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CC[C@H](C(F)F)N1CCOCC1 1740670601 QHQSTCJRSFSJOR-LJQANCHMSA-N 453.484 2.963 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740691631 KXKJMYXYDRGTJW-HXUWFJFHSA-N 475.012 2.850 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1740701777 PRQHCZGNRUUPRM-RTWAWAEBSA-N 481.597 2.743 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1F 1740750475 CGZRJLYDUVXZNL-AYBZRNKSSA-N 451.568 2.645 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)C1 1740757077 SKIMOLZSGDVFRK-BEFAXECRSA-N 460.376 2.967 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740843974 AJSOVMOMWPSMLI-SFHVURJKSA-N 457.600 2.762 30 10 JFEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740874872 KBDABAQIMZVCHB-UHFFFAOYSA-N 478.601 2.551 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1740941611 OVMOBKVHTVPAHG-CTNGQTDRSA-N 490.649 2.710 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1740950372 JLAISLLHHSODDK-MOPGFXCFSA-N 476.622 2.905 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1740954046 ZXHBGDKPVKDZJU-DEOSSOPVSA-N 469.611 2.978 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1740960884 DZQPFAHINOCPNX-SFHVURJKSA-N 472.565 2.661 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)N(C)C2CCCCC2)C1 1740973128 RJUGTIWPZKJQAO-YKSBVNFPSA-N 461.607 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1740989021 XSRXEAZNOZZQLR-HOTGVXAUSA-N 497.415 2.685 30 10 JFEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC2CCOCC2)CC1 1741038373 SYCZNZLTXPPERC-UHFFFAOYSA-N 496.612 2.621 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCCN(c4ccccc4C#N)CC3)n2C[C@@H](C)N(C)C)n1 1742708737 DBPHGTVGEZRNAN-OAQYLSRUSA-N 461.618 2.678 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCCC2(C)C)c1 1747600789 FZFHKTCAHGROHO-DEOSSOPVSA-N 486.642 2.877 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748808447 CCQNDBZUCJYYPS-NEWSRXKRSA-N 458.584 2.635 30 10 JFEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748934626 BMSIKOUWLHABFG-ACRUOGEOSA-N 483.617 2.624 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1c(F)cccc1F)N(C)C 1748959935 AWUDHVYHXGAOQS-LJQANCHMSA-N 486.523 2.673 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCC(=O)N(C)C)CC1 1748984913 VWOMGIXOIVETFJ-UHFFFAOYSA-N 452.603 2.604 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1749023935 AGKIQGPQONQTPC-FQEVSTJZSA-N 473.668 2.780 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749139257 CZOFXASSIVOADT-FVJLSDCUSA-N 464.563 2.601 30 10 JFEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCSC1 1749165252 APTWZNVTMXVHNY-VWLOTQADSA-N 470.687 2.913 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1749187503 OWEROMKMVHGXQP-SFHVURJKSA-N 452.559 2.883 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F)C1CC1 1749519724 QUHCCDIHBHXAPS-NVXWUHKLSA-N 459.563 2.591 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1OC 1749551268 USEWYVXOEYIROR-KRWDZBQOSA-N 454.556 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30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1286515207 GDALLFKMGTUKTG-OAQYLSRUSA-N 472.387 2.982 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286567130 PJTMNMJZWZGVCY-FGSXEWAUSA-N 478.590 2.991 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1286606610 WACMVNGVYNTVGU-LJQANCHMSA-N 482.585 2.680 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCCC)CC1 1286625374 FNSLKWHAVFSNDC-UHFFFAOYSA-N 469.981 2.806 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1286652512 XYMQAUZKMMUGAV-SJORKVTESA-N 463.604 2.767 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1)C1CC1 1286736491 FXYVYXHPZJBZNK-HTAPYJJXSA-N 465.620 2.609 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1286741086 CFXAHVWNKUGLAF-YKSBVNFPSA-N 465.627 2.731 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1286805785 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C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1359214803 MGTLIRLGTIOBDD-HXUWFJFHSA-N 454.550 2.616 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NC 1359258253 KMZQHRZKSBOXAC-UHFFFAOYSA-N 450.543 2.971 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359328267 YRFXLZNQHWTJPL-RLLQIKCJSA-N 462.616 2.843 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359335377 JUVQFVAJXGHELG-QZKQXFQVSA-N 479.647 2.884 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1359552830 DHIXITVPUIBMLT-RUZDIDTESA-N 477.569 2.948 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 1446885946 XDVVKRFWOJHUJW-HNNXBMFYSA-N 452.363 2.914 30 10 JFEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3c(F)cccc3F)CC2)CC1 1460293855 HJGPAQKGCIPAMS-QFIPXVFZSA-N 457.500 2.635 30 10 JFEE COC(=O)[C@H](CNS(=O)(=O)c1cccc(C)c1C#N)Oc1ccc(Br)cc1 1463678024 FODGBXXTWQFLNN-INIZCTEOSA-N 453.314 2.528 30 10 JFEE CS(=O)(=O)Nc1cccc2c1CCN(C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)C2 1466152362 BGMMGULHTYGTTI-UHFFFAOYSA-N 454.487 2.845 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C2=O)cc1 1467705276 AFDDPJHKUNQYNA-APWZRJJASA-N 454.939 2.932 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 1472379921 CDLJWGWYWYTDOC-KRWDZBQOSA-N 451.589 2.918 30 10 JFEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n[nH]1 1492687286 DUAGHIIKPZZLHY-LJQANCHMSA-N 477.573 2.980 30 10 JFEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1493190855 DCYFCWUTPIDETG-QGZVFWFLSA-N 497.600 2.699 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1507630056 YUHPMXDHLCDIND-KRWDZBQOSA-N 464.975 2.732 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1507638860 HMFFTURSALUBJE-GOSISDBHSA-N 464.538 2.905 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1507638968 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C#CCN(c1nnc(CC(C)(C)C)n1CCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588059485 OVUCZYYSFQXLEW-SFHVURJKSA-N 454.600 2.543 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1588093320 JONQBMIERGFRME-QHCPKHFHSA-N 456.015 2.879 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OCC)c(OC)c1 1588138566 FRDLICJJUJUBRJ-UHFFFAOYSA-N 485.592 2.981 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCN2CCC)CC1 1588947173 LXJNTLNMSFUERD-QHCPKHFHSA-N 478.641 2.718 30 10 JFEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1589036577 LIVZZDUOPWGJLI-UHFFFAOYSA-N 486.642 2.959 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1589496013 VOWQHNVRDMJLBG-XUZZJYLKSA-N 452.603 2.891 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1589658277 XICPVICJDMOQTI-LJQANCHMSA-N 452.607 2.769 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1593689914 FPEWOZPZYROKFK-UHFFFAOYSA-N 467.570 2.912 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1593710592 AHHLUFQSFQKOQD-IBGZPJMESA-N 478.391 2.642 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC(OC(C)(C)C)C2)CC1 1594097079 LSQGPICLWMHSBY-SOAGJPPSSA-N 481.663 2.751 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NCc2ccco2)CC1 1594202580 SBLGISOFEFYLRT-UHFFFAOYSA-N 498.609 2.507 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1594448814 NACNNVAUPSIILG-UHFFFAOYSA-N 474.631 2.831 30 10 JFEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)N(C)C)C1CC1 1595038484 XKDSCHGCQUTKIE-UHFFFAOYSA-N 484.420 2.762 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1595161445 ADUQEIGVKBZKLP-SFHVURJKSA-N 479.672 2.545 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCCC1 1595275586 HGUUOQPDSGPKNR-UHFFFAOYSA-N 451.369 2.720 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595544403 HOBKVEGGIYBJSO-QRVBRYPASA-N 476.622 2.556 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)C)CC1 1595577484 UHPYZWHKYDFRPO-UHFFFAOYSA-N 467.401 2.997 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(C)COCCO2)C1 1595700123 KVQYFKPADFWGAX-DVECYGJZSA-N 458.559 2.939 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C(CC)CC)no2)C1 1595722117 JBDWOIVWLYQAHU-QZTJIDSGSA-N 463.604 2.901 30 10 JFEE Cc1cccnc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1612319348 BVYLYOFCIOXYLP-MOPGFXCFSA-N 467.574 2.873 30 10 JFEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CCN1CCOC 1614214981 BXJCGIUPUGTULH-QHCPKHFHSA-N 479.629 2.766 30 10 JFEE C#CC[C@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)c1ccccc1 1632034822 MDYMSMRVOJDRIV-QHCPKHFHSA-N 450.564 2.950 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3OCC)C[C@@H]2C)c1 1633770359 SLMLLCFUYBRBIW-IBGZPJMESA-N 457.596 2.896 30 10 JFEE Cc1nc(COc2ccc(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)cc2)no1 1648749716 AERXCBWVQZNEDP-UHFFFAOYSA-N 458.272 2.754 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1cccc(O)c1 1649542463 MITBTPDYNVXIHQ-UHFFFAOYSA-N 466.542 2.934 30 10 JFEE COc1cc(NC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(F)cc1C#N 1679428076 HAKRYGCFNSDAGY-UHFFFAOYSA-N 455.490 2.688 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(C(=O)NCC)CCC2)c1 1689870633 UXNJBKQMXVHQBW-UHFFFAOYSA-N 473.581 2.646 30 10 JFEE C#CCCCCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1689888923 URBFIDGHDCCDCL-VAMGGRTRSA-N 491.658 2.866 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1689914749 BXLRYWYDNCNFAP-UHFFFAOYSA-N 485.434 2.905 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689980195 NMNSDGLRDQBAMZ-FGZHOGPDSA-N 466.611 2.711 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1689994180 SPWZFVSWPHJDDV-QGZVFWFLSA-N 476.672 2.835 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690170689 OQNAZQCMMCRZAF-QGZVFWFLSA-N 492.527 2.809 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC(F)F)c1 1690174372 BUKYSVOYOSYAMU-MRXNPFEDSA-N 470.567 2.784 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690177219 NRQJJTJRZQQJON-LJQANCHMSA-N 459.019 2.929 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1690178956 IVAQNAQITSSMFP-UHFFFAOYSA-N 494.646 2.923 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690179139 OGLSXGAQFZLVOR-UHFFFAOYSA-N 473.672 2.727 30 10 JFEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690181126 PGHYBSIOWWOLJY-FQEVSTJZSA-N 472.703 2.947 30 10 JFEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690223030 CCIDSIBVGQLISP-CVEARBPZSA-N 472.395 2.748 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCN2CCC[C@H]2CO)CC1 1690367669 XJIABQPRRLQTAF-NRFANRHFSA-N 473.643 2.742 30 10 JFEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1690546810 KWSISQRFBXPSFK-UHFFFAOYSA-N 465.620 2.541 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC=C(COC)CC1 1690726447 AINGGWANFWOELR-UHFFFAOYSA-N 455.584 2.734 30 10 JFEE C[C@H]1CC[C@@H](C)N1CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1693601435 CHAOAGWZPNOMFO-SZPZYZBQSA-N 492.672 2.680 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705508809 VKHPORMWPVFZBV-KNQAVFIVSA-N 485.032 2.822 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1705517420 VLDRPODDAJXYTB-QUCCMNQESA-N 477.656 2.688 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705571856 JTQJSIWGPLHECE-FQEVSTJZSA-N 497.646 2.843 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cccs1 1705573115 ZNALBOXYLCFWEK-UHFFFAOYSA-N 460.563 2.712 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(C(=O)N(C)C)CCCC1 1705575100 AHPBEZPELUUJQE-UHFFFAOYSA-N 471.403 2.768 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCO[C@@H]1C 1705593405 QHCQWPXMYSCGNX-QVKFZJNVSA-N 461.335 2.850 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccccc1 1705599413 YQRLIMVKMGEVSR-MHZLTWQESA-N 469.593 2.823 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCNC(=O)C(C)C)CC1 1705634273 PTICXSOBNPDDMF-UHFFFAOYSA-N 491.409 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(CC)CCC(F)(F)F)CC1 1705649474 YVOUFWPHCCAGRQ-UHFFFAOYSA-N 477.535 2.580 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1705672137 MESCUSMOEKIEML-GJBXTBEHSA-N 466.611 2.997 30 10 JFEE C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1705720208 DPUXRPXSLAIANL-QGZVFWFLSA-N 467.636 2.886 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1705730863 OQFGFNZTXCXIRR-KRWDZBQOSA-N 477.407 2.840 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705738535 AWMZXLKUWVKJPW-JOCHJYFZSA-N 473.643 2.774 30 10 JFEE C=CCCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@]1(OCC)CCOC1 1705824723 YSBMAQZNTNEBGI-QFIPXVFZSA-N 457.535 2.526 30 10 JFEE 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GHLDFWILFONOLM-UHFFFAOYSA-N 488.596 2.879 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1740818769 UGPXGMFYOMOEMI-GOSISDBHSA-N 474.631 2.575 30 10 JFEE C=CCCOCCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740885746 NBIFKZGMWXMLGR-NZQKXSOJSA-N 458.651 2.907 30 10 JFEE C=CCCOCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740888586 PPNMLRUATMHTJE-OKZBNKHCSA-N 463.579 2.641 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740952526 HDWVBOQTCLVWEQ-MRXNPFEDSA-N 489.418 2.703 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1740953494 HXNMIIYFDSLSTJ-LSDHHAIUSA-N 461.588 2.603 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1740961281 RTHZTSTVHTXWLS-UHFFFAOYSA-N 452.603 2.620 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1740991244 RNTBEPHCUWGHMM-OAQYLSRUSA-N 493.674 2.786 30 10 JFEE 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10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)c(OC)c2)CC1 1749304016 SMYSHNVOXCQSEQ-FQEVSTJZSA-N 496.033 2.672 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749368753 PGFDEDZLJGNHBZ-SJORKVTESA-N 478.619 2.867 30 10 JFEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749606114 JZOJLPAWRUDNQP-KRWDZBQOSA-N 487.004 2.802 30 10 JFEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1749635032 RKEWMYMTDHXCPJ-MRXNPFEDSA-N 451.556 2.547 30 10 JFEE C=CCNC(=O)Cn1c(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)nnc1C(C)(C)C 1749682630 XIWTUDCKDKDRRR-UHFFFAOYSA-N 463.586 2.855 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1749736633 MSCSGZJZNHFOGI-UHFFFAOYSA-N 483.642 2.595 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(O)CCCCCC2)c1 1760124861 CDCGIMZBGFQLKC-UHFFFAOYSA-N 459.554 2.877 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCN1CCOCC1(C)C 1760197603 CEKQKDPALBIULO-UHFFFAOYSA-N 462.417 2.953 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1760212620 YWINODSIEWETDS-DEOSSOPVSA-N 481.988 2.720 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(COC)CCCC1 1760214887 GDSGKALJSCBWQE-UHFFFAOYSA-N 458.570 2.981 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760226333 CKDABMUBPTWINT-UHFFFAOYSA-N 456.503 2.607 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC(C)C 1760289489 PPZXGFDSWQVNTJ-OAQYLSRUSA-N 467.542 2.866 30 10 JFEE C=C(Br)Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760314131 JZGIDVCKRRNACY-GASCZTMLSA-N 485.427 2.918 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 1760352431 RCCAYRLQMVHFEJ-QGZVFWFLSA-N 487.630 2.741 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1760392275 KSMGYMAGZHJUGV-UHFFFAOYSA-N 486.598 2.738 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760410593 KFQZDKVHBNDOAG-UHFFFAOYSA-N 459.576 2.516 30 10 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C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689882927 QMJZONFEUUNWFM-SFHVURJKSA-N 475.615 2.626 30 10 JFEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1689886744 FTJLOGYSXXNVLR-SFHVURJKSA-N 461.570 2.706 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)c1nccs1 1690013303 JTQOPLIJSHQJDF-MRXNPFEDSA-N 453.597 2.571 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(F)cc(F)c(F)c1F 1690031316 GUMXVJBZCRCCQO-UHFFFAOYSA-N 456.403 2.993 30 10 JFEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1690085463 BBJDAECINPAEEZ-HSZRJFAPSA-N 459.591 2.664 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCCCC2)CC1 1690140439 YXFVSYNHYJPSSX-UHFFFAOYSA-N 483.016 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCOC[C@H]2C)CC1 1690148815 VXYRWXPBLNEKPT-DENIHFKCSA-N 465.598 2.516 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1690150510 KVIKAQUKSWNSCT-HHHXNRCGSA-N 491.592 2.538 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nc3ccccc3[nH]2)CC1 1690396775 LVOUZVQSOAEDLM-INIZCTEOSA-N 457.604 2.800 30 10 JFEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690490109 PHZBUGDOBNXYLL-UHFFFAOYSA-N 478.641 2.970 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1690496420 PZRFOGOAMPDQDC-UHFFFAOYSA-N 467.570 2.912 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1cccs1 1690518276 CMSGIXZBACHJDO-NRFANRHFSA-N 461.613 2.787 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1690577645 KUAMTRSKZYYNIN-KRWDZBQOSA-N 494.668 2.678 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1690581819 YZSRLMKLOGOBIY-FNAHDJPLSA-N 456.635 2.538 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1690594805 HETGXDVOZUPICV-OAQYLSRUSA-N 452.584 2.652 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCn1cccn1 1690663295 ROLGPEVKTNVQQK-UHFFFAOYSA-N 478.782 2.996 30 10 JFEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690736024 QAHGXDWMIZDLFO-MRXNPFEDSA-N 463.405 2.841 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(C#N)o2)C1 1690779482 CUTUMHGPCHBPMU-IBGZPJMESA-N 475.553 2.965 30 10 JFEE C[C@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1692733719 DKBBRFVGUALLSF-IFMALSPDSA-N 499.685 2.704 30 10 JFEE CCc1nsc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](CC)OC)CC2)n1 1694771003 AAWQLJHNYSGJDG-SFHVURJKSA-N 452.588 2.982 30 10 JFEE CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC(=O)N(CCOC)C2)cc1OC 1696112160 CINNAXZMSRMOFY-IBGZPJMESA-N 482.585 2.587 30 10 JFEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 1698297583 ASADDVGVBREDQX-KRWDZBQOSA-N 463.654 2.679 30 10 JFEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705512824 QCXBKFTWFSIHDF-GOSISDBHSA-N 473.599 2.585 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705567374 VUBACDKFPVWTNH-IBGZPJMESA-N 479.647 2.867 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1705568123 HZNCNAZGXGWNSF-ROUUACIJSA-N 478.615 2.909 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705578320 OEPDSXNAORSSFH-NRFANRHFSA-N 491.514 2.688 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1noc(CC)n1 1705582234 WOCNYIFACACWJX-SFHVURJKSA-N 467.574 2.654 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1C1CCCCC1 1705621465 DMDGFAXMRULTML-OAQYLSRUSA-N 465.602 2.809 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(Br)c2)CC1 1705638029 VLFOUTQPBNWAPA-UHFFFAOYSA-N 467.371 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)N(C)C)CC1 1705646704 NWLMDKABULCYQK-QGZVFWFLSA-N 482.654 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nc(C)cs2)CC1 1705649617 CSZTXEOAXHLENQ-UHFFFAOYSA-N 464.595 2.657 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(CC)s2)CC1 1705650880 BJPSFKRVZFIHNX-UHFFFAOYSA-N 465.627 2.778 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1705651106 JVLIZXDPUQLIGJ-IRLDBZIGSA-N 465.598 2.682 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C1CCC1 1705670484 WGKNTXTVYBJNFR-XMMPIXPASA-N 469.611 2.647 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705700655 WXLOXGWLEFNNOL-KNQAVFIVSA-N 488.658 2.928 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705704862 ZZMIUONHIGVQAP-LEWJYISDSA-N 453.591 2.905 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705722379 IYKVTYLFGCAOCG-SFTDATJTSA-N 486.686 2.920 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705727100 GAMWYSMHOUPVCU-UHFFFAOYSA-N 498.584 2.712 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1705883936 AOIPMMSVZGQTGB-JENIJYKNSA-N 460.600 2.752 30 10 JFEE C=CCn1c(N2CCCN(c3cc(OC)cc(OC)c3)CC2)nnc1[C@]1(OCC)CCOC1 1705893366 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C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2cccc(C)n2)CC1 1722443455 JPODBEYPCKWSET-UHFFFAOYSA-N 458.566 2.866 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1722460202 VWVWVSBQRXNMFN-FPOVZHCZSA-N 453.612 2.795 30 10 JFEE C#CCSCCn1c(N2CCC(c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722463797 NDLAHWLRGADUQE-JOCHJYFZSA-N 460.604 2.761 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCC)CC1 1722500787 DCGCRKCNXVEWHQ-JTHBVZDNSA-N 469.634 2.864 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1722671914 FWTCAUJEQXOHKA-IIBYNOLFSA-N 450.992 2.920 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](OCCOC)C1 1722694189 NLKOTYZWZOIUDB-AWEZNQCLSA-N 484.420 2.703 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1722699177 CVZKAERMMXGCJA-UHFFFAOYSA-N 455.513 2.567 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCN(C(C)C)CC2)C1 1722713924 HJNMAWMFNDBUNZ-QFIPXVFZSA-N 455.603 2.970 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1 1722734699 INGIUEQZUPPEKX-UHFFFAOYSA-N 465.421 2.776 30 10 JFEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1729927355 ICYCVVMQKMHDDP-VWLOTQADSA-N 468.602 2.845 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740612905 MITGOUNETHKLKM-JOCHJYFZSA-N 495.672 2.873 30 10 JFEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740623663 YTFMHEOMAIJDHG-IBGZPJMESA-N 472.611 2.777 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCn2cc(C)nc21 1740647150 OPJMIPHAYKJGGS-PXDATVDWSA-N 450.587 2.864 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(=O)(=O)CC)CC1 1740692811 PLAOJYSYNFQXEW-UHFFFAOYSA-N 480.638 2.543 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1740751950 QGOGMSGFVAUFHN-XEZPLFJOSA-N 464.419 2.769 30 10 JFEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740796280 ATCIABWGUCYZSQ-GOSISDBHSA-N 466.007 2.768 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1740877440 ZOWSAFZNLLMYGY-IBGZPJMESA-N 484.605 2.669 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740962355 BFFAGNKMAYTGCD-GOSISDBHSA-N 470.622 2.703 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740965061 CWDPJVDSGNCZKZ-UYAOXDASSA-N 487.674 2.899 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)n1 1742703143 HBWPXXKIOCINIA-ZJSXRUAMSA-N 454.623 2.627 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC)OC)CC1 1745851396 CSGNMPFMMUDAGF-FQEVSTJZSA-N 460.604 2.540 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1746034897 FUTJYDKIIFTTAV-KBMIEXCESA-N 466.586 2.850 30 10 JFEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748706635 OUGMVIGKPFSYLX-UHFFFAOYSA-N 496.612 2.730 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1748807764 CHHGNHHQPFDHFJ-IBGZPJMESA-N 495.443 2.887 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1748809543 NDVYYCLYGWTUEI-GOSISDBHSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748816333 ZEVLYNYNBJRYRE-CTNGQTDRSA-N 464.632 2.886 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748882296 NTAMFWKZEVZHPL-SQJMNOBHSA-N 482.606 2.540 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1748929096 COLNHCYNTOTNIS-RBUKOAKNSA-N 469.590 2.505 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCOC1 1748962455 IFCFBNXBGDLLQZ-LJQANCHMSA-N 461.607 2.905 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CC(C)C)CC2)CC1 1749003825 XDGHSNJBSSYVIQ-VWLOTQADSA-N 457.619 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN(C)[C@H](C)CC)CC1 1749005920 BAYWAAFJOMIABT-LJQANCHMSA-N 452.603 2.650 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1749140082 LSQVUVVLSPYIHV-CBQOVEMMSA-N 481.663 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C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 757417327 UBHBRCMNROXVGW-DGGJZMOXSA-N 464.518 2.764 30 10 JFEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)Nc3ccccc3C(=O)OC)n[nH]2)cc1 1083989761 FJGXUCFPHAHBJO-UHFFFAOYSA-N 468.495 2.555 30 10 JFEE COc1ccc(NC(=O)CCSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)c(C)c1 1084119140 NZEXJVHIYWRXHI-UHFFFAOYSA-N 457.564 2.653 30 10 JFEE CCN(C)C(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084587450 RDYODWPQIXEKQU-OAHLLOKOSA-N 455.592 2.770 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286274977 PZFBKLJEFFKYIR-CADBVGFASA-N 479.585 2.886 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cccc(N2CCOCC2)n1 1286279745 PKCNYQWSVDBEOE-GOSISDBHSA-N 462.554 2.700 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1286325580 ZLDQDCGZDZHIEG-FQEVSTJZSA-N 481.569 2.719 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1286369237 IRLXFMVEFDUZCQ-UHFFFAOYSA-N 464.570 2.720 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286386843 ILFXYSHCSDHKQC-SFHVURJKSA-N 483.560 2.764 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286393027 IYIKKNBCZHIJFN-NRFANRHFSA-N 475.634 2.754 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)c2ccco2)CC1 1286476402 WOPVORZBAFQJPB-JOCHJYFZSA-N 470.371 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1286490746 RAFXOGZNSPGBRB-DHUJRADRSA-N 490.633 2.541 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2c(F)cccc2F)CC1 1286491271 LDHVCWPDFYAQHL-UHFFFAOYSA-N 464.520 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1286492508 HIGITRWZIPUCSD-PZJWPPBQSA-N 481.597 2.614 30 10 JFEE C#CCSCCn1c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nnc1[C@@]1(OCC)CCOC1 1286512971 PCOVORYIUNZXPL-HSZRJFAPSA-N 486.598 2.531 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1Cc1nnn(C)n1 1286520968 XQFCYWBIGBZJPT-HSZRJFAPSA-N 450.547 2.697 30 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C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCC(=C)C)CC1 1300710548 FWGTWHNXRJTCPK-FQEVSTJZSA-N 458.607 2.698 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300769472 HGLJJJHNOPQHNA-UXHICEINSA-N 453.612 2.803 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1300805700 HPDKXALCFJKXAT-RXFWQSSRSA-N 496.612 2.634 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=C(COC)CC1 1300830573 ZOMHEQIYJOVVIT-UHFFFAOYSA-N 496.431 2.887 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1300881547 PMGNERJPRQXKDV-DYXWJJEUSA-N 453.591 2.705 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 1300988934 LODHDKYAMOHJCY-FQEVSTJZSA-N 460.600 2.863 30 10 JFEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301221952 QOWLZNOBGYBFHP-FQEVSTJZSA-N 489.665 2.569 30 10 JFEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1301238285 GYXYNIXBZPRDRK-PMACEKPBSA-N 457.600 2.894 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1301485221 TUBKCDVQWUPNMA-HXUWFJFHSA-N 464.530 2.810 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccs1 1316089288 CTQXCEOZBFMNBM-IBGZPJMESA-N 471.608 2.815 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1358924492 YBXXKZHJWRKCPV-UHFFFAOYSA-N 475.601 2.809 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1358957262 RVJSXGCSCBYOAK-DENIHFKCSA-N 466.611 2.847 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1358958030 GAYFBYMJRILWDA-PMACEKPBSA-N 469.636 2.975 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1C1CC1 1358968593 RLBVHQURTIPSJE-QFIPXVFZSA-N 465.001 2.951 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C(F)F)N1CCOCC1 1358987228 XIFWEWMVGOARJO-SFHVURJKSA-N 495.372 2.855 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)NC(C)C 1359019286 PPDDUJUYFZGQSX-UHFFFAOYSA-N 452.584 2.988 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(C)(C)C)cs2)n1 1359028454 SOJUBOWKAZRTRC-GOSISDBHSA-N 496.641 2.514 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=C)Br)CC1 1359042710 QUBGFTVYDVTIJP-UHFFFAOYSA-N 463.767 2.868 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1359056211 APIWRZPVOFHVMM-FGZHOGPDSA-N 487.695 2.505 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359091457 NNMGDSHWOXIDHN-BXWFABGCSA-N 498.053 2.561 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359101565 POHNQIHDWHARJH-ZJOUEHCJSA-N 461.607 2.942 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 1359113680 NVDNMCCNYJOYKG-GOSISDBHSA-N 492.627 2.778 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC)C1CC1 1359251873 XUVIWVUMLYJLKJ-HOJAQTOUSA-N 477.606 2.793 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 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C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CCCOc2ccc(C(=O)O)cc2)nc1C 586302208 HSDIUDTVDDSTBY-WJOKGBTCSA-N 466.537 2.649 30 10 JFEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cccc(O)c3)C(=O)N2Cc2ccnc(C)n2)cn1 731315496 GTWSDRVRTZKTKS-IBGZPJMESA-N 465.539 2.868 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)CC1 758660274 CJXLAVPEVMPTHH-RDPSFJRHSA-N 466.607 2.597 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 919708594 TUDZCWLPQLJKJQ-QHCPKHFHSA-N 453.608 2.801 30 10 JFEE CC(C)c1noc(Cc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)n1 1155689176 AKYWRTXVPPTBQE-UHFFFAOYSA-N 453.524 2.851 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1168970561 NOSCQQWGPRTHIY-KRWDZBQOSA-N 459.497 2.796 30 10 JFEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCNC(=O)[C@H]1c1ccccc1Br 1211427357 ACWDAMOMQUUYQN-MRXNPFEDSA-N 452.305 2.630 30 10 JFEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC2CCN(CC(F)(F)F)CC2)CC1 1229588055 FOIWIGFLIDVZGI-UHFFFAOYSA-N 452.437 2.665 30 10 JFEE 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2.945 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)nnc12 1457734617 YSVINOLIWIXNKN-FUHWJXTLSA-N 455.584 2.578 30 10 JFEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1501159244 FGVAXYMSQKWRAX-IBGZPJMESA-N 478.557 2.817 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc([C@@H]2CCOC2)cn1 1507521459 YVHJGSDAPGRXFQ-HUUCEWRRSA-N 458.364 2.894 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507641004 XSERLUGXHTZRCQ-OALUTQOASA-N 460.625 2.545 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1507690958 VUXOQUSBOIQRPT-VQTJNVASSA-N 460.623 2.573 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)cc2F)CC1 1507740022 IKFBDWBLJJXBNP-UHFFFAOYSA-N 494.596 2.731 30 10 JFEE C=C(Br)Cn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507794026 UZPJCULWEONLJP-OAQYLSRUSA-N 482.423 2.819 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1507843351 MDEFRVJUSJBORO-UHFFFAOYSA-N 488.486 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30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1740677466 KMQCKOIMSBFYIJ-UYAOXDASSA-N 499.616 2.750 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([S@](C)=O)CC2)CC1 1740692216 GMLCHAZGVSFSIM-LJAQVGFWSA-N 480.407 2.513 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1740704700 RHYXDDRVZXOHND-UHFFFAOYSA-N 484.507 2.897 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(=C)Br)CC1 1740707847 SISLDAYVGLZMBP-UHFFFAOYSA-N 476.350 2.871 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1 1740787416 HWWKXMGSKBGPEZ-QGZVFWFLSA-N 457.666 2.737 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1740796149 QIWIDNVNYVGGPM-UHFFFAOYSA-N 466.586 2.848 30 10 JFEE C=CCCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OCC)CCOC1 1740867068 WQEUIZXNRIJIPT-RUZDIDTESA-N 469.586 2.955 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H](OC)C(F)(F)F 1740893361 HQVUVWQAFUXOEE-INIZCTEOSA-N 461.510 2.785 30 10 JFEE 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C=C(Br)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(=O)NC)C1 1749089927 FVKZLACJJXLDMP-IUODEOHRSA-N 480.432 2.991 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749232901 XBHSSTJYMXQINH-IRLDBZIGSA-N 455.603 2.627 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749368497 KPRJYLZOWPFQNN-LJQANCHMSA-N 473.647 2.516 30 10 JFEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1749629804 GFVMDKXWVGANOT-HXUWFJFHSA-N 459.616 2.664 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 1749650423 WKVCVINLVVEVGT-MRXNPFEDSA-N 453.572 2.670 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1749679815 BIDAFYKZSSUROM-UHFFFAOYSA-N 480.613 2.697 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749682364 SQYDFRRKGALHDE-WLENULPWSA-N 499.612 2.570 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1749691069 YKELPCMQCBILNS-HXUWFJFHSA-N 455.584 2.923 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1750075102 BHCXELFWTDJELA-ZBFHGGJFSA-N 471.505 2.765 30 10 JFEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)CC1 1750377828 AIRTTYDSXJKPAR-GOSISDBHSA-N 495.481 2.536 30 10 JFEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1750544022 DOHBJULEAOZLEP-XIFFEERXSA-N 468.627 2.813 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)OC 1752578625 BWEBFNPNPJWVRX-DYESRHJHSA-N 474.631 2.738 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncnn1C(C)(C)C 1760127277 UYWQMIHYCAXKNW-YESZJQIVSA-N 456.595 2.902 30 10 JFEE C#CCCCCn1c(N2CCCN(c3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1760143077 VGQNXIGFCUMAKQ-DEOSSOPVSA-N 456.566 2.985 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(F)(F)C1 1760249169 IQSKGHAOKUZKJK-SFHVURJKSA-N 459.545 2.974 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OC(F)(F)F)CC1 1760262627 UEAOOJSHERKESB-UHFFFAOYSA-N 456.472 2.966 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1760319037 KVEIHBQPMMMRGR-FIKGOQFSSA-N 456.543 2.943 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760344190 CJZDTGBJQFGTIU-UHFFFAOYSA-N 463.604 2.837 30 10 JFEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760347122 DZFPIXDQCPQUDX-UHFFFAOYSA-N 460.586 2.888 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1760356469 OEHVHCIYZUTEAJ-RBUKOAKNSA-N 476.622 2.905 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760380502 FJWDIZCPGGZVSB-NCOADZHNSA-N 464.998 2.764 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nccs2)C1 1760445807 WLCMJOONUUTETE-INIZCTEOSA-N 455.544 2.553 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760449567 NYAHYEMLBZCMSN-HXUWFJFHSA-N 453.591 2.823 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1760495093 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SYRGVKFWEHEKKR-SFHVURJKSA-N 463.870 2.642 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1 1862682501 KAKWOCDNNXNSPO-NRFANRHFSA-N 485.468 2.740 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862746432 GCDVEHNVZJCZJF-OAQYLSRUSA-N 451.479 2.895 30 10 JFEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1863478100 CKVXQJDGBCFOOB-UHFFFAOYSA-N 478.555 2.702 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@H]1c1ccc(OC)c(O)c1 1864182661 VLQLXGDXVMJHJG-HXUWFJFHSA-N 461.522 2.931 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(C)nn2-c1ccccc1 1865221155 FUHCFFUZNHYXBZ-QFIPXVFZSA-N 460.534 2.891 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CC(=O)OCC)=C(N)Oc2c1c(CCC)nn2C 1865224842 QTIKVOPRKHEDDL-FQEVSTJZSA-N 468.554 2.654 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C)nn2Cc1ccccc1F 1865227331 HGWSEZUOBMVAGH-QHCPKHFHSA-N 490.535 2.841 30 10 JFEE CC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(OC)c(OC)c3)cc2C1=O 1870144020 KTLYLAASMHFMRM-ZDUSSCGKSA-N 474.477 2.803 30 10 JFEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)Cc3ccc(Br)cc3)cc2)CC1 1870148689 ZZIXTBACBPENHK-UHFFFAOYSA-N 480.370 2.834 30 10 JFEE CCCCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CSc1nnnn1C 1870288994 NNLYVRFBYJHDAW-UHFFFAOYSA-N 494.662 2.946 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1C[C@@H]1CCCO1 1870377207 WGKZEFCNEBHNFG-NRFANRHFSA-N 477.561 2.876 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(Br)cc2)c(=O)cc1CN1CCN(C)CC1 1870727722 UFALJMLXOALGIB-UHFFFAOYSA-N 475.387 2.562 30 10 JFEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2c(F)cccc2Cl)CC1=O 1874273332 FKEMMMQOBSYGFM-BSPLCJJJSA-N 452.943 2.645 30 10 JFEE CCN1CCN(CC#CCOC2CCN(C(=O)c3sc(C)nc3C(F)(F)F)CC2)CC1 1889328274 UKIRREOBTTWPQN-UHFFFAOYSA-N 458.550 2.732 30 10 JFEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCC(Oc4ncccc4C#N)CC3)n2)cc1 1891425453 LLXFFBVDWGSNGK-KRWDZBQOSA-N 459.506 2.817 30 10 JFEE C=C(CNC(=O)[C@@H]1C[C@H]2COCC[C@@H]2N(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1892614379 DOTJNEXADXZZKT-SQNIBIBYSA-N 450.385 2.952 30 10 JFEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(I)cc(C(=O)O)c1 2059565713 DHTDOKZFYRHCQO-ZDUSSCGKSA-N 458.252 2.845 30 10 JFEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC1 2124534787 UGZQTDLYHUSBDJ-HOTGVXAUSA-N 450.385 2.689 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2180959359 BXFKJEXZPUWNNV-CRAIPNDOSA-N 464.343 2.824 30 10 JFEE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248419833 INDJQPHVYUBZOU-AWEZNQCLSA-N 456.439 2.920 30 10 JFEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](NC(=O)OCc4ccccc4)C3)ns2)OC1(C)C 2253178621 SBOAEVAMBXYLEB-KRWDZBQOSA-N 471.388 2.973 30 10 JFEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255637095 DHKWKJSEJJFZQV-CQSZACIVSA-N 451.398 2.914 30 10 JFEE COCCCN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255778250 PAHMRAVTGLFOPG-UHFFFAOYSA-N 466.434 2.811 30 10 JFEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255837934 XQUQOWGTWMDGNS-CQSZACIVSA-N 451.398 2.914 30 10 JFEE C[C@H]1CN(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCN1C(=O)OC(C)(C)C 2256626741 NMUIOYNDEPWWBE-ZDUSSCGKSA-N 452.386 2.915 30 10 JFEE C[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258877124 WNALKDHMECNHLQ-DZGCQCFKSA-N 451.398 2.960 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267164496 SEWIAOWAPAZFJQ-UHFFFAOYSA-N 461.393 2.834 30 10 JFEE Cc1nc(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267166382 RDBAXNLWGYLWLJ-RRFJBIMHSA-N 463.409 2.736 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267168913 VTVRUCPWFOXXPW-AWEZNQCLSA-N 463.409 2.962 30 10 JFEE COCCN(CCNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2267232189 OCYMICBCWDDZSN-UHFFFAOYSA-N 468.425 2.969 30 10 JFEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267369947 DQOWBPOMQOPDGS-YJBOKZPZSA-N 466.409 2.662 30 10 JFEE C=C(CS(=O)(=O)N1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267419773 SUDMBTGZXPGRPB-IAGOWNOFSA-N 474.429 2.508 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267548999 JLKQCXMCLCOTRV-FPTDNZKUSA-N 463.409 2.962 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267596890 RPGZNJYDVBNUGZ-HNNXBMFYSA-N 466.409 2.803 30 10 JFEE COC1(CNC(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2267602977 VJHZWCIPWNYXRX-UHFFFAOYSA-N 466.409 2.721 30 10 JFEE CON([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267716446 NDZCPHKPCGUPBP-HNNXBMFYSA-N 488.437 2.609 30 10 JFEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267718972 AOWSNKHFXYIFBF-ZBFHGGJFSA-N 486.465 2.971 30 10 JFEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 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456.591 2.701 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1459316028 YSYFXFYSTZKVSI-UHFFFAOYSA-N 451.482 2.952 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N(CCCC)[C@@H]2c2ccc(OC)cc2)CC1 1459463997 JCSMQLGCJKGBQQ-LADGPHEKSA-N 453.583 2.763 30 10 JFEE C#CCCCn1c(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1507599432 PEUCXPHEKVNNRS-RUZDIDTESA-N 467.618 2.892 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507631042 LEUKLJPVDGZLSY-FPOVZHCZSA-N 496.637 2.957 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507638999 IQBYUBCVOIDKIL-AUSIDOKSSA-N 480.638 2.960 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCN(C(C)=O)CC1 1507643670 XZNOBRBIJCZEID-OAQYLSRUSA-N 497.043 2.925 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1cccs1 1507678747 LYEIGZPUYBLTOA-JOCHJYFZSA-N 472.640 2.975 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1nc(C)cc1C 1507681503 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C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC=C(COC)CC1 1540906883 FTKMSVYFDHRUHS-UHFFFAOYSA-N 455.584 2.665 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1541806222 GXKKUJVGAYCDSQ-VQIMIIECSA-N 477.491 2.730 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)cs2)C1 1554405731 GZVXBFHOBSREJI-QFIPXVFZSA-N 451.556 2.504 30 10 JFEE C=CC1(CC(=O)N2CCC[C@H](Oc3ccnc(C(=O)NC)c3)C2)CN(C(=O)OC(C)(C)C)C1 1569955654 YKEYJQOCGLJRCY-SFHVURJKSA-N 458.559 2.624 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 1586360124 LIZIKPCKMUGWHW-PKOBYXMFSA-N 451.589 2.964 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1587818218 SOBVNBDOCSDTBU-OSPHWJPCSA-N 456.543 2.769 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588029279 FNVKVUSAOLLHLB-QRVBRYPASA-N 460.600 2.894 30 10 JFEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1588058970 GTQOYHZVVCKAKO-APWZRJJASA-N 476.624 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2.645 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1594798691 UPSNFKBHFHMSSK-GOSISDBHSA-N 481.022 2.591 30 10 JFEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1594813872 ZURQVTNVCBIOTL-GOSISDBHSA-N 481.523 2.812 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1595490477 SSSYRNQFGFJNSS-QGZVFWFLSA-N 475.391 2.505 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1595837837 GMFSHBLDEMBLMB-UHFFFAOYSA-N 474.606 2.908 30 10 JFEE CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1597212107 GOVYDDGDKKSUHT-RTWAWAEBSA-N 486.642 2.740 30 10 JFEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N(C)C 1603200808 HSXNRKLIKACGLH-QFIPXVFZSA-N 487.674 2.653 30 10 JFEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1614327965 BKQFMSFEUVRZTJ-VWLOTQADSA-N 452.603 2.916 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1618564935 DPXICMUCHDXNRH-HNNXBMFYSA-N 482.614 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HIQUYKUJTDFMEF-YWZLYKJASA-N 456.524 2.812 30 10 JFEE COc1cc([C@H](C)NC(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1S(C)(=O)=O 1683180735 AUWAPSRUEZRNRL-INIZCTEOSA-N 456.568 3.000 30 10 JFEE Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1683718881 FOJIOSYELDLOFH-MRXNPFEDSA-N 458.316 2.826 30 10 JFEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H](O)c3ccccc3Br)C2=O)cc1 1686084085 HMYCOXNYRRXYFF-RTBURBONSA-N 457.328 2.849 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689993808 LYSXPISUYCEWHU-JTHBVZDNSA-N 499.681 2.647 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689998462 MTEJBKHAHPVCAB-FNAHDJPLSA-N 491.702 2.555 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H]1C(=C)C 1690013374 LXCZANGDPLYSMY-CVDCTZTESA-N 456.550 2.729 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(Oc2ccccc2F)c1 1690032863 LALPYNJKKCNULS-GOSISDBHSA-N 496.568 2.726 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn2ccccc12 1690095033 CDFXFQJQIBDSNS-UHFFFAOYSA-N 468.359 2.828 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690115860 VVRAEUDSRDEWKV-MRXNPFEDSA-N 482.437 2.832 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCC2)CC1 1690139270 FSYJPBALPRFADX-LJQANCHMSA-N 481.622 2.671 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1690142254 KNGMQALWMVAISV-UHFFFAOYSA-N 496.518 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 1690152176 AUOGBOSKFKMGSW-NFBKMPQASA-N 484.670 2.925 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690229418 VTWMLDQQJZDTML-DNVCBOLYSA-N 451.369 2.566 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1690237453 ZDTNJSKUDCUDPT-BQJUDKOJSA-N 474.650 2.919 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1690331515 YBJFDGBUHOHAGO-OAHLLOKOSA-N 456.016 2.885 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690432459 DPWYOOLFTXIMIW-PKOBYXMFSA-N 462.620 2.577 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1690449540 JYPMPGGYCAUJTG-UHFFFAOYSA-N 468.577 2.901 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccccc1F 1690527014 IHBIPGLRWHFTKI-LJQANCHMSA-N 488.564 2.778 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(c2nc(C)no2)CC1 1690658814 AEFSPXXDIHCITD-UHFFFAOYSA-N 478.557 2.525 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1690661917 LBUODGGKWCHCAY-SJORKVTESA-N 479.423 2.988 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1690683680 RMYMHESBBPWENE-HXUWFJFHSA-N 454.575 2.637 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1690722866 YIDODPQPUKOGMI-HXUWFJFHSA-N 457.600 2.899 30 10 JFEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1690738344 KDPHZKYZNJEFSJ-UHFFFAOYSA-N 452.544 2.889 30 10 JFEE CC(C)CC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1692035932 BLIUDKKTYSGGPC-HKUYNNGSSA-N 472.615 2.951 30 10 JFEE N#CC1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)N2CCSCC2)CC1 1698489966 FREYCHCZLYTMSS-UHFFFAOYSA-N 481.047 2.717 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1705567463 WMXRGRIFVZMBGE-NRFANRHFSA-N 456.612 2.838 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1705589769 VXOQLBRQFQSIMI-SFHVURJKSA-N 469.973 2.817 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C)nc(N2CCCC2)c1 1705600678 IGUJNYFXTJDVJB-UHFFFAOYSA-N 456.598 2.955 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(OC)c1 1705628757 OIDYOYLJCHIOGV-JOCHJYFZSA-N 499.612 2.924 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2COCC)CC1 1705642020 CRCMSHFUCNCUPS-UHFFFAOYSA-N 478.622 2.610 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705662892 PDFRSMVONGEERN-UHFFFAOYSA-N 452.628 2.859 30 10 JFEE C#CCSCCn1c(N2CCC(C)(c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705664946 GIBUBQBSYPXGOC-HSZRJFAPSA-N 474.631 2.935 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705684813 DAACDSJXZCUJJC-CQSZACIVSA-N 479.379 2.655 30 10 JFEE C=C(Br)Cn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692990 ZPCBTVCLAGDOKM-NRFANRHFSA-N 492.422 2.652 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Nc2cccnn2)CC1 1705722355 HQLSPBGXCRZIPD-UHFFFAOYSA-N 482.614 2.642 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705737724 APMKOEUJJUOFPR-UHFFFAOYSA-N 464.599 2.820 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705759729 SHYCLZMVBPZLFU-UHFFFAOYSA-N 465.341 2.784 30 10 JFEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1705829158 IXFMSPKSFHTPML-SFHVURJKSA-N 452.559 2.883 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705895862 VLINZEHCYYFXHR-SPLOXXLWSA-N 494.365 2.533 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705910402 AVPSAVPHWWGBOY-SFHVURJKSA-N 494.600 2.604 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(C#N)C1 1705936718 XAURUWRUKSJKMD-KNQAVFIVSA-N 457.556 2.521 30 10 JFEE CC(C)(C)c1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)s1 1706102242 DYJKSAKSCOSGNR-INIZCTEOSA-N 471.612 2.637 30 10 JFEE CCN(CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1)C1CC1 1710163180 IBYARYNCYHCZNX-MOPGFXCFSA-N 459.595 2.563 30 10 JFEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCC(NC(C)=O)CC2)c1=O 1710189865 AOTBYHFFDWEDIQ-UHFFFAOYSA-N 473.581 2.930 30 10 JFEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(CCc2ccccc2)nnc1N1CCC(C#N)CC1 1710973943 GWPNVXHYYRDCJK-HSZRJFAPSA-N 463.630 2.746 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCN(CC)CC1 1722276410 DTOKOHIRFRQQDP-ZWKOTPCHSA-N 476.467 2.778 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722277229 KUIDKJPNJAJCMD-POGFHVCPSA-N 467.614 2.678 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1722316724 LWGBHSJJCORAKF-NHCUHLMSSA-N 457.600 2.538 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722341036 PYINMDUCWIMHLK-SFTDATJTSA-N 472.634 2.922 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722346575 YVZZOBPQWPIQTL-KRWDZBQOSA-N 468.533 2.881 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722363362 RNYBPSJCRVKWJX-MRXNPFEDSA-N 498.527 2.932 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1(N2CCOCC2)CC1 1722379221 YCXVRJZHVBWTJL-UHFFFAOYSA-N 454.372 2.645 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1722436125 XRHADMWCUQWQOF-LEWJYISDSA-N 453.587 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722443684 MDZLRMHROPJRPP-UHFFFAOYSA-N 499.059 2.800 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1722469317 ZARBLAFLUGVZSX-JWQCQUIFSA-N 451.571 2.720 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722505175 IXCMTPFYQKSVFD-FUHWJXTLSA-N 481.523 2.555 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722531052 MHXGTSIBUHYHOQ-YADHBBJMSA-N 458.559 2.939 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1722565950 GEXDIGYQDKDSRC-PZJWPPBQSA-N 475.615 2.543 30 10 JFEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722604911 NRZULASCYPMYKO-UHFFFAOYSA-N 450.609 2.863 30 10 JFEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O)C1CC1 1722649576 UTGVSIQXFWHNJY-INIZCTEOSA-N 453.609 2.592 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722683490 QVDYDKMBWXAMIU-CYBMUJFWSA-N 455.378 2.916 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)cc1 1722706759 YEJCZIOKHKGKGB-LJQANCHMSA-N 478.519 2.917 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722707479 QEIJQYFSBSBKJU-LJQANCHMSA-N 482.610 2.719 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722735253 OPESJZQRCRXMOI-CYBMUJFWSA-N 453.410 2.917 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722749185 GBZDGFUHKZCGGB-HXUWFJFHSA-N 496.568 2.999 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCc2cnn(C)c2)c2ccccc2c1=O 1728639908 HTFVXTMXMZPMBV-KRWDZBQOSA-N 459.558 2.780 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1740616674 FFAYTGWXNCDVSI-PKTZIBPZSA-N 469.655 2.593 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCC(C)C 1740652853 PIZGSXHEESIBAB-DEOSSOPVSA-N 470.643 2.888 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1740683458 HRPUJGGAUWUCRB-NRFANRHFSA-N 490.530 2.786 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1c(F)cc(F)c(F)c1F 1740684193 KZGIDWVEIBMIHK-UHFFFAOYSA-N 465.407 2.697 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2c(C)cc(C)cc2C)n1 1740688550 WVBMAFXVSCTGBF-UHFFFAOYSA-N 489.624 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1301223538 XPXOQRCNSGGRFV-QZTJIDSGSA-N 451.637 2.525 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)[C@H]1C 1301241869 YBOJJSNVGMNXLT-GOSISDBHSA-N 477.631 2.792 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCSCC2)cc1 1301422792 XCGZQDJRQQDTIG-UHFFFAOYSA-N 451.600 2.975 30 10 JFEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301467149 LNJDUUAZRYEZSV-UHFFFAOYSA-N 489.020 2.611 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1301478384 JVCSBUSGQGRFDI-CRAIPNDOSA-N 460.604 2.527 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301490244 NYWYIJPTYRMWMZ-SJLPKXTDSA-N 473.419 2.991 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301493176 VQAXJAQMHVTPMG-UHFFFAOYSA-N 480.594 2.670 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC[C@H](SC)C1 1301510439 XWYXPQREUBSHMJ-QHCPKHFHSA-N 497.713 2.667 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301514091 DUPTVOLPDVVMHP-GOSISDBHSA-N 459.978 2.944 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)C1 1301557236 NQQRXXRKQZNUDJ-RTBURBONSA-N 465.595 2.794 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NCC)C1 1301558169 SXKNBXYHNAQYPI-FXAWDEMLSA-N 455.559 2.734 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)nnc1C(C)(C)C 1301593562 PLXQWXCPZXVDKH-ROUUACIJSA-N 453.653 2.698 30 10 JFEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccccc3S(=O)(=O)N3CCCCC3)C2)nc1 1310218069 FFZDXZSOBWHBNV-GOSISDBHSA-N 455.540 2.813 30 10 JFEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)s1 1351218987 SNMZQQSHTRCNLG-AWEZNQCLSA-N 453.051 2.891 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1358880993 WWLIYSNIWXYARB-WMZOPIPTSA-N 463.529 2.776 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1358913487 OWAHYAIJGJECRM-FGZHOGPDSA-N 456.612 2.822 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 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C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCOC[C@@H]2C1 1359292750 WXSRCZFMUMIVRL-QUCCMNQESA-N 489.020 2.511 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359296147 YNZUMFMOPKKIEQ-LHSJRXKWSA-N 494.365 2.533 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1359305348 APRPYKBDXOXODO-UXHICEINSA-N 487.649 2.717 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)C1 1360779846 BXAOQIAQQMPORC-QHCPKHFHSA-N 487.004 2.923 30 10 JFEE C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1446244158 FQQVQKYKUFQXJK-KHCICDEESA-N 451.608 2.970 30 10 JFEE C#CCOc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1476429994 RXXOJSVXSLMKPJ-UHFFFAOYSA-N 453.495 2.714 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCCC2(C)C)c1 1503408627 FLWLEYCVKILOTH-XZOQPEGZSA-N 490.605 2.579 30 10 JFEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1503799281 AJXDJEKMWHATRA-IBGZPJMESA-N 467.574 2.789 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507625376 IMIVLVBILUPQAJ-IRLDBZIGSA-N 496.637 2.867 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1507627126 ISONKVYYBDXGAG-SFHVURJKSA-N 484.578 2.847 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCS(=O)(=O)C1 1507633405 DIXKUFGNYGYMJS-GOSISDBHSA-N 496.559 2.773 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634331 MVLUDEFIAWSPRV-GAJHUEQPSA-N 478.565 2.589 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507634770 MJPDZKCDISHFAL-PMACEKPBSA-N 462.641 2.906 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1507638361 PVWNEPUYCSXTCF-QZTJIDSGSA-N 468.501 2.823 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CCC1 1507650450 KLJFYGSTFYNPGU-FPYOTAMTSA-N 473.643 2.767 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)C1CC1 1507662263 HLZFQHJNGKSMJZ-UHFFFAOYSA-N 470.371 2.705 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCN1CCOCC1 1507704075 OGFFDOXTMFMYHN-UHFFFAOYSA-N 462.392 2.516 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1507732678 JHZZFEQERLFSEU-CLAROIROSA-N 459.635 2.599 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1507735130 LFAKPNGYJCOQHX-HSZRJFAPSA-N 499.059 2.801 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)CC)CC1 1507741153 VRFKGRQJMQXLAO-UHFFFAOYSA-N 456.616 2.672 30 10 JFEE C#CCSCCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507757716 BHXVPXBQBPJQKN-KURKYZTESA-N 477.631 2.805 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](COCCOC)C1 1507789583 FJMWKHRAERKXRC-KRWDZBQOSA-N 453.385 2.538 30 10 JFEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1)c1ccccc1 1507851349 MDAJSDIUHRRZJL-NRFANRHFSA-N 471.583 2.862 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)c2)CC1 1507902736 MQADLEOYZGLBPM-OAQYLSRUSA-N 459.616 2.565 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1507944600 SRHBWVRKCDBOIC-OAHLLOKOSA-N 499.012 2.609 30 10 JFEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1507971506 NDFRAUNMADARIA-NRFANRHFSA-N 461.570 2.930 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507973631 MGYMEARHPOPVEZ-CYBMUJFWSA-N 472.384 2.750 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1508076589 HNNRJYVIFXSTSI-UHFFFAOYSA-N 479.585 2.860 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCCO1 1508090578 HUZVTVWTUYWWOZ-GOSISDBHSA-N 478.391 2.927 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)cc1 1508096471 HASUGGPWYVCCAS-IBGZPJMESA-N 488.658 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCOCC1 1508134140 BNHZHIFNGQRUFR-UHFFFAOYSA-N 459.597 2.814 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1510192824 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C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 1539239907 STEXKCPJNIXKOT-FQEVSTJZSA-N 452.578 2.656 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539305461 BSDBLCKAZJLPLN-QFIPXVFZSA-N 465.565 2.780 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1N1CCOCC1 1539417805 VDFPLIYUIJFDBR-UHFFFAOYSA-N 481.000 2.888 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1539526080 JFKBPLFCFWZKGH-UHFFFAOYSA-N 475.565 2.533 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1539642306 IJYBIXMNXOCCFX-NQIIRXRSSA-N 451.637 2.510 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539693151 AYNRFDVTEZDJKY-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539742667 JJWHGCLQKAGCFM-UHFFFAOYSA-N 461.570 2.667 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539896799 SFAWZZMZLHCCMN-LJQANCHMSA-N 457.550 2.894 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1cn[nH]c1 1540198042 BUBRWIGSDLUFFP-IBGZPJMESA-N 459.595 2.997 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1540862698 HGJJFDRNPLCHHC-HXUWFJFHSA-N 492.580 2.893 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1540871721 RUNRJTFKDQXREG-BZSNNMDCSA-N 462.595 2.514 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)cc1 1540876980 HSCXHJUVMJDZGB-FQEVSTJZSA-N 482.629 2.719 30 10 JFEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1540880615 MBTNSVVBUPSREW-UHFFFAOYSA-N 465.558 2.511 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1540908984 UCZITNWEORSGOD-IRXDYDNUSA-N 466.629 2.797 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540920589 ZQVIIMNYPQFCLF-QGZVFWFLSA-N 464.636 2.765 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1545712709 DOLRKAWZMOLCKP-DWLFOUALSA-N 467.593 2.992 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474.627 2.652 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1588399280 OEBZXZYYYVVYDD-HXUWFJFHSA-N 469.590 2.555 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(C)(C)C(=O)NC)CC1 1588769406 SGGWIEOOMOFHJC-UHFFFAOYSA-N 493.837 2.888 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2c(C)nn(C)c2C)CC1 1588864387 DGXIIVUHMUUBFQ-UHFFFAOYSA-N 498.429 2.773 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOCC2(CC2)C1 1588975747 LHAIEGWGYMXZAQ-UHFFFAOYSA-N 460.003 2.845 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1589366970 OBIBMLIYZKSLMA-HOTGVXAUSA-N 465.396 2.560 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1N1CCOCC1 1589589771 OCPSVNIWKWZDHC-UHFFFAOYSA-N 462.558 2.608 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1593600044 CAOLNQJOADBQKB-SFHVURJKSA-N 465.558 2.936 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1593695344 DIBCQEFLNCQMEK-FPOVZHCZSA-N 457.575 2.579 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1594627870 XNPXGUPVXOYWRY-LJQANCHMSA-N 469.652 2.751 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595243575 BAGOKFWVNBUONG-GOSISDBHSA-N 459.572 2.956 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1595640398 WJWOTPBPIQKNJO-IBGZPJMESA-N 469.586 2.804 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@@](=O)C(C)(C)C)C1 1595722552 KYCTXXQHWFSNNC-GEMQDWRSSA-N 487.674 2.781 30 10 JFEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1611624819 AAYZPHFJGVKUEI-SJORKVTESA-N 490.630 2.847 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](OC)c1ccc(Cl)cc1 1613594313 GOXPFDZCNYPZSG-RBUKOAKNSA-N 460.966 2.966 30 10 JFEE COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OCC(F)(F)F 1629018489 GINSDUKAMZIKSR-GFCCVEGCSA-N 457.430 2.813 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 1633282649 YMBBGVDSDKPQMC-LSDHHAIUSA-N 457.618 2.707 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1 1634601473 PRTSUVOGTSVBPY-UHFFFAOYSA-N 452.536 2.988 30 10 JFEE COc1ccc(-n2ccnc2SCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1638202701 CPQHIQCKRJNKEG-CRAIPNDOSA-N 457.556 2.848 30 10 JFEE C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 1661392378 GXPJSDXNSBYNSM-INIZCTEOSA-N 455.515 2.956 30 10 JFEE N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1Br 1663501311 FFVLKBJWMSVCSF-SFHVURJKSA-N 450.289 2.744 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCN(CCC)CC1 1689924896 YCTRNPGMAXJQBE-UHFFFAOYSA-N 457.648 2.962 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N(C)C)CCOCC1 1690039512 IVFPINLWTVUBDU-UHFFFAOYSA-N 451.571 2.536 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2F)n1 1690109281 MPIYJYNGXVHHKR-HXUWFJFHSA-N 485.951 2.553 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nccs2)CC1 1690140246 RQOAONCRGSBINY-UHFFFAOYSA-N 450.568 2.619 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1690308272 HXCIFBBWLYQVAA-UHFFFAOYSA-N 482.585 2.902 30 10 JFEE C=C(C)COCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690320109 JTHRFQDUUMEXGJ-XMMPIXPASA-N 478.638 2.542 30 10 JFEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690454247 ZTHPUPJVBOPSNJ-KRWDZBQOSA-N 465.396 2.744 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1690464575 FSFIEVHDADGYQV-HXOBKFHXSA-N 462.595 2.645 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1690627585 GVGLRXZTMRAHJE-HNNXBMFYSA-N 451.568 2.764 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1690632694 LGDLEHULENVTIQ-GOSISDBHSA-N 498.447 2.770 30 10 JFEE C=CCOc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCNC(=O)C2)cc1 1690679947 DJCVIKNHABSCLE-UHFFFAOYSA-N 496.612 2.942 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC(C)CC2)C1 1690795722 CLTNRSXKWNLMQA-HSZRJFAPSA-N 479.629 2.765 30 10 JFEE 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2.528 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCOc2ccc(NS(=O)(=O)c3ccccc3)cc21 1858468258 OEIJVEBMSUPTPA-UHFFFAOYSA-N 455.517 2.947 30 10 JFEE CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C(=O)OC)C2)c(C#N)c1C 1859475729 JBIHILIZZVLMDC-CYBMUJFWSA-N 455.492 2.883 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C 1862410733 QHHRQSTVCCJIPF-QFIPXVFZSA-N 498.532 2.744 30 10 JFEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1862629000 LMMOFIXBPPLBPW-VLIAUNLRSA-N 451.431 2.871 30 10 JFEE CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862681827 HOVYUTRQBAKWGN-JOCHJYFZSA-N 470.497 2.841 30 10 JFEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O 1862754261 HYCAWRLDHPHVNX-FQEVSTJZSA-N 455.467 2.839 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1cccc(OC)c1OC 1864656472 QQZIJUNTZIMLFP-IBGZPJMESA-N 461.522 2.844 30 10 JFEE Cc1nnc2sc(CCC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccccc3C#N)nn12 1867041659 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C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1539470068 XQRRADBNEFJWTC-KCWPFWIISA-N 494.640 2.731 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2c(CC)nn(C)c2CC)CC1 1539475699 MVJVFMOXZWNAHA-UHFFFAOYSA-N 489.624 2.826 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1539480577 CHJUBCAPHGOYLW-DHIUTWEWSA-N 482.604 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CSCCS2)CC1 1539484465 PZJAJWZJJUIRJD-JOCHJYFZSA-N 499.706 2.886 30 10 JFEE C#CCSCCn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539531596 XRFUTHGYLCIKPE-YLJYHZDGSA-N 475.581 2.758 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)C1 1539622055 VCMYRJUKHSNQDB-IFXJQAMLSA-N 476.375 2.634 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539682098 IIBAGAFKBUDEHF-XMMPIXPASA-N 465.558 2.538 30 10 JFEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1539779804 GXICDWVDESBMAT-CQSZACIVSA-N 458.719 2.550 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1539912735 PUIUWSRPDLZDLK-MRXNPFEDSA-N 459.620 2.507 30 10 JFEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539965825 BLCCPNIVEMBQQN-YLJYHZDGSA-N 461.588 2.665 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539966554 LEVODXVYZRJYKV-BDTNDASRSA-N 478.707 2.531 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540042311 NKENFHVTBIQQJW-UUOWRZLLSA-N 490.605 2.974 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1540186900 IBBCAMSKZCEVPR-OAQYLSRUSA-N 489.573 2.627 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1540862481 CEUKUPULLFTZQN-FUHWJXTLSA-N 474.993 2.726 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1540867575 AAALDMKGJIKBMQ-OAHLLOKOSA-N 453.465 2.804 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2Cl)C1 1540882713 NISCFMXHHFYXTF-ZIAGYGMSSA-N 457.959 2.510 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 1540890177 AZYRXXNHNILIJG-ZWKOTPCHSA-N 456.534 2.784 30 10 JFEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1540916989 LDCHDNBENNPRRV-INIZCTEOSA-N 463.554 2.942 30 10 JFEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2ncc(C)s2)CCO1 1541082517 HSOCUQPBBMSHNC-KKSFZXQISA-N 495.609 2.639 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(-c3cccc(Cl)c3)no2)s1 1543911228 OYRYVGOHOVELLB-UHFFFAOYSA-N 452.945 2.775 30 10 JFEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(C)(C)C 1554636354 FKYVZZRFEXNXIZ-GCJKJVERSA-N 479.629 2.667 30 10 JFEE COc1cc(NC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c(F)cc1C#N 1563098872 GDIFQHHWGZTXGF-KRWDZBQOSA-N 456.474 2.702 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC(OCC)C1 1587633261 SUZVRYIVHJZCNJ-GBURSHPISA-N 461.607 2.781 30 10 JFEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1587847808 SMIWNDFTONZAOX-ZWKOTPCHSA-N 454.575 2.940 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1588084647 SWDODZQOWSRNCS-CPJSRVTESA-N 483.613 2.838 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CCCS1 1588646304 IQGBNCUIQYRVBY-JPYJTQIMSA-N 479.647 2.958 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2C[C@@H]2C)CC1 1588898848 FGTJUPBRUOTGFK-LPHOPBHVSA-N 467.570 2.593 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1589070655 VSFSNJREUATFOZ-PZJWPPBQSA-N 460.692 2.612 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1589215455 AJNYZHTZYYZSBH-WZONZLPQSA-N 479.647 2.819 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1594461930 ZLCKHZRFUUVLLS-GOSISDBHSA-N 459.616 2.913 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595497074 PFMPOOVFWPFAQJ-MRXNPFEDSA-N 492.527 2.952 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1595561761 BCISUFRRJFMFKK-UHFFFAOYSA-N 493.999 2.572 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1595766557 SNBOBWGFTGZMTK-IAGOWNOFSA-N 476.599 2.664 30 10 JFEE COc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)N2CCCC2)cc1 1619157823 DZWBXRZZIYCJHW-UZKOGDIHSA-N 486.642 2.764 30 10 JFEE CO[C@H]1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1619484769 FNZVXHGKGBMNRQ-CTNGQTDRSA-N 472.615 2.750 30 10 JFEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CCC1 1620148679 AHOMTSWLMCBLTL-INIZCTEOSA-N 469.489 2.552 30 10 JFEE C#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@H]1CCCO1 1625619933 RSJAHISYVNZJHJ-VQTJNVASSA-N 456.520 2.559 30 10 JFEE C#CC1CCN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)CC1 1638866026 KBTQSABKTCGZAU-HXUWFJFHSA-N 452.580 2.985 30 10 JFEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)cc1 1668210582 TYSHBEMOXRMHAK-UHFFFAOYSA-N 450.539 2.974 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1690154453 OPPLXZPHPKSWFU-NHCUHLMSSA-N 455.534 2.622 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690238860 OMCXDQBLUOLBKR-DAYGRLMNSA-N 477.407 2.979 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690277454 WXVFZJVINNJEPY-UHFFFAOYSA-N 456.591 2.529 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1690284531 GLYWCQMGWDMWGY-LJQANCHMSA-N 465.602 2.798 30 10 JFEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)C(=O)NCC)CC1 1690365996 MVJJXNZNHHAPSR-UHFFFAOYSA-N 473.647 2.865 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1690556084 MMNWBFQWEDAEAE-LJQANCHMSA-N 470.574 2.955 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2ccccc2)C1 1690662170 SZGUHXCYXZUNJI-LJQANCHMSA-N 485.386 2.926 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)Oc2cccc(F)c2)C1 1690700596 VEZIZPWCIOTLPC-SLYNCCJLSA-N 478.590 2.958 30 10 JFEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)c2ccccc2n1 1692985160 DQEHCRSSRIYHKO-WMZOPIPTSA-N 467.599 2.679 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1694323281 CBZKTNDXCLYKLF-LJQANCHMSA-N 494.644 2.995 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1c(C)nn(C)c1C 1698058329 DZVZNTZFZYZMEZ-UHFFFAOYSA-N 464.574 2.912 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(OC)CCCCC2)c1 1705503941 JAIFZIGLYLMYAS-UHFFFAOYSA-N 478.597 2.920 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705532820 RHFWNCQBEMXOOC-NRFANRHFSA-N 486.661 2.965 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705546260 GSPXFJKGBOIZKU-OALUTQOASA-N 471.675 2.984 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1705562983 OAXFTZIUKTYCNG-GOSISDBHSA-N 458.584 2.779 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CC)CCOCC1 1705619501 SNTPMQURIILHEP-SFHVURJKSA-N 477.606 2.874 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCN1CCC 1705626631 DDYDPNPJGAPXLG-LJQANCHMSA-N 463.586 2.944 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1705626831 KLLOORUAXOSYAJ-UHFFFAOYSA-N 474.569 2.587 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccccc2C)CC1 1705648828 ZYFFULHJUJACTK-OAQYLSRUSA-N 451.571 2.525 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1705674799 REAMYQUSOQAKGO-WZONZLPQSA-N 455.563 2.544 30 10 JFEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705685975 NAUYRWOHXDWZMT-UHFFFAOYSA-N 466.405 2.883 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1nncn1C 1705691227 CGPYTZWBNUCICE-ZDUSSCGKSA-N 477.392 2.648 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705729452 YMSJOMPEVBUCRJ-FQEVSTJZSA-N 461.513 2.963 30 10 JFEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705794100 VWNUOGNMPVEPDB-UHFFFAOYSA-N 458.651 2.594 30 10 JFEE 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451.615 2.913 30 10 JFEE C#CC[C@H](COC)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC 1149979630 QHRRPELXQVPGGW-GOSISDBHSA-N 451.548 2.700 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)n[nH]2)C1 1168716204 GCKAGCOPCSYOFH-GOSISDBHSA-N 450.543 2.968 30 10 JFEE C#C[C@H](NC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)c1ccc(Br)cc1 1230498390 CPXSFQSHEJSXTC-PMACEKPBSA-N 455.356 2.677 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCCCC1=O 1286359467 WWDYLVCTANXEPI-UHFFFAOYSA-N 456.978 2.724 30 10 JFEE C#CCN(c1nnc(C2CC2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389279 HEBIKZRXVJEILG-UGKGYDQZSA-N 455.628 2.693 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286398575 ZBTGATJAYLFBFV-DHIUTWEWSA-N 499.681 2.975 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1286449977 AWRHZOZXLISNTI-VGOFRKELSA-N 481.018 2.697 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1286491616 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472.659 2.919 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 1300483334 JLUZQQJBCATJAG-HKUYNNGSSA-N 461.657 2.538 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1300485027 TUSRWVJACOQZSS-FXAWDEMLSA-N 499.568 2.636 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1300504079 JLSIXFGOECOLHH-RBUKOAKNSA-N 480.585 2.592 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1300574888 OEXFIEYOOIGXBC-SANMLTNESA-N 474.565 2.504 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300666033 VFEGTPMWEUIIQX-FQEVSTJZSA-N 460.586 2.840 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC(F)F 1300779461 BBYIZXMROSQHEX-QVKFZJNVSA-N 467.542 2.725 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1300805836 JMSQACZIJPCGBZ-FDDCHVKYSA-N 459.591 2.884 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1301160033 KLLVUAPEGJOZJP-UHFFFAOYSA-N 453.570 2.998 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)nc1 1301357489 NVHUZJKYZJNLQV-UHFFFAOYSA-N 474.550 2.722 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301458600 YJKIDRHAVYEZCU-JKSUJKDBSA-N 474.528 2.845 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1301596611 UGWVUHXWXNQKRC-FSGKZVOOSA-N 452.621 2.618 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1301965073 HFIYEFLLNBIBMW-QYZOEREBSA-N 492.628 2.676 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1302313526 BOOGDCKUFIIYGN-IBGZPJMESA-N 459.572 2.744 30 10 JFEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1OC 1313781562 CRYGYRZIDYVIGY-BAGYTPMASA-N 455.559 2.786 30 10 JFEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1)OC 1315792780 FMGZKAWUULZJHM-HXUWFJFHSA-N 465.533 2.729 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1358962983 ZYSCWICBGHSDMT-WMZOPIPTSA-N 466.966 2.640 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1358965159 OZCPUXPRTUJGCT-LJQANCHMSA-N 473.961 2.731 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(C)CC1 1358987792 SEVLZNWFYODMOJ-UHFFFAOYSA-N 467.639 2.934 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1359029232 RQBDUPDXVPEEEM-ZJSXRUAMSA-N 450.631 2.552 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1359031153 RMTLPUKVXVSXFE-IPVFLDMMSA-N 473.662 2.915 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359126606 UDSLOKBJTWJBEW-FYYLOGMGSA-N 482.629 2.897 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1359299120 VXZJCYHVEURGBQ-QGZVFWFLSA-N 450.547 2.841 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359305074 SEJNOMFQTVGOCF-GOSISDBHSA-N 472.615 2.896 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359309930 HPLWTODVXIWHFM-VQTJNVASSA-N 466.586 2.585 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359310337 SZUGMQSHNSFWSZ-CBNMVNINSA-N 466.586 2.726 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(O)cc2C1 1359329811 VSSYFRANLNQGOO-UHFFFAOYSA-N 459.959 2.863 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(F)c(Cl)c1 1360240233 DOFCOCXCAYTAFR-HNNXBMFYSA-N 497.966 2.634 30 10 JFEE C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(S(C)(=O)=O)cc1 1438582680 GSELPMJQDIZNMU-PBHICJAKSA-N 459.955 2.888 30 10 JFEE C#CCN(C(=O)[C@H](C)n1cnc2c(N)ncnc21)[C@@H]1CCOc2ccc(Br)cc21 1465179571 HFYBYCQCRXUYRM-SWLSCSKDSA-N 455.316 2.718 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1 1469507089 DGCKPYVPECHOCM-CQSZACIVSA-N 457.599 2.510 30 10 JFEE CC[C@H](C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1496162564 FSWWICMVIXEEEK-NZQKXSOJSA-N 451.619 2.706 30 10 JFEE CC[C@H](C)N(C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1496178147 COMGVEZFCZDDLR-FQEVSTJZSA-N 459.602 2.587 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1502340545 HJFMAYOPRBJYSH-NTKDMRAZSA-N 450.566 2.532 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCN2CCOC[C@@H]2C)c1 1507550678 OUDAZRWGFVNMQK-IBGZPJMESA-N 450.587 2.713 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507591294 KMUKTMGPUPBEQG-OALUTQOASA-N 456.591 2.521 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1507668626 AJRGDGRVSMVFGD-VXKWHMMOSA-N 484.645 2.576 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN/C(O)=C1/N=CC=CC1=O 1507687568 QRYRAMQPJFZMNP-LNVKXUELSA-N 457.494 2.586 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(COC)CCOCC1 1507704041 NGBMLZNLTQATLT-UHFFFAOYSA-N 480.407 2.575 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN(C)CC(F)(F)F)CC1 1507722676 DYOHCCJQFXYLSP-UHFFFAOYSA-N 480.535 2.602 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507745464 ZAIHVACFMODLPE-UHFFFAOYSA-N 465.627 2.766 30 10 JFEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507749748 XBUALQXDVHICOO-KRWDZBQOSA-N 461.588 2.943 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507755520 AKHLBTNFTXZRHO-UHFFFAOYSA-N 498.653 2.960 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1507795788 KEJVUYJWOMHMTD-CVDCTZTESA-N 469.586 2.666 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507827290 DRNFQBWCUKAKFZ-LJQANCHMSA-N 458.994 2.926 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507847244 DOIRUHAVYRPTCZ-NRFANRHFSA-N 490.004 2.931 30 10 JFEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507857875 VZWXCRLMYMTAKF-INIZCTEOSA-N 450.927 2.989 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507943562 ZXVFLRXUGKMGEJ-UHFFFAOYSA-N 480.529 2.877 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCSC1 1507998997 KGXPGDSJSRPGFB-RUZDIDTESA-N 479.654 2.902 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1508121832 HBUCEGDUGZEEPD-LEWJYISDSA-N 460.600 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(CC)C(=O)C1 1508131594 NPJNAPVJPJVWOD-HXUWFJFHSA-N 489.642 2.694 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2ccsc2)CC1 1508135110 JXRPYPJKPGAYDL-UHFFFAOYSA-N 487.651 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1508144201 RSEDGCONYFDOKP-UHFFFAOYSA-N 475.018 2.683 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1508146563 YWYJWZYSNPZVQC-MOPGFXCFSA-N 497.662 2.814 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508159457 UXXIDVJRJCORCL-IBGZPJMESA-N 477.656 2.877 30 10 JFEE C[C@H]1CCCN(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)C1 1512222726 HDIBQUVIWYNFDU-IBGZPJMESA-N 485.658 2.667 30 10 JFEE 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2.917 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1593776663 NYXTXMGUXAPLHF-VXKWHMMOSA-N 475.634 2.966 30 10 JFEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1594608321 IZTRWCOPUSTMKO-SFTDATJTSA-N 466.634 2.908 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@]2(CCOC2)C1 1594812218 DDRDZJQMSQPXTE-NBGIEHNGSA-N 491.633 2.981 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C2CCOCC2)C1 1595490672 WRLSYSWXQIMNAM-INIZCTEOSA-N 477.407 2.601 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1595522548 FPNUMEAQINQXQY-KRWDZBQOSA-N 471.949 2.985 30 10 JFEE N#Cc1cccc(-c2cnc(CNC(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)[nH]2)c1 1595534469 IDFRZJIGSSPMFT-UHFFFAOYSA-N 458.522 2.519 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1595593558 GCUGHUHETAFCLZ-DEOSSOPVSA-N 457.575 2.809 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H]2COCCO2)C1 1595679704 AFEWYYROWSESLH-SJORKVTESA-N 466.380 2.633 30 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2.842 30 10 JFEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1644971518 XTTWUJRPSUWSPU-ROUUACIJSA-N 453.564 2.648 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 1654456257 SHINYXGTXTXNCW-IBGZPJMESA-N 453.564 2.907 30 10 JFEE N#Cc1c(F)cccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1656388897 DCYFFLOVTFOTJU-UHFFFAOYSA-N 453.495 2.762 30 10 JFEE C=C(C)C[C@H](NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1665221301 ASRRCUJXXHSZCD-FQEVSTJZSA-N 452.573 2.853 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](c1cccs1)N1CCOCC1 1689824176 JODWSTWZFOLYPY-IEBWSBKVSA-N 458.632 2.789 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1689863578 XAOYGGZVKDZJFD-GJZGRUSLSA-N 467.389 2.512 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccccc1)N1CCOCC1 1689867793 XWABUEDFJDPLOQ-UDIDDNNKSA-N 453.587 2.534 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1689984733 UHQQVPFVLAZYRT-LJQANCHMSA-N 471.608 2.588 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCn2ccnc2C1 1690035591 DIQJAVIEEKNCNE-QGZVFWFLSA-N 466.387 2.968 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1690098260 BRDIXOGUDDFYOG-KRWDZBQOSA-N 471.558 2.921 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690226640 HBWUMELSCOJKSG-UHFFFAOYSA-N 485.390 2.991 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCOCC 1690245724 MDWHEUIHVSVZEP-RTWAWAEBSA-N 455.607 2.906 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690306924 JZHACPZHEQUGHX-UHFFFAOYSA-N 463.586 2.918 30 10 JFEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](COC)C1 1690309797 KUKOLWKWEHKYMJ-GOSISDBHSA-N 452.559 2.740 30 10 JFEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690317449 ZZFWCIKHSNPKRH-UHFFFAOYSA-N 480.617 2.739 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1690464812 KTNFLECCVNNZSO-RTWAWAEBSA-N 455.584 2.986 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)N2CCOCC2)C1 1690687424 BABXXCGJVQCOII-LJQANCHMSA-N 490.402 2.738 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(Cc2ccsc2)CC1 1690726926 QPVBIMJYKRSWEF-UHFFFAOYSA-N 463.673 2.995 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1690742406 PQBFSMKSOVBCHV-UHFFFAOYSA-N 464.599 2.871 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1690746494 AXIPGQUZOWNACB-HKUYNNGSSA-N 497.712 2.803 30 10 JFEE CC(C)(C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1691206295 BLTUDQKSTRXPRY-UHFFFAOYSA-N 476.560 2.982 30 10 JFEE CO[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1697151768 HZRKUQYUHLSGSE-NRFANRHFSA-N 474.631 2.996 30 10 JFEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705512597 IMRPNIUMQQCHAR-HYBUGGRVSA-N 459.598 2.609 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705537661 NCQHCRQUDBQBFI-NRFANRHFSA-N 453.587 2.828 30 10 JFEE 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COc1cc(OC)c([C@@H]2c3c(O)nc(N4C[C@H](C)C[C@@H](C)C4)nc3NC(=O)[C@H]2C#N)cc1OC 256032813 IODAFZDEMYXXGW-BFDPJXHCSA-N 467.526 2.914 30 10 JFEE NC(=NO)c1c(Cl)cccc1-n1cnc(I)c1I 310665763 LSFTXBWQZJLKSM-UHFFFAOYSA-N 488.454 2.829 30 10 JFEE COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccccc3)c2=O)cc1 593279247 WTUKMQONIRTFDM-UHFFFAOYSA-N 462.571 2.711 30 10 JFEE Cn1c(=O)nc(O)c2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2CCCOc1ccccc1 606631321 YDOIIAHCDHBZAN-OEAKJJBVSA-N 463.454 2.659 30 10 JFEE N#C[C@@H](NC(=O)c1cc(I)cc(I)c1O)C1CC1 701292898 LUMUIDMMXRCQLA-SNVBAGLBSA-N 468.032 2.633 30 10 JFEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 744686565 HPDQKERGEFOLCL-VVHFOWEKSA-N 492.417 2.634 30 10 JFEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)c(OC)c3)n2)c(OC)c1 1084470162 MSWAEQBTKZFFJH-UHFFFAOYSA-N 458.500 2.713 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cccc(C(=O)N3CCCC3)n2)n1 1136554260 WGCFUUFLSVUSER-UHFFFAOYSA-N 455.569 2.683 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1286296435 OPPIJPBVIUONIT-QZTJIDSGSA-N 492.621 2.911 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOCC2)c1 1286310643 XAOFVESIDYKBOV-UHFFFAOYSA-N 493.999 2.772 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](CC(C)C)NC(=O)OCC 1286370058 YZXNYBVBBKDVHQ-GOSISDBHSA-N 479.585 2.905 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCOCC1 1286425890 AYCLMNOBQMBHFY-UHFFFAOYSA-N 476.606 2.567 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCO[C@@H]1C(=C)C 1286458793 BRAUBSLLSVCLSG-WOJBJXKFSA-N 486.642 2.614 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C(C)(C)C)no1 1286462135 DHDREIBWIXDMGE-UHFFFAOYSA-N 475.553 2.612 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1286484550 MEONMAQTWOBBJS-FQEVSTJZSA-N 483.686 2.535 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1286486184 CGIIDIOTFCTFJR-UHFFFAOYSA-N 453.550 2.729 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1286489942 IKGNCPCMBFSMER-FCHUYYIVSA-N 450.587 2.757 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286507524 JNEUEVQWBFQNGN-UHFFFAOYSA-N 463.567 2.865 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(=O)(=O)CC 1286549682 GLNGALGSXSEAPH-PXNSSMCTSA-N 462.572 2.526 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1286678418 WLOVTTLYWFFZME-QHCPKHFHSA-N 493.656 2.521 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1286746459 YKLPFBNOHNTYCW-DHIUTWEWSA-N 487.670 2.730 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286783805 MIMQIDSDMMKCIR-OAHLLOKOSA-N 475.981 2.647 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)COC)C1 1286811119 ZVKCPVYVISQIOH-HXUWFJFHSA-N 455.607 2.906 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1288145043 HUOCNVXNYAGLDG-DHIUTWEWSA-N 479.629 2.551 30 10 JFEE CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 1291568424 BMVHJIOTSUDJKP-OAQYLSRUSA-N 479.629 2.624 30 10 JFEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)o1 1292692644 CUOZQKPLFOHNSW-IAGOWNOFSA-N 486.598 2.894 30 10 JFEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nc2ccccc2n1C 1292871878 HDQUQGBMUWTIDB-GOSISDBHSA-N 453.568 2.685 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300402984 GVYLMDOZYCXBEH-FQEVSTJZSA-N 475.597 2.783 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1300454860 AMDGFXOETYKGMV-UHFFFAOYSA-N 475.597 2.954 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300499929 ZPGJSIHOABVFOR-FQEVSTJZSA-N 463.003 2.576 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCS1(=O)=O 1300557881 ZCLAOPVLSLJXKT-WIYYLYMNSA-N 458.559 2.987 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncn(-c2ccccc2)n1 1300657685 PPYBNMVSMUZCLW-UHFFFAOYSA-N 481.358 2.751 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)cc2OC)CC1 1300685234 JVBRIZGEHWMNMU-UHFFFAOYSA-N 485.386 2.856 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCn2ccnc2C)CC1 1300726992 UANFZKHIGXTTOY-UHFFFAOYSA-N 477.588 2.959 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2OCCC2(C)C)CC1 1300730974 IVFXXZDJHQBMMQ-QFIPXVFZSA-N 481.597 2.647 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1300884873 MLUGHIQSDQWPTP-HBMCJLEFSA-N 455.584 2.669 30 10 JFEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301225284 AVFJEYIKHGPWKN-FQEVSTJZSA-N 459.616 2.848 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1301238987 JAEQNXSNGLZMDW-XMMPIXPASA-N 455.559 2.736 30 10 JFEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301313952 JMMPXKMOWJHIAA-IAGOWNOFSA-N 463.579 2.994 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301509889 PDCVHHLHOQDACK-UHFFFAOYSA-N 495.628 2.504 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301577263 MDCIFBLIJVJOSF-HXUWFJFHSA-N 489.642 2.628 30 10 JFEE CC(C)Oc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1303516317 BLKURJGWWKWCJG-RUZDIDTESA-N 475.553 2.661 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1303939154 AADUFXAXEZZHBW-RXVVDRJESA-N 463.508 2.657 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CCN1C(=O)OC(C)(C)C 1305153402 CHFNIHPSNFPRMS-GOSISDBHSA-N 477.573 2.944 30 10 JFEE CCCNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1313480245 BTYUXXBXQLOMES-NRFANRHFSA-N 469.565 2.773 30 10 JFEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@H](C)C1 1314515135 DGSAYHBBTBVMJL-VQTJNVASSA-N 488.658 2.577 30 10 JFEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1315979859 GXECXCZNHPFIBA-URXFXBBRSA-N 467.526 2.687 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)CC1CC1 1358896337 BIQPXZFPHQFQTB-OAHLLOKOSA-N 481.416 2.902 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2CC(F)(F)C2)c1 1358900507 MAQZIZLBGSOZOZ-UHFFFAOYSA-N 456.497 2.616 30 10 JFEE C#CCCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936126 DMOGBMUDGYTQLS-QHAWAJNXSA-N 483.617 2.873 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1358957367 TWUOLTNWWYCLQK-SBHAEUEKSA-N 455.628 2.870 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCn2ccnc21 1358968311 GXGCOXBGXADBLL-LJQANCHMSA-N 461.957 2.708 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1(O)CCC1 1358991865 RDBQZYHSTDDDII-UHFFFAOYSA-N 458.566 2.833 30 10 JFEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359006704 GTGCXDHRKHNGML-QHCPKHFHSA-N 474.613 2.533 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cccnc2OC)CC1 1359041050 MEUHGRMKTCEKMI-GOSISDBHSA-N 492.555 2.975 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)CC1 1359043184 KNYCJYDNGPDCGM-UHFFFAOYSA-N 457.538 2.630 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359103317 MQWQCZCXSGPTQS-GPXNEJASSA-N 471.650 2.668 30 10 JFEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1359154012 ARHPYANDAKZNEJ-UHFFFAOYSA-N 481.359 2.908 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCO[C@H]1C 1359255862 MXMLVABFRLNQBF-OWAUWMPXSA-N 467.570 2.534 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ccc(OC)cc2)CC1 1359306528 JOKWRLFBTAPHQV-REWPJTCUSA-N 469.586 2.697 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1359471848 AODKKQDLZBQVDU-HKUYNNGSSA-N 494.662 2.813 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1359471850 AODKKQDLZBQVDU-MJGOQNOKSA-N 494.662 2.813 30 10 JFEE N#Cc1ccccc1OCC(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1448501284 HFYXQJUKYZZSPM-UHFFFAOYSA-N 452.312 2.924 30 10 JFEE C#C[C@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)c1ccc(Cl)cc1F 1467934925 GSMHKLNAUMDYPR-AZUAARDMSA-N 454.889 2.819 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O 1469995589 BDUSDJNPZDYTCW-INIZCTEOSA-N 450.333 2.541 30 10 JFEE Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC23CCOCC3)cn1 1475314055 BZLYRLUDBWFYCT-KRWDZBQOSA-N 454.474 2.895 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)CC1 1476179685 KEFMZTSBCLNPKG-UHFFFAOYSA-N 455.536 2.876 30 10 JFEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 1504044454 GEXKDWCYGWUAKE-XMMPIXPASA-N 468.558 2.679 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1507554837 ZOCMBFBABNPDNQ-UHFFFAOYSA-N 463.586 2.945 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC(C)(C)C1 1507619224 YSWBWAZWTQHRDZ-UHFFFAOYSA-N 462.392 2.800 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1507626891 QKGPFCKGQSVJQG-IAGOWNOFSA-N 468.526 2.598 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507628163 GLAIFUMUULEYEP-PMACEKPBSA-N 485.585 2.907 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1507629124 RKFBFRIYDHAQMS-INIZCTEOSA-N 496.008 2.527 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1507630045 YSFOSQUPIYEKBI-MRXNPFEDSA-N 479.393 2.660 30 10 JFEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1507631922 VAKLGDFJTCAODK-JNLAIUADSA-N 494.621 2.658 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[S@@](=O)C(C)(C)C 1507662725 VUJIVYPPYILYOR-MGBGTMOVSA-N 472.611 2.981 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@H]1C(C)C 1507665163 KUBIEIQNUDBKNX-FPOVZHCZSA-N 468.627 2.762 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](C)N1CCCCC1 1507673567 XFLRWJDLMKXLEJ-HXUWFJFHSA-N 452.628 2.997 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507722749 HFLUNBNSLVFACO-BJKOFHAPSA-N 467.614 2.665 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCOC[C@@H]2CCCO2)CC1 1507735876 AFTFJNVNWBMQST-FQEVSTJZSA-N 469.561 2.636 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1507741637 YEWOROYYVKADEI-HSZRJFAPSA-N 492.624 2.626 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1507771444 ADSIVVUFASYXGM-OPAMFIHVSA-N 473.603 2.787 30 10 JFEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507861129 APQGGODKITXPTA-UHFFFAOYSA-N 462.938 2.743 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1507869761 XIFFYIGKEWUPJV-DLBZAZTESA-N 455.003 2.869 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507904599 ZDQNERYRMXXFBD-MOPGFXCFSA-N 479.647 2.982 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2C[C@H]1CO2 1508094466 NXBFMIFEDMLIAO-GJZGRUSLSA-N 452.342 2.834 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 1508095240 UERAFWQFQCRXEJ-UHFFFAOYSA-N 463.007 2.618 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccsc1 1508131834 QWBVFHQPYWJWRD-QGZVFWFLSA-N 472.596 2.929 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508135718 OGEPQYRMIQKDSX-WMLDXEAASA-N 492.495 2.926 30 10 JFEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C 1517346912 HHCSNKICMDOLBT-IBGZPJMESA-N 458.613 2.662 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COC[C@H]2OC)c1 1526670497 MSODCYMDLUMSDI-WOJBJXKFSA-N 450.944 2.865 30 10 JFEE Cc1cccc(-c2nnc3n2C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC3)c1 1532606878 GUIPOTIPCXKLOC-RTBURBONSA-N 450.543 2.787 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3CN(C)CCO3)cc2C1=O 1535488009 DDRBCTFCAWJVRC-SFTDATJTSA-N 453.926 2.924 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 1539039247 ZZOGTZLGIKJREO-NFBKMPQASA-N 478.597 2.631 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCC(=O)NC2CC2)c1 1539043881 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CC(C)c1ccnc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)n1 1723120217 FTXQQVWILRWJQA-FQEVSTJZSA-N 489.628 2.919 30 10 JFEE CCc1ccc([C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1727361605 GMYSMDOQSJPNPO-FGZHOGPDSA-N 467.618 2.791 30 10 JFEE CCn1cnnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1728541707 BCAMCRADNOSUJL-AWEZNQCLSA-N 463.329 2.552 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2Cc2snnc2C)c1 1740564800 YDNYNWXEBGYPRZ-UHFFFAOYSA-N 478.607 2.898 30 10 JFEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740580430 XTGOZXWDPBQZAN-HXUWFJFHSA-N 452.515 2.939 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740582690 HKOUVRQHFMUFAD-UHFFFAOYSA-N 496.417 2.700 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1740622007 RXQSHCZFSZJWOK-AEVNEEFTSA-N 450.568 2.724 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740626340 WUPMILNARIXETF-DNQXCXABSA-N 483.682 2.810 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1740628737 ZXDYAAGYEBOMAF-IEBWSBKVSA-N 464.538 2.667 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC1(N2CCOCC2)CC1 1740631390 AYELYSGPJNNBFL-UHFFFAOYSA-N 454.372 2.645 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC=CO1 1740657602 UEHXVPOOQFGRRG-VQTJNVASSA-N 455.559 2.742 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCN(C)C(C)(C)C2)CC1 1740690855 OYBZDSSBRVWFQO-DEOSSOPVSA-N 493.700 2.816 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC2)CC1 1740706712 ZZMZNUIPJXRKOB-HXUWFJFHSA-N 470.618 2.768 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740720066 VYDGJXKNPWFZOZ-FQEVSTJZSA-N 472.622 2.921 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1 1740763281 JBLRBMFBGCZGSC-ICSRJNTNSA-N 467.540 2.805 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740870480 PIVUECWJILYWLS-UHFFFAOYSA-N 462.514 2.640 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1740914128 MBNZDIUQEFYFCR-OAQYLSRUSA-N 466.586 2.833 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCSCC2)C1 1740978366 SWPNOSWQLUNZOL-IBGZPJMESA-N 459.616 2.792 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740995694 VCYNVSVLUMGVKB-SFHVURJKSA-N 463.629 2.690 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740997668 ZXIOCEJIJSWQGY-UYAOXDASSA-N 490.699 2.788 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1747387488 BGYMNALIQDYZFY-UHFFFAOYSA-N 498.634 2.712 30 10 JFEE CN(Cc1ncnn1CC(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1 1747804622 GFSUKTPIZSZEJD-UHFFFAOYSA-N 454.441 2.863 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1748713173 OZDVVDXEZHWPSX-GOSISDBHSA-N 461.570 2.570 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1748821142 MKEPJEOIMZNLIM-OAQYLSRUSA-N 495.605 2.553 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748824315 NRQDVORLGOVHCH-YADHBBJMSA-N 497.621 2.705 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N(C)C)nc1 1748950290 IPBLMDPMFGDVLF-UHFFFAOYSA-N 458.364 2.631 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1749018899 HVHBXRYHTATWIS-LJQANCHMSA-N 487.988 2.814 30 10 JFEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOC(C)(C)C1 1749037337 AYVUYZUFRBDWOX-NRFANRHFSA-N 471.627 2.704 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749039324 SJCKQUGEIVNSDJ-DLBZAZTESA-N 465.670 2.696 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cl)=C(Cl)C1 1749104020 KCFBCAGEZSQSTC-JTQLQIEISA-N 456.193 2.988 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749234703 INDYIKJIELNTDA-HSZRJFAPSA-N 496.612 2.833 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1749286521 NQFTZPFHLKPOHD-QAPCUYQASA-N 468.574 2.626 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCCS2(=O)=O)CC1 1749287849 CTDSZKXLMXANAK-UHFFFAOYSA-N 466.405 2.900 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749355327 FFOBFUUJIFSQNR-UHFFFAOYSA-N 467.530 2.976 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749402767 SGOGZPMFODBFJK-FQEVSTJZSA-N 463.648 2.908 30 10 JFEE C=CCCOCCn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1749461682 VHMUKQVQCNFUNY-DVECYGJZSA-N 479.622 2.969 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1749599404 DSGUQAHXNPGCGG-DVECYGJZSA-N 479.622 2.837 30 10 JFEE COCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749848593 DKPXUQMIAHYACH-UHFFFAOYSA-N 498.385 2.859 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1751192736 AWSYOXCWAZJNMW-JAXLGGSGSA-N 487.674 2.929 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1COC(C)(C)OC1 1760132154 DLVSPJCYXVWUCM-UHFFFAOYSA-N 460.600 2.987 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1760184757 YRJMRMSGLVZRSR-MRXNPFEDSA-N 451.390 2.839 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1760187014 SLISHZVMBAKDDC-KRWDZBQOSA-N 497.463 2.543 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CSCCS1 1760219068 TZVBNJMSVXCGGP-HXUWFJFHSA-N 467.668 2.764 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1760251593 CSKWXCNGCUCKEH-RTWAWAEBSA-N 498.075 2.737 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2sc(C)nc2C)CC1 1760254760 JVODBBROBMBWSJ-UHFFFAOYSA-N 460.405 2.913 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOCCOC)CC1 1760256479 XRWRNUWMPJKLNG-UHFFFAOYSA-N 468.421 2.577 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760258341 LLMJOVPHEVEBMZ-OAQYLSRUSA-N 485.654 2.560 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOC)CCCCC2)CC1 1760260659 BBNAOSFMKOJNKU-UHFFFAOYSA-N 453.635 2.882 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCC(C)C)cc2)CC1 1760260909 HJLWFHVEANTTLH-UHFFFAOYSA-N 461.614 2.978 30 10 JFEE C=C(Br)Cn1c(N(C)CC2COC(C)(C)OC2)nnc1[C@]1(OCC)CCOC1 1760314271 KWQXMXDSPJCNIL-IBGZPJMESA-N 459.385 2.674 30 10 JFEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1760363093 DWYGTTFNWWELDG-IEBWSBKVSA-N 483.560 2.966 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760380436 BTENADWKZYFBBR-CVEARBPZSA-N 489.042 2.621 30 10 JFEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1760400332 XICYZOOWTTXJIK-UHFFFAOYSA-N 456.572 2.764 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1760469492 IOQHSCQRINEMBE-UHFFFAOYSA-N 466.629 2.717 30 10 JFEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760513993 MWHZCZUNHCPCNC-FQEVSTJZSA-N 470.622 2.982 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1760533013 LPTHAEYOLXDJEY-LJQANCHMSA-N 453.568 2.825 30 10 JFEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760563228 KWRJEGGPZHOABP-UHFFFAOYSA-N 454.644 2.999 30 10 JFEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1768729676 FSWZMSLYWKXBPI-QGZVFWFLSA-N 473.990 2.807 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc3ccccc3o2)n1CC(=O)NCC(F)(F)F 1771109921 BQVCAPFBEOHWLP-UHFFFAOYSA-N 450.421 2.736 30 10 JFEE N#C[C@H](c1cccc(Br)c1)N1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 1857957233 LZMVAWJQKLNKCB-HXUWFJFHSA-N 481.350 2.844 30 10 JFEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc4c(c3)OCO4)cc2)c1 1858678376 QIVSDVRGFONCJE-UHFFFAOYSA-N 478.486 2.727 30 10 JFEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Br)c1 1862565823 HDJLRQUIZIYLRR-SFHVURJKSA-N 458.312 2.746 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(CCC)nn2-c1ccccn1 1864320535 UWHMCLZXEQBVJI-VGSWGCGISA-N 489.576 2.976 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1cc(OC)c(OC)cc1OC 1864872763 OWOYZIPRWAZXFF-LJQANCHMSA-N 456.543 2.878 30 10 JFEE 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474.539 2.945 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(O)cc1O 1874431367 LLQPKAPFGMGNOM-YSURURNPSA-N 468.539 2.555 30 10 JFEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2C)cc(OC)c1O 1874431594 RXAUSZLGMGRUCF-OPEKNORGSA-N 498.565 2.558 30 10 JFEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N[C@@H](C)c2ccccc2)c1OC 1874435987 HCMJDFNTAODDEF-PASSITCSSA-N 496.593 2.783 30 10 JFEE O=C(CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(O)c(O)c1)NCc1ccccc1 1874453810 SNADWSNVZKNLDR-BBMHEYIBSA-N 453.524 2.832 30 10 JFEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 1891940645 QEEIBPDUWOYOBS-QFIPXVFZSA-N 468.579 2.814 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CN(C(=O)OCc2ccccc2)C1 2247915881 LHOHSPPFDGIPCF-UHFFFAOYSA-N 454.332 2.886 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CC[C@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2247934866 GRKYLBDWRJTFEZ-RTBURBONSA-N 451.332 2.568 30 10 JFEE Cc1nc(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255810792 FNDXYTQUSKWUKB-AWEZNQCLSA-N 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CCC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1695112226 AFXAHXMWCOZESX-RBUKOAKNSA-N 461.574 2.840 30 10 JFEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1695498715 FECUWFXHKAHDMS-UHFFFAOYSA-N 477.613 2.770 30 10 JFEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(C)(C)C)cs2)CC1 1695930628 FDECEADPZUVSCN-UHFFFAOYSA-N 492.653 2.877 30 10 JFEE COc1ccc(CCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1Br 1697416340 CYBGFBYBGWGZEQ-UHFFFAOYSA-N 499.417 2.841 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@](C)(CC)O2)c1 1705503890 HSZUBZNCTMMGRZ-RLWLMLJZSA-N 478.597 2.918 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705560708 JQTKRUDEJCQWDV-HZPDHXFCSA-N 497.390 2.652 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1705561717 WBSUCFRPUNMXDF-CQSZACIVSA-N 470.517 2.991 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705568258 JVDLGTNZXABYCZ-SFHVURJKSA-N 490.992 2.607 30 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C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705801190 WUVBQJIMIQKNLL-UHFFFAOYSA-N 459.982 2.924 30 10 JFEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705807804 OQYILKREGDSVOV-UHFFFAOYSA-N 451.619 2.755 30 10 JFEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705820696 WLWVLDVMBYQFGA-NRFANRHFSA-N 452.559 2.610 30 10 JFEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705822652 MFZKPOWEWJQWSF-LJQANCHMSA-N 452.559 2.913 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705932175 NYDNDMYRUNEJQY-INIZCTEOSA-N 475.644 2.682 30 10 JFEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)NCC)CC1 1705943188 QLMKUEKGGBXHOB-UHFFFAOYSA-N 466.615 2.902 30 10 JFEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn2ccsc2n1 1706081849 HLTPVXXPQSYMFP-GJZGRUSLSA-N 469.596 2.832 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(=O)NC1CC1 1722292214 GKBZTADSYYGEBS-KRWDZBQOSA-N 458.607 2.909 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OCC(F)(F)F)nc1 1722345833 JVUNCPUHAXQUHV-UHFFFAOYSA-N 479.484 2.802 30 10 JFEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1722364985 JUMSCKMQRUMXDS-FQEVSTJZSA-N 486.667 2.533 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1722368836 SZLYVZBVVUZADT-UONOGXRCSA-N 489.545 2.670 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nc2cccc(Cl)c2n1C 1722422842 UNDHPTBAUIIZEO-XMMPIXPASA-N 487.004 2.993 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2cccnc2)CC1 1722436559 BKFBVSSVOYAOLL-UHFFFAOYSA-N 479.629 2.786 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](F)C2)CC1 1722441730 SZXSTAYWFXLHNO-ZRNYENFQSA-N 460.598 2.942 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1722467810 FTSSXQDPMVNHPX-HXUWFJFHSA-N 457.380 2.800 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccn2)CC1 1722494220 NJOOHOFIKQLFPQ-UGKGYDQZSA-N 467.618 2.899 30 10 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C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300419975 XMJSGLHGSDOHKL-UHFFFAOYSA-N 472.597 2.726 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1300454911 BIHDRPSODIYTLN-UHFFFAOYSA-N 470.537 2.536 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300481982 CRVVMQOKAADJLS-AQOAWAETSA-N 481.018 2.859 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300483257 JZMVKDAQPMFQLQ-NQIIRXRSSA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300492962 PTPDMOJIQHYROE-INIZCTEOSA-N 468.501 2.858 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300746614 UMNZBFJYYSWAEB-RDJZCZTQSA-N 490.427 2.797 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1300755504 UVQXWKDXNOUPOV-UHFFFAOYSA-N 453.616 2.721 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccn2)CC1 1300765562 HETJXISKEAMKOE-UHFFFAOYSA-N 455.538 2.630 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300777367 UUHBRBVYMHHKPK-KRWDZBQOSA-N 459.572 2.509 30 10 JFEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301239954 YNXSTJDZXICJHI-IBGZPJMESA-N 484.626 2.865 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1301341470 NRYCWJBRZITJIM-PZJQAWQVSA-N 473.537 2.720 30 10 JFEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1301517671 AOYCVSFDOXHSAO-UHFFFAOYSA-N 464.614 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1301584562 BVAZKTMXGRLHHA-IYBDPMFKSA-N 456.572 2.677 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nnc1[C@@]1(OCC)CCOC1 1301596373 MQQDXNYWEWXJHZ-KFKAGJAMSA-N 493.457 2.551 30 10 JFEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)COc2ccc(C#N)cc2)C1 1303217659 DDPIYZPRMOIGHK-UHFFFAOYSA-N 451.523 2.948 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358955901 VXZUJEJQWWEDND-PKTZIBPZSA-N 469.655 2.939 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1358961118 RZBBKQWRFRAUAV-NRFANRHFSA-N 451.596 2.715 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1358966157 IZLQUTLNARRUCM-CPJSRVTESA-N 498.605 2.601 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358967718 QPLVYKRIWNGCDN-KAGYGMCKSA-N 472.611 2.644 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC(C)(C)COC)CC1 1359034107 CWLWEDYOBJWBJI-UHFFFAOYSA-N 491.640 2.883 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1359037360 GTKHYUNHGLBYHD-HSZRJFAPSA-N 462.598 2.723 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN(CC)CC)CC1 1359042845 WFBCVLVFGGGFGG-UHFFFAOYSA-N 458.010 2.691 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1359074129 RPBWIJKMBQRGDN-WZONZLPQSA-N 458.584 2.825 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COCC(F)(F)F)c1 1359239939 ATYGFZXNIOTHMX-QGZVFWFLSA-N 458.506 2.930 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1359262444 SXHRTPFBMMAZAT-OAHLLOKOSA-N 478.648 2.537 30 10 JFEE C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1435028770 VNZZTLMAGCUGEZ-UHFFFAOYSA-N 459.568 2.839 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1442038900 ZTHQVHNHKJPVPY-SJKOYZFVSA-N 454.877 2.712 30 10 JFEE C#CC[C@@]1(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1469692714 RVIWSNMQPPAWKG-HJPURHCSSA-N 452.548 2.559 30 10 JFEE CCN(CCCn1c(CC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1)S(C)(=O)=O 1502182853 FOGKHYROXRRYSK-UHFFFAOYSA-N 487.674 2.737 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507625381 IMIVLVBILUPQAJ-UNMCSNQZSA-N 496.637 2.867 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507627281 DEPYXMPVRQRDNN-FQEVSTJZSA-N 482.610 2.566 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507640435 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FIUHXIOYNICAOZ-DEOSSOPVSA-N 476.622 2.700 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccncc2)n1CCSC(F)(F)F 1693744654 ADCMURSMWNKZPF-OAHLLOKOSA-N 489.531 2.894 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)[C@@H]1C)S(C)(=O)=O 1695737529 BQIQUOCOBQBPQM-IRXDYDNUSA-N 462.645 2.819 30 10 JFEE CCn1cccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@@H](C#N)C2)c1=O 1695797785 GUCZXOYDXVVVMF-INIZCTEOSA-N 487.333 2.805 30 10 JFEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 1697190881 DECLUADTKRNRBC-NHCUHLMSSA-N 473.599 2.557 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC(F)(F)CO1 1705501357 YHCBVHSRBKPKFS-PZJWPPBQSA-N 458.557 2.525 30 10 JFEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705558450 XAHLUOFIHXBLTN-HNNXBMFYSA-N 454.021 2.575 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705564948 FYALOJCMWTXFPW-XMSQKQJNSA-N 498.571 2.944 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705570885 VDTRHWOIVBOIFF-HNNXBMFYSA-N 493.602 2.556 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2csc([C@H](C)OC)n2)CC1 1705642829 IWGNZAFEGYJXRX-KRWDZBQOSA-N 470.574 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(F)(F)Br)CC1 1705646519 GYSLIIRFFVGVHP-UHFFFAOYSA-N 482.329 2.907 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705653235 COWAAAPOLVXGEE-SJLPKXTDSA-N 472.590 2.964 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705730889 PMMNKIJPEZORGF-GOSISDBHSA-N 493.450 2.797 30 10 JFEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705737155 LBQQOZDWJWYLHB-NRFANRHFSA-N 476.599 2.787 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C)c1ccccc1 1705796050 XSKPDKAFTUTBBZ-KNQAVFIVSA-N 450.587 2.931 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705898403 KLOWCCSKTFHKQP-RTBURBONSA-N 455.559 2.660 30 10 JFEE C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705913458 ORGBPBJJGJIUNZ-UHFFFAOYSA-N 480.613 2.722 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705931737 YTKTWRYHLFRXOG-QUCCMNQESA-N 492.667 2.966 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705947429 KWLHGHGCTXAOHS-NFBKMPQASA-N 483.686 2.562 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1cccs1 1722280852 YPGHTRGWSOMMBN-KSFYIVLOSA-N 473.624 2.623 30 10 JFEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722318702 GFXAIANCNRYVJS-FQEVSTJZSA-N 469.561 2.842 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1722360876 WUIIEAZRYQTEEW-NRFANRHFSA-N 467.595 2.650 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722365858 PPBBKLIRPUBUEZ-OAHLLOKOSA-N 471.505 2.521 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722367846 OOIGRWYTZBSCGY-RBUKOAKNSA-N 474.627 2.970 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCN(CCN(C)C)CC1 1722395188 UDVJCAFPJRGMOU-UHFFFAOYSA-N 486.462 2.772 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCc2ccccc2F)CC1 1722441201 NPPBQAHBPPRWQO-UHFFFAOYSA-N 498.628 2.552 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722524529 YLCNFGQNFUPYIG-UHFFFAOYSA-N 488.639 2.729 30 10 JFEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722607339 UFLJRDCKFOPWAP-UHFFFAOYSA-N 488.539 2.784 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722633710 DNPXTOMOVCYQDY-GOSISDBHSA-N 455.481 2.848 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](OC)C(C)(C)C1 1722693454 OODVTISKCCIDNT-QGZVFWFLSA-N 478.391 2.880 30 10 JFEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC)CC1 1722738426 JJEKRXHBVLUAGJ-IBGZPJMESA-N 459.572 2.988 30 10 JFEE C=CCSCCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1722740627 XXBJZFDHYVWNLQ-VGOFRKELSA-N 467.636 2.953 30 10 JFEE CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)SC 1727147029 ALQQXSGFJJUMGS-SFHVURJKSA-N 484.692 2.663 30 10 JFEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1728442631 FMBFGFTYDQAROC-UHFFFAOYSA-N 456.597 2.940 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1729728055 BPABMLDZRBDOBG-UHFFFAOYSA-N 490.534 2.552 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OCC(F)(F)F)c1 1740531754 SCNIACSEAVFKED-AWEZNQCLSA-N 459.432 2.768 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(CCOC)CCC2)c1 1740562532 METNAYNSYKYOOG-UHFFFAOYSA-N 478.597 2.777 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1740562819 QQNRGVZOPBIKTI-QHCPKHFHSA-N 487.608 2.753 30 10 JFEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCOCCS(C)(=O)=O 1740601523 DFNWGOIAUMIESO-UHFFFAOYSA-N 452.989 2.944 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1740625300 PMSUNAPOUNITKK-VJBWXMMDSA-N 470.639 2.631 30 10 JFEE 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C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)NCCOc1ccccc1)C2=O 34792216 DTLSCNFYKOQSTL-QHCPKHFHSA-N 480.952 2.884 30 10 JFEE CCOC(=O)[C@H]1C(=O)N[C@@H](c2ccc(OC)cc2)[C@](C#N)(C(=O)OCC)[C@@H]1c1ccc(OC)cc1 39189174 DEYRMYWNFIVMGX-ZUVQJFRASA-N 480.517 2.911 30 10 JFEE COc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)c(O)cc3[N+](=O)[O-])n2)c1 59040008 GALPFHJHBWDFDB-AWQFTUOYSA-N 473.471 2.613 30 10 JFEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C 103096394 USBZSJABXZNCOF-MBDQKHHZSA-N 499.564 2.809 30 10 JFEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccncc2)cc1 170359059 LTGPKVUOEVYSGO-NRFANRHFSA-N 479.514 2.911 30 10 JFEE CN1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2OC2CCCCC2)CC1 725388406 OOCKIMJJGMBSJT-UHFFFAOYSA-N 464.437 2.633 30 10 JFEE C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](CO)C(=O)O 1076217598 WTEHIYJRQNEEGH-ODBQACHRSA-N 475.582 2.772 30 10 JFEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3c(O)ccc4ccccc34)n2N)c1 1083898634 QLGKLIGGROWYMA-UHFFFAOYSA-N 490.549 2.986 30 10 JFEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cccc(Br)c3)n[nH]2)cn1 1084353766 GBZDDCBFSRXTFD-UHFFFAOYSA-N 479.364 2.587 30 10 JFEE C=CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CCOCC1 1130698065 HNVJIADYMFJOFQ-HOTGVXAUSA-N 456.992 2.993 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 1136884360 FZARPZGKPDMBNQ-ZWKOTPCHSA-N 451.999 2.744 30 10 JFEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(=O)OC(C)C 1210549531 GWVUSNUPQUFRPK-INIZCTEOSA-N 451.545 2.694 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC(C)C)NC(=O)OCC 1286281958 JUGOKTAHMYHPPT-MJGOQNOKSA-N 465.562 2.540 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1286312215 SFJRTSWEAWNPIB-UHFFFAOYSA-N 462.598 2.979 30 10 JFEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286356302 FUGBJJOXGOXUDO-UHFFFAOYSA-N 479.560 2.790 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286391951 KCXRSECLYZEQLX-FCHUYYIVSA-N 497.596 2.887 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1286395694 TTYASPCDJXJCDY-INIZCTEOSA-N 489.548 2.681 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCO[C@H]1C(C)C 1286408381 FVBVOPHZXZAZDC-CTNGQTDRSA-N 468.627 2.762 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1286408792 LNRRNOZVBKKVHV-UHFFFAOYSA-N 485.592 2.711 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CN(CC(C)C)CCO1 1286424636 FFMZTARPQMHSQY-JOCHJYFZSA-N 465.598 2.782 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1c(CC)nn(C)c1OC 1286432169 ZRMQKIQRTYNXNT-JOCHJYFZSA-N 460.538 2.606 30 10 JFEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1286434765 WRWAIVVZLDPXLW-UHFFFAOYSA-N 472.636 2.867 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC2(C)C)CC1 1286486305 KVYPNSXXFYPKPD-LJQANCHMSA-N 483.016 2.873 30 10 JFEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286510302 OOGLZEXVQCGMTQ-QGZVFWFLSA-N 472.640 2.501 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1286528162 YYPBMFHCKZMIAP-TZAGOIDRSA-N 474.565 2.992 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@H](COC(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286547935 LKLYRJNMLSUKHM-FXAWDEMLSA-N 473.412 2.858 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC(N)=O)CC1 1286603806 LGIKVGBGBJRNDI-UHFFFAOYSA-N 451.930 2.801 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286780568 OPUFHZRJJTUUDZ-SFHVURJKSA-N 487.564 2.872 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](OC)C1 1286782183 NAXWOWNFQHVSKZ-CYBMUJFWSA-N 454.756 2.888 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286792908 LECIJCRBNQDGQB-MSOLQXFVSA-N 457.600 2.887 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286821649 RGPWIGZFYNWAQB-SFHVURJKSA-N 488.589 2.759 30 10 JFEE 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2.738 30 10 JFEE COc1ccccc1[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N)N1CCCC1 1300455100 ACHJWTYUUPYDON-FPOVZHCZSA-N 465.602 2.842 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300489796 SIKJUNWAAHXODG-RDPSFJRHSA-N 468.579 2.635 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1300618273 CRWFNWDVOGKWTR-UHFFFAOYSA-N 484.564 2.926 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN(C(C)=O)C1 1300657029 DLGUZWYLVDPLFG-FQEVSTJZSA-N 461.570 2.680 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCC2)n1 1300681676 YLZZOAVARLJTGG-NHCUHLMSSA-N 470.618 2.594 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1300706009 GLEFWGCOFLCGJI-UHFFFAOYSA-N 499.541 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1300724754 CKZRUZOZOKGNNF-IBGZPJMESA-N 474.650 2.945 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1300833910 FXZAFRFZDWFFRV-INIZCTEOSA-N 456.304 2.995 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1300845452 YLLYWZAWRLHNCC-SFHVURJKSA-N 475.391 2.611 30 10 JFEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300848328 DHNXLOMRAWHNAZ-YOEHRIQHSA-N 483.388 2.713 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 1300952152 NVFDGEINAGGWHN-SFHVURJKSA-N 462.595 2.515 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1300988320 AZDYMQIAZBCOSV-UHOSZYNNSA-N 466.629 2.801 30 10 JFEE COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1301099631 DBHCXENXDRMHIQ-UHFFFAOYSA-N 487.626 2.806 30 10 JFEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 1301165941 NHIFZPZAQMOEMA-NRFANRHFSA-N 481.626 2.861 30 10 JFEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301235137 WMTUFVCKNFFOMM-UHFFFAOYSA-N 469.586 2.907 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2csc(Br)c2)nnc1[C@]1(OCC)CCOC1 1301520241 VQWFJSOLBQODQK-IBGZPJMESA-N 484.420 2.693 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1301526483 NZRMCXUMCDGEQY-FQEVSTJZSA-N 453.568 2.500 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301531383 LBTZLHSDHOTOIK-NRFANRHFSA-N 484.626 2.766 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1301534554 CATUQBFWMIFRPC-JWQCQUIFSA-N 469.586 2.506 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCS[C@H](C)[C@@H]1C 1301585770 DRVKJBFQRQNORK-ZWKOTPCHSA-N 450.630 2.831 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)c1 1309076071 DSROXLWKAKSBIU-OAHLLOKOSA-N 450.944 2.994 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCC2CCOCC2)c1 1358901221 CVXSHYZNYJIQIU-SANMLTNESA-N 481.597 2.803 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC2)c1 1358902970 GVDUIYUTBAHLHH-SFHVURJKSA-N 450.568 2.727 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1358964525 AMTRPVGUAZBHRD-MRXNPFEDSA-N 461.638 2.624 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1358971646 DBBPEQZGFQSCLM-GOSISDBHSA-N 485.610 2.677 30 10 JFEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359001305 QADSQTRIXDDWNI-UXHICEINSA-N 459.616 2.776 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C[S@@](C)=O)cc1 1359002374 XBUKKRUNYCYCRF-UUWRZZSWSA-N 498.678 2.933 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC2(C1)OCCO2 1359021134 COFQGTGYADNMSJ-SFHVURJKSA-N 456.543 2.592 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1359032427 NULGJCQTYHMBBG-KDURUIRLSA-N 472.037 2.637 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N(CC)CC)CC1 1359043533 XSKVXPIJAQGENX-IBGZPJMESA-N 452.603 2.650 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(O)(C(F)(F)F)CC1 1359052806 QQDABWQHQVVCBE-UHFFFAOYSA-N 468.501 2.976 30 10 JFEE C#CCSCCn1c(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1359061738 LCKWPLNLSKTADG-CJFMBICVSA-N 483.638 2.786 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCCC[C@@H]1C 1359063739 BVCGJHBWKATZJP-NNMXDRDESA-N 450.653 2.535 30 10 JFEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359131414 SRVWQADSGUHJTH-GOSISDBHSA-N 472.615 2.548 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1359132798 FRAJXSBVHAWEQE-YADHBBJMSA-N 474.627 2.913 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359168251 NBRYPRBJORFOGZ-SFHVURJKSA-N 482.585 2.909 30 10 JFEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359211916 SRHLMMQVELGUSX-XMMPIXPASA-N 468.558 2.743 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359223610 QLNOCTXFLKBOFN-CYFREDJKSA-N 490.626 2.716 30 10 JFEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NC)c1)C1CC1 1359253179 VSALDZMUTRCKKR-UHFFFAOYSA-N 450.568 2.832 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1359257517 MKDQTLPMYHHSFV-AZUAARDMSA-N 469.615 2.855 30 10 JFEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359283260 FYHDTIXVSDOBKS-RTWAWAEBSA-N 489.642 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1359331583 DBNOZUISFYDQND-NRFANRHFSA-N 473.643 2.716 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 1359362926 HSWIRDDXCNPSOD-TZIWHRDSSA-N 486.667 2.882 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1442264619 NKIMBGINAFKLIW-QGZVFWFLSA-N 452.536 2.678 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 1445782008 NRJXJZZBYLPMPW-KRWDZBQOSA-N 455.454 2.672 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)ccc1F 1460857368 ZTJXUPXLIFKCHT-UHFFFAOYSA-N 451.486 2.779 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1462953520 YGOPCJHNVNYHKD-UHFFFAOYSA-N 452.305 2.936 30 10 JFEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCOCC1 1503358323 GKACOCYXBKAREB-HSZRJFAPSA-N 479.629 2.622 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1507610200 JLLFRBWOECWYGC-FXAWDEMLSA-N 477.573 2.636 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1507636972 LQDUTYHOULIKJB-TZIWHRDSSA-N 451.958 2.916 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507638403 QIQWFFMOTZRQKF-XWSJACJDSA-N 477.631 2.633 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OCCC 1507641551 HEHQURRPXAQYAR-UHFFFAOYSA-N 491.621 2.852 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCC[C@@H](C)C1 1507645358 XYQNJQBFADHHKA-LJQANCHMSA-N 451.571 2.776 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC1(S(C)(=O)=O)CCCC1 1507675711 HBGICGHWNQGEEM-UHFFFAOYSA-N 458.559 2.817 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1507706561 NLFGCVAFYADTKE-HKUYNNGSSA-N 463.376 2.845 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507753204 KPLLIHVUHZOAEW-HXUWFJFHSA-N 488.621 2.909 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F 1507802926 DSJAYIWKLHNAOQ-KKSFZXQISA-N 458.517 2.738 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)COC)CC1 1507912646 RPNPXWLWAWUUTA-UHFFFAOYSA-N 479.423 2.943 30 10 JFEE C=CC[C@H](Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507930797 ZVXPKHXLBIROJS-DRLORSAXSA-N 483.613 2.630 30 10 JFEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC)C1CC1 1507990647 NFLDWPNCTQREFC-UHFFFAOYSA-N 454.394 2.720 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1508074167 QUYRSRVBYUOYOS-FFZOFVMBSA-N 457.600 2.666 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCN2CCOCC2)C1 1508112599 BHOATBIFJWSUSQ-SFHVURJKSA-N 479.423 2.929 30 10 JFEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)CN1CCN(CC)CC1 1516617232 CGQUUDXSOWQVIN-QPPBQGQZSA-N 481.645 2.538 30 10 JFEE COc1cccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)N(C)C)c1 1518348359 AFRXITPPKPMTIG-OFVILXPXSA-N 465.602 2.842 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)C[C@H]1C 1519222089 DFXOAIDASKYYAN-KNQAVFIVSA-N 470.618 2.947 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539093692 CLBRQHFTAGPEFS-SIKLNZKXSA-N 468.577 2.713 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1539224271 DTRGKWFNNBVNTM-IBGZPJMESA-N 461.657 2.812 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1539232516 GMERVMNMZWULSL-GJZUVCINSA-N 461.566 2.948 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1539299914 PRWJUEFFUKUAHJ-SANMLTNESA-N 478.597 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2nnc(C)s2)CC1 1539470707 WODZIJNOWGYQTJ-UHFFFAOYSA-N 463.611 2.876 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(SCC)c2)CC1 1539481719 NCOZJROAGGNZOH-FQEVSTJZSA-N 468.627 2.693 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CCOC)C1 1539517599 PSWPTKYWCVFYLS-RTBURBONSA-N 479.647 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1539614849 DHXWKSQKKNXUAF-YCPHGPKFSA-N 463.526 2.568 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1539642994 KGPLQZPNHUZMHE-IPJJNNNSSA-N 451.527 2.709 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1539903053 QMFROXUDAWVXMC-JKSUJKDBSA-N 481.623 2.575 30 10 JFEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540012407 LRPWJKJZKSAOEN-JOCHJYFZSA-N 465.646 2.666 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1540866316 JOVLOXZOWKIFIO-GOSISDBHSA-N 493.999 2.942 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540879537 GXPQPIVWCYLIBK-FQEVSTJZSA-N 451.527 2.801 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 1540897266 FRJNTFCMPINXKT-UHFFFAOYSA-N 484.626 2.882 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@H]1C 1540897967 WRXQYXRLAYRWQV-GOSISDBHSA-N 475.615 2.752 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC)C1 1540908649 KTRNRNHFVVPEFW-GOSISDBHSA-N 454.980 2.727 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)C1 1547779450 CYNBVCXARYDKBS-NRFANRHFSA-N 485.658 2.599 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C(F)F)N1CCOCC1 1587574164 CLPJNDUYIYXXLW-XJKSGUPXSA-N 471.350 2.850 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1587639769 MWVKOOMQLKPIPS-YJBOKZPZSA-N 470.517 2.765 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588030444 VNUJXZYGINVCAE-HXUWFJFHSA-N 457.600 2.820 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1588064325 GCRUSYRYTBTPAP-KRWDZBQOSA-N 473.961 2.731 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588064384 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C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1286273712 GICPLNWNNMWBLX-FNZWTVRRSA-N 451.615 2.876 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCCC1 1286298455 JXRVEYZCURKFQE-HXUWFJFHSA-N 464.618 2.703 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1286398090 WDEWQWRDMDMHFE-HXUWFJFHSA-N 485.997 2.775 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(OC)nc1OC 1286424259 ASEMQQNQSQFDEH-UHFFFAOYSA-N 461.522 2.886 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2nc(C)c(C)s2)CC1 1286469885 NPTKWNHPPSWYMM-UHFFFAOYSA-N 498.056 2.933 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCN(C(C)C)C2)CC1 1286472377 HHIQDAJOQZATBW-IBGZPJMESA-N 488.478 2.922 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286482468 RQTGUSFPVAXFGU-UHFFFAOYSA-N 473.647 2.646 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)cc1 1286496121 NTGMAAPSHIDPMF-AWEZNQCLSA-N 486.461 2.654 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1286511462 LOODFROHAQCWDH-UHFFFAOYSA-N 497.644 2.976 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1286521559 AFGDLSJADJKLST-OXJNMPFZSA-N 483.516 2.557 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1286521718 BZBMLBHOWMTEMA-RXFWQSSRSA-N 494.596 2.726 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286536168 NXYBWWBFQZDUSA-HOCLYGCPSA-N 497.390 2.982 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286546035 FNBPVYIEZOOBSE-NMLBUPMWSA-N 453.653 2.881 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286564239 UIIVVWDZHQECCF-SLFFLAALSA-N 488.633 2.941 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286709222 ZGXALCJIRRHBRZ-IBGZPJMESA-N 451.369 2.591 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CCS(=O)(=O)N1CCSCC1 1286741646 BNAIBAJGZSLKGH-UHFFFAOYSA-N 474.656 2.844 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286773107 ZJAYPDRUFHWNFZ-KRWDZBQOSA-N 473.647 2.801 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286773394 IQGAVVNGEGPBCC-JKSUJKDBSA-N 458.588 2.509 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CN(C)CCC)C1 1286779430 ISTHEXHWWYTZPX-OAHLLOKOSA-N 464.412 2.506 30 10 JFEE C=CCNC(=O)Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286792569 CBBFMXBSEWZOCF-IYBDPMFKSA-N 468.549 2.833 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286816319 HHTYHXFHKLSSGL-UHFFFAOYSA-N 495.590 2.764 30 10 JFEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC[S@@](=O)C(C)(C)C)CC2)no1 1289407858 HUBNCNOUDUZATH-UUWRZZSWSA-N 481.626 2.983 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCC[C@H]1C 1292123668 HNPOUFLGWZFQOP-HRFSGMKKSA-N 493.656 2.941 30 10 JFEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1294522495 DBEVVLREGLRXMZ-UHFFFAOYSA-N 458.632 2.952 30 10 JFEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1295383256 AFZGEVJGCMLTCT-HXUWFJFHSA-N 477.617 2.519 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(C)no2)c1 1299972869 CXNMRFOHBIUKKM-OAHLLOKOSA-N 459.304 2.790 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCO[C@@H](C)C2)c1 1300331964 VKKZPIRMUOSZFW-FPOVZHCZSA-N 478.597 2.776 30 10 JFEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300392018 XVVFIYHUQGNHMP-UHFFFAOYSA-N 486.349 2.847 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1300681795 AZPMGUTYMQNCRU-GOSISDBHSA-N 466.565 2.707 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cccs2)CC1 1300689203 SJTQZBIQVXXLTI-UHFFFAOYSA-N 453.568 2.836 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN(CC)CCC)CC1 1300700220 NBQXUIYLTCIJHK-JOCHJYFZSA-N 487.693 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1300727142 UJTLHTXCKGPGEM-UNMCSNQZSA-N 465.598 2.914 30 10 JFEE C#CCSCCn1c(N(C)C[C@H]2COc3ccccc3O2)nnc1[C@]1(OCC)CCOC1 1300777534 XVVJYTRXGFFFCO-MBSDFSHPSA-N 458.584 2.573 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1300798664 QFTFNPRKHYAHNH-AVRWGWEMSA-N 480.569 2.723 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1300829910 BXVJPIJLPDPGGK-MRXNPFEDSA-N 476.379 2.504 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1300877798 ZTZZGJPMMCUREZ-XXBNENTESA-N 496.612 2.599 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1300916314 WTXJMJACEUINHN-OAQYLSRUSA-N 454.600 2.876 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CCc1cccs1 1300952237 OYHQGUKADDAHBZ-SFHVURJKSA-N 453.634 2.708 30 10 JFEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1300960751 JOAAPFUQYWYCNW-UHFFFAOYSA-N 466.565 2.616 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1301349468 NVKJJSNPEZHFDG-NRFANRHFSA-N 454.600 2.739 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301568407 GFDAJYKGTCJXLS-WMZOPIPTSA-N 498.447 2.795 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CCN(C2CCC2)C1 1305204519 ALHICMNBDMSMFQ-PMACEKPBSA-N 451.619 2.989 30 10 JFEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2=O)cc1 1312537344 DTPKYKHJIPIRTK-HRTMPFAESA-N 458.522 2.615 30 10 JFEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)c1=O 1313847623 HYJOWXNSGDTMMF-SFHVURJKSA-N 458.444 2.814 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)c1 1355984548 VAOMNNGYVFTRNO-UHFFFAOYSA-N 459.546 2.756 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)CC=C)c1 1358903271 QJNZCYFUOLSFLI-UHFFFAOYSA-N 457.600 2.524 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1358945938 APUVMAWZTVAWLB-UHFFFAOYSA-N 465.558 2.830 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1358956720 JXGTUMFOXXEBHZ-MJGOQNOKSA-N 478.590 2.735 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1358965124 OIXSSBOZHRNAPH-RBBKRZOGSA-N 479.606 2.667 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCOC2)CC1 1359042851 WNNPCKNIPSNXBA-LJQANCHMSA-N 481.597 2.745 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)OC)CC1 1359042914 YYIZFTHQHZUGTK-SFHVURJKSA-N 469.586 2.742 30 10 JFEE C#CCSCCn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359061811 MVRIUNHITJMOIU-CALCHBBNSA-N 478.663 2.766 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1359076513 DIOSUIWSTFQKMS-ZDUSSCGKSA-N 464.430 2.581 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(CC(N)=O)CC1 1359103185 LGRVHXLKPZNTQP-NTKDMRAZSA-N 469.586 2.939 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359117198 LMYRSESCKUGOIV-YLJYHZDGSA-N 458.994 2.595 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359124757 BWQOWNLKKZNEKE-HXUWFJFHSA-N 470.599 2.922 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C(C)C)N1CCOCC1 1359232884 JCKAPOXHAVASEM-LJQANCHMSA-N 475.663 2.526 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1359275660 APVQGDUMKMNCMQ-UHFFFAOYSA-N 468.377 2.908 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCN2CCOCC2)C1 1359313019 FROIOVVHPVNBED-LJQANCHMSA-N 493.450 2.940 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1359326885 MBODJVWHOZJKGN-IBGZPJMESA-N 475.615 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1359331989 LVIWMYNAVULUPX-FQEVSTJZSA-N 493.605 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359335258 GIGCDKJORSYZGE-HXUWFJFHSA-N 477.606 2.662 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359336204 ICKBSNLHSZMEEI-HZPDHXFCSA-N 452.625 2.685 30 10 JFEE 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30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1705567469 WQPAAUNFQKLVQD-FCHUYYIVSA-N 486.638 2.830 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1ccc(C)cc1)N(C)C 1705581005 UTNMVSBFWJHKDN-HSZRJFAPSA-N 489.649 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](OC)C2CC2)CC1 1705646694 NOQKDXJWZPPFCE-FQEVSTJZSA-N 473.524 2.937 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705649456 YJCRMGROEBXQPM-NRFANRHFSA-N 495.628 2.855 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1705658968 HCRLHLBZDTZFFA-UHFFFAOYSA-N 476.610 2.894 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705702460 HQTSUSUMHWKISV-OFVILXPXSA-N 496.656 2.925 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2nccs2)C1 1705732164 PSOVESATBYOHEN-IBGZPJMESA-N 489.623 2.976 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1705828471 OSAJLIGFPSHLHN-UHFFFAOYSA-N 455.588 2.732 30 10 JFEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1705858053 GBVXOOCQKVCJQJ-IBGZPJMESA-N 467.540 2.948 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1705877334 CITFRYNPCPZWEU-HSZRJFAPSA-N 456.568 2.631 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705887031 ZRSSRCCUNPQROE-INIZCTEOSA-N 462.396 2.814 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1705917616 WTGGMLDXKFAYMZ-SFHVURJKSA-N 476.599 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(F)cc2C1 1705937510 WMGQCWDPLHJHIL-UHFFFAOYSA-N 461.588 2.936 30 10 JFEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C[C@H](C)O1 1712303343 GDRFVQBTAFRHCJ-VCOUNFBDSA-N 455.559 2.928 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722361168 MELFMOBTNVVRTF-SFHVURJKSA-N 485.997 2.872 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1722362610 NUZUIGWUSIWGKA-GOSISDBHSA-N 455.609 2.873 30 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CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)C1 1359358243 WJGZXABRVHMVOH-NRFANRHFSA-N 466.586 2.707 30 10 JFEE C=CCn1cc2ccc(NC(=O)CS(=O)(=O)N3CCN(c4cccc(C)c4)CC3)cc2n1 1462996025 VJFUFQXWYBWQAI-UHFFFAOYSA-N 453.568 2.621 30 10 JFEE C#C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)c1ccc(Br)cc1 1463776221 PVTOACPOMDTKCG-OAHLLOKOSA-N 458.355 2.514 30 10 JFEE C=CC1(CC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)CN(C(=O)OC(C)(C)C)C1 1464577996 KAXNMHXEIBIBAG-UHFFFAOYSA-N 459.543 2.919 30 10 JFEE C#CCN1CCC(NC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)CC1 1465854729 XDBAOZCRHUXEAJ-UHFFFAOYSA-N 458.628 2.955 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CCN1CC(F)(F)F 1494252431 HZIKUPLBDNDISV-SFHVURJKSA-N 477.535 2.612 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](c1ccc(C)cc1)N(C)C 1503108441 HBNGJYXAVJEOFR-OFNKIYASSA-N 489.628 2.803 30 10 JFEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1503358029 CWDWNURSOCDHID-CVDCTZTESA-N 473.984 2.983 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2nnc(C)s2)c1 1507553141 XQXNBECNBYSXLG-UHFFFAOYSA-N 458.551 2.528 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1csc(Br)c1 1507573026 CNNVSOMQUKGAIW-LBPRGKRZSA-N 460.423 2.762 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOc1cccc(OC)c1 1507610970 KNLGYWLGKITGET-UHFFFAOYSA-N 461.570 2.999 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507624739 DBLKRLARJCWZLL-PVAVHDDUSA-N 498.422 2.811 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1507710367 OJPSEBLAHLEIKW-UHFFFAOYSA-N 471.521 2.664 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCc2ccccc21 1507713952 CUGWMPMZPBZMAC-PBDKAQRYSA-N 495.624 2.969 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCSC2(C)C)n1 1507716247 IVHRRUDWVUAEEQ-MOPGFXCFSA-N 458.632 2.796 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)CC2CC2)CC1 1507722556 ZUASMBJSPAMCMB-OAQYLSRUSA-N 485.654 2.615 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCN(CC)C2)CC1 1507722742 GYIUJGGKDBKONC-NRFANRHFSA-N 466.630 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1507738348 NWAMNJSFPQAGCI-UHFFFAOYSA-N 473.524 2.974 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507760154 UZGQBQLZZRCPRO-XMMPIXPASA-N 456.591 2.976 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1507772161 HYONLGGQTFGAMW-IEGUWTFLSA-N 479.647 2.675 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507824003 OOCCAOLTEWHQDK-INIZCTEOSA-N 450.499 2.572 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1507935279 OQPCQRJYRPUQCE-KRWDZBQOSA-N 453.609 2.512 30 10 JFEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507956124 CCHSGEWQVIDSRF-UHFFFAOYSA-N 453.996 2.995 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 1507968235 RBGMDSGVZPEMQC-OALUTQOASA-N 476.622 2.687 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1508077363 YZIVXTWKAJFZLX-QGZVFWFLSA-N 474.993 2.678 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 1508100413 JUCBLDJSCBHDOG-OAQYLSRUSA-N 450.543 2.978 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OC2CCCC2)C1 1508110017 RBQMQOVGTLWEQW-FQEVSTJZSA-N 454.575 2.962 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1508137636 OMBQUHDQSLHOAR-OAQYLSRUSA-N 468.627 2.990 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1510103344 CYPYGUQZHDMUAB-SBUREZEXSA-N 459.595 2.805 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2cnn(CC)c2)c1 1539046281 PKMWKERCFRODTB-UHFFFAOYSA-N 454.538 2.585 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539202975 MJDFYYVSXWGQOI-AEFFLSMTSA-N 483.525 2.697 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1539212838 TXZLTPNAPMHGAB-IBGZPJMESA-N 451.577 2.862 30 10 JFEE 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2.565 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1nnc2n1CCCCC2 1539337452 OROUFHHPBAKIDN-UHFFFAOYSA-N 459.554 2.695 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 1539620369 KZZCPRILWNXKBF-RXVVDRJESA-N 468.583 2.756 30 10 JFEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1539798057 BBTLCNUXJONZGI-GOSISDBHSA-N 486.020 2.974 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1539917338 TWDFZSVSLFNYQT-KRWDZBQOSA-N 453.634 2.911 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539954064 REUIBGOWLAYTCJ-HSZRJFAPSA-N 488.614 2.583 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1540137535 SWFCJRRGZKKSNB-RBUKOAKNSA-N 456.522 2.840 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOc2ccccc2)CC1 1540859907 UXADGRZTQQEEBQ-UHFFFAOYSA-N 452.584 2.657 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1540889483 NLCWJANXDSUTOK-MRXNPFEDSA-N 461.448 2.901 30 10 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DHYYCDTUFSBBBF-PMACEKPBSA-N 474.631 2.643 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1588732431 ACLZQOKPUBUNIO-NRFANRHFSA-N 493.015 2.637 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](SC)C(C)(C)C)CC1 1588762393 HPFPUYFZVGKIGF-HXUWFJFHSA-N 475.684 2.882 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2OCCC2(C)C)CC1 1588898795 CEUHUASXLJQMPI-SFHVURJKSA-N 489.418 2.817 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1588947940 ZTVGCWVDTMWFKM-UHFFFAOYSA-N 482.576 2.602 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(OC)C2CC2)CC1 1588962100 UGYKMRATPZLRSZ-AREMUKBSSA-N 465.598 2.946 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1589171558 JTIBYESDZDQWBE-NFBKMPQASA-N 458.584 2.922 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1593712276 XCQIRZICDNUQKA-FQEVSTJZSA-N 479.585 2.944 30 10 JFEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1593735286 BLPFGKUITXYVPJ-UHFFFAOYSA-N 452.515 2.576 30 10 JFEE C=CCCOCCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C 1594829623 NKQDKBZWKKZISY-NHCUHLMSSA-N 460.667 2.985 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1595170920 MRWCSHIONPHRHJ-ZLNRFVROSA-N 458.651 2.739 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1595602264 IIQRYYKBHXEZGW-IFMALSPDSA-N 486.661 2.870 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1595613256 BBRDVAHLMRFWHJ-NRFANRHFSA-N 454.575 2.984 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595804572 CSYFIVBBNIUTPL-FDDCHVKYSA-N 495.045 2.897 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1595851261 ZJULAFINCZTAFO-QGZVFWFLSA-N 457.560 2.813 30 10 JFEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 1597451699 CETCMKGEOMAWEM-UHFFFAOYSA-N 454.552 2.590 30 10 JFEE CCCN(CC)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1614727416 GSRADUHMGHGDNJ-JOCHJYFZSA-N 465.602 2.582 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N(C)C)c1 1619147218 IBQAAQOQQPDUFS-HXUWFJFHSA-N 461.364 2.934 30 10 JFEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1623965805 LKGDYLADSHEAAM-ZDUSSCGKSA-N 453.973 2.617 30 10 JFEE C#CC[C@@]1(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CCCN1C(=O)OC(C)(C)C 1635465704 XEFKROJLHWAPRL-QHCPKHFHSA-N 453.547 2.591 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3ccc(F)cc3F)nnc12 1648556435 OHJACFKOQUIJMJ-UHFFFAOYSA-N 455.490 2.959 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CC(C)C)N(C)C 1649539872 SICRDPIIFQVNCG-MJGOQNOKSA-N 459.664 2.981 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2c(C(=O)OC)cccc21 1652672186 CFLFZIAPAYTANG-SFHVURJKSA-N 455.536 2.660 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)c1 1655366605 ZBKFCNQCVWYLBO-INIZCTEOSA-N 458.440 2.988 30 10 JFEE C#CCN(C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 1675591845 GEOGZDKMLLCKCC-KKSFZXQISA-N 457.527 2.971 30 10 JFEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)c1ccc(Cl)cc1 1683502488 OEXNLJLHNLEHDC-SFHVURJKSA-N 457.943 2.607 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689998445 MMBHCZNATHYFPP-SNJCGAMXSA-N 486.638 2.741 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1690117619 OYDMAWXBMADCPL-AREMUKBSSA-N 498.697 2.935 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CCCCCC2=O)CC1 1690117823 XCOQLYUWBFXPFL-UHFFFAOYSA-N 480.613 2.510 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS(=O)CC1 1690164001 YGAFHNBSOFQLSZ-UHFFFAOYSA-N 457.394 2.782 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690185724 FIBIZLACTINMAT-ROUUACIJSA-N 497.687 2.730 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690253254 OGWJZSKLNPEHBM-IXFSTUDKSA-N 455.559 2.514 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690419986 HRWLQFZNXQCPEI-QGZVFWFLSA-N 492.621 2.592 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OCC 1690518463 KPRLQOFJHYVAJU-UHFFFAOYSA-N 456.572 2.660 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1690604516 WEMYXPHGFAACKK-UHFFFAOYSA-N 468.602 2.991 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1690622011 FYXJUEZVYZNQCK-HOYKHHGWSA-N 491.589 2.726 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(=O)OC)CC2)cc1 1690681116 GUSXQQIBJIQNFC-UHFFFAOYSA-N 465.558 2.641 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690736108 SYPMLMMMJJXUQD-IUODEOHRSA-N 451.394 2.670 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)[C@@H](C)C1=O 1692430697 HVPZNVDXHQLLHU-DFBJGRDBSA-N 466.586 2.991 30 10 JFEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C[C@H](C)O1 1694966465 CAQWNUBQKZANSR-FPOVZHCZSA-N 468.602 2.843 30 10 JFEE CCNC(=O)c1ccc(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1695927003 GNJUKYPDOINKAI-JWQCQUIFSA-N 466.586 2.858 30 10 JFEE CCOC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1695996257 CHDZBIUBHIMDLT-ROUUACIJSA-N 462.595 2.936 30 10 JFEE COCCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1697909895 CXUNZCYDIBJIDH-SFHVURJKSA-N 460.966 2.653 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705528594 LRMRLNAFXDHTHE-QFIPXVFZSA-N 485.386 2.936 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705560987 MLIBDJTVMRBBDG-VQIMIIECSA-N 493.427 2.761 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705562997 OHLXFINYAURUFR-PKTZIBPZSA-N 480.638 2.564 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705570890 VDTRHWOIVBOIFF-OAHLLOKOSA-N 493.602 2.556 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705571949 MHGNJMDAMIGEQB-XUVXKRRUSA-N 478.659 2.640 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1705611290 XFKIJKIJGJMCGP-FQEVSTJZSA-N 475.597 2.954 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNc2nccc(C(F)(F)F)n2)CC1 1705640669 AGACGMLXPXWAEQ-UHFFFAOYSA-N 488.493 2.684 30 10 JFEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCNC(=O)c2occc2C)CC1 1705641975 AWASNWZIFXXYKS-UHFFFAOYSA-N 476.581 2.642 30 10 JFEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 1705643187 VMTVVXQBIJYDHM-XMMPIXPASA-N 450.631 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(OC)c2)CC1 1705648468 SYOHYEIPJPGKBG-QFIPXVFZSA-N 451.571 2.737 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705656094 UFMKJNJTEUYLDV-YOEHRIQHSA-N 488.557 2.871 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1705687898 KDIWIVMSGACLRC-ZDUSSCGKSA-N 452.303 2.867 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1705734287 JXJRPKCVWFHXOW-KRWDZBQOSA-N 458.588 2.872 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1705819390 KOTKFPAZRZOHKG-AQNXPRMDSA-N 463.579 2.519 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(CC)s1 1705856709 CAWHODSAACPBSL-KRWDZBQOSA-N 453.572 2.893 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCCC1 1705885411 QPMHUIPKILIEDV-HXUWFJFHSA-N 476.599 2.787 30 10 JFEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705887304 YJMVLWIRPXVWNY-RXVVDRJESA-N 455.559 2.830 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1705900631 KOLBSPNCUDLXAH-UHFFFAOYSA-N 493.612 2.932 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1705932558 GTISHQXORCSOCA-NRFANRHFSA-N 468.627 2.730 30 10 JFEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1707927443 FYEPJAZDKWCMOE-HOTGVXAUSA-N 483.598 2.695 30 10 JFEE CCC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1709508377 DWKOCEQZXKOBGK-GOSISDBHSA-N 452.563 2.902 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2(S(C)(=O)=O)CCC2)c1 1722309220 LIBROXHHNSBQBE-UHFFFAOYSA-N 469.611 2.959 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722328194 XTSWJNYGGDDSBO-QHCPKHFHSA-N 470.961 2.835 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1722358315 ADPQJTVCLUMQTF-IBGZPJMESA-N 472.542 2.807 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1722359378 LZGKEBQAFARBQR-GOSISDBHSA-N 486.941 2.577 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1722362360 AMTYPKQNXIMLNM-AWEZNQCLSA-N 484.445 2.558 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1722369804 HHESTTMJOLKAJU-PXNSSMCTSA-N 492.045 2.620 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722372363 VEGWRORIYFEGTK-GOTSBHOMSA-N 499.681 2.914 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1722423243 YNVFKPQWWUHTRZ-FQEVSTJZSA-N 466.561 2.657 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1722423244 YNVFKPQWWUHTRZ-HXUWFJFHSA-N 466.561 2.657 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnccc2OC)CC1 1722436973 HTISPUBGHKYTFX-UHFFFAOYSA-N 495.628 2.600 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1722441815 MVOXAWSGWNQMSR-UHFFFAOYSA-N 484.576 2.618 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1722443483 UHOMUBPSXBIZHV-UHFFFAOYSA-N 493.564 2.886 30 10 JFEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722485391 ZYGMNKOHMUPRIX-IBGZPJMESA-N 460.424 2.853 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722531271 JRFYHEMHWALMBX-SFHVURJKSA-N 460.579 2.606 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1722586010 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C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1301489816 CPYGEEZGMOJBHM-UHFFFAOYSA-N 470.946 2.642 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](OC)C1 1301513884 BPJVRFOYVWZLMM-KRWDZBQOSA-N 464.364 2.537 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1301542372 NEJMEAOMUXHXOF-FUHWJXTLSA-N 496.033 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301575167 CNNFPISCLXLGQJ-UHFFFAOYSA-N 484.969 2.734 30 10 JFEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)c(C)o1 1304148804 AODCVSOVUKGNMJ-XZOQPEGZSA-N 487.557 2.908 30 10 JFEE CC[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1305843577 CWYSMJAYMOJYAO-NRFANRHFSA-N 462.602 2.729 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@](COC)(C(=O)OC(C)(C)C)C3)ccc2c1=O 1306885229 NZBWEGINAKIFCW-QHCPKHFHSA-N 459.568 2.692 30 10 JFEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1OCCC 1309089028 ZITHLXYEKPRRLY-AWEZNQCLSA-N 452.392 2.602 30 10 JFEE 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472.634 2.510 30 10 JFEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359135466 DVBJOTZYRSHWLK-UHFFFAOYSA-N 458.651 2.738 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359309928 HPLWTODVXIWHFM-PMACEKPBSA-N 466.586 2.585 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359327749 JVRQJPKMKOPTBZ-HUUCEWRRSA-N 468.421 2.882 30 10 JFEE C=CCSCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359346457 LTHAGRXYAURTSZ-QHCPKHFHSA-N 463.648 2.687 30 10 JFEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478566918 BAIAJZAOANYGCH-SFTDATJTSA-N 455.559 2.702 30 10 JFEE Cc1cscc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1492652318 CJZWNZHXFOQLIK-OXQOHEQNSA-N 486.623 2.756 30 10 JFEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1501045530 AIDDEPXTJCYVAN-RXVVDRJESA-N 458.632 2.951 30 10 JFEE CCN(CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1)CCC(F)(F)F 1502200917 BQBANFNHVUWWAI-GOSISDBHSA-N 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C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1705915662 FTEAMAFMQAOTPY-NVQXNPDNSA-N 483.613 2.850 30 10 JFEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1706094596 GQDMRGQVJBKSQH-UHFFFAOYSA-N 477.613 2.960 30 10 JFEE CN(C)CCN1CCC(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1711013200 DEBBQQFJFKWMKY-DEOSSOPVSA-N 473.572 2.712 30 10 JFEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)CC1 1711350959 FDGFVWSZQBVOKH-QHCPKHFHSA-N 450.568 2.748 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1722363700 BHVCQCGDJIZCLJ-INIZCTEOSA-N 491.589 2.841 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1722364065 WVRVZKGSDYMJJK-IBGZPJMESA-N 483.619 2.746 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722365447 DQTDEPHNHDJHHW-INIZCTEOSA-N 455.506 2.565 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722454496 LKIUCOSDJOHCRA-SFHVURJKSA-N 478.640 2.732 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722465183 FRGGQILQRHMXTG-OAQYLSRUSA-N 461.975 2.908 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 1722477551 HMLKAWLKMWSNOB-UHFFFAOYSA-N 461.408 2.956 30 10 JFEE C=C(Br)Cn1c(N2C[C@@H]3CCCN3C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722489621 QSIMBLGJMCMCEP-ZWOKBUDYSA-N 454.413 2.900 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722504922 PSPAPTFLHMYTCR-DXKRWKNPSA-N 453.543 2.560 30 10 JFEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1722594475 MJXRDLLAHFYGSI-OAQYLSRUSA-N 480.613 2.605 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cccnn2)CC1 1722629166 GWINGMXRCMMFHT-UHFFFAOYSA-N 455.513 2.856 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722653244 XJALNPCDYLXWES-HXUWFJFHSA-N 482.610 2.823 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722668207 VFBGZFQEWPDCBT-MSOLQXFVSA-N 494.662 2.856 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1722673543 VSAAHBOJKRZMGR-OAQYLSRUSA-N 498.628 2.910 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722684200 ADTOPICHOOSNBT-UHFFFAOYSA-N 479.354 2.607 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2nc3ccccc3s2)nnc1[C@]1(OC(C)C)CCOC1 1722704843 XSELRYLHDAVNEU-QHCPKHFHSA-N 470.599 2.867 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1722721330 JCEZFEQIEGNEDF-UXHICEINSA-N 480.535 2.698 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722726045 XNISUKNWCLOMNH-PNLZDCPESA-N 481.018 2.972 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC(N(C)C(C)=O)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1722730722 AXJVLRNZIDPEDP-SANMLTNESA-N 483.613 2.990 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722739814 IVEGWHRHVXMMPX-QZTJIDSGSA-N 469.615 2.707 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722748785 AKVYNENOSGRTFX-DYESRHJHSA-N 476.599 2.568 30 10 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10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740754944 WYLQGWNURMASNJ-HOIFWPIMSA-N 485.585 2.619 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740759535 JZALPDITAOHBMQ-NZQKXSOJSA-N 488.658 2.543 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740764083 UJSAJOSMUFAEQI-REWPJTCUSA-N 489.642 2.537 30 10 JFEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740780386 STKLSTDZTIMNNE-JFIYKMOQSA-N 477.587 2.549 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCC2)C1 1740791957 CLEZHUZTTPQJSP-IBGZPJMESA-N 477.606 2.939 30 10 JFEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1)c1ccccc1 1740802158 IBVYGCREVMQOGB-OYRHEFFESA-N 452.603 2.659 30 10 JFEE C=CCCOCCn1c(C2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740885745 NBIFKZGMWXMLGR-NFBKMPQASA-N 458.651 2.907 30 10 JFEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740945183 NSRAZOQBZZHRHG-UHFFFAOYSA-N 468.558 2.839 30 10 JFEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1740945743 QWQAXYGUHVXCOD-UHFFFAOYSA-N 478.391 2.881 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740988126 UKKXHWTUXBEJFZ-IBGZPJMESA-N 475.571 2.707 30 10 JFEE CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1741281032 HBRJBCLZBQOPHQ-LJQANCHMSA-N 452.559 2.506 30 10 JFEE CCO[C@]1(c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCOC(C)C)CCOC1 1746723356 BTKVHTYLKUUVSA-AREMUKBSSA-N 482.629 2.939 30 10 JFEE C#CCCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748727818 WUWQJPJSDWSMPS-UHFFFAOYSA-N 496.612 2.634 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C 1748875077 ISPMVYLJZGAVCU-UHFFFAOYSA-N 465.558 2.692 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(N(C)C)CCSC1 1748950660 MWDFHQVFCWJORP-HXUWFJFHSA-N 481.464 2.569 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(F)(F)F)cc1C 1748962182 BUTJMULZSLPPMG-QGZVFWFLSA-N 470.517 2.642 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749106990 MUCVRRXJJDXNRP-HNNXBMFYSA-N 451.394 2.744 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCCN2CCOCC2)CC1 1749114845 HZHIKUNJBJQDAH-XZOQPEGZSA-N 488.677 2.726 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1749229090 GNPMHANLLWYKIE-SLYNCCJLSA-N 478.590 2.878 30 10 JFEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749375461 CENPCFIBYKDWMT-QGZVFWFLSA-N 489.045 2.973 30 10 JFEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749407174 WFWWBPCUTIMBGS-FQEVSTJZSA-N 460.590 2.873 30 10 JFEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1749457390 QMOPGVZZVVCFCS-LJQANCHMSA-N 457.575 2.983 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749602340 GWZONWDZNVVCHF-HRAATJIYSA-N 466.508 2.677 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1749650464 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462.554 2.810 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760527638 CZYCENWPCZDUTC-VQIMIIECSA-N 457.600 2.885 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCN(C(=O)OC)CC2)C1 1760539290 ZPEPAECKOCJQQX-GBXCKJPGSA-N 477.606 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1760552219 GXYDWCCRCYHPMJ-DYESRHJHSA-N 473.574 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](COCC)C1 1760552803 AZYYROWCTSXFMN-SFHVURJKSA-N 455.584 2.957 30 10 JFEE COc1ccc(C(C)(C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC 1768422241 ABVVUMZWLMFJGL-KRWDZBQOSA-N 476.585 2.958 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)NCCc3cnc[nH]3)cc21 1858807321 SARDBWKSBMTELN-MRXNPFEDSA-N 490.520 2.731 30 10 JFEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(Br)c1 1862634890 WMPOPMAVCKXSPV-IBGZPJMESA-N 487.306 2.892 30 10 JFEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 1869934136 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460.401 2.933 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286534380 SZMWANSAQQBJID-MRXNPFEDSA-N 461.320 2.963 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1286722678 PNGBUNVUZXEOPH-IBGZPJMESA-N 465.602 2.654 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C2CC2)C1=O 1286765708 SPMZTKRLOXCPNM-OAQYLSRUSA-N 477.407 2.696 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286778406 AEHQZFBSWPXIGG-QFIPXVFZSA-N 463.586 2.741 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286816933 OEASASYTGNQXLK-QZTJIDSGSA-N 481.981 2.586 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1286823178 LSSSHPSNMDCYLU-SFHVURJKSA-N 478.640 2.869 30 10 JFEE C[C@H]1CCC[C@](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)(N(C)C)C1 1291067907 HBZFKOCAHIAKII-DFBJGRDBSA-N 465.602 2.518 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1291864297 DRBNSBBLDIXEQC-OAQYLSRUSA-N 471.627 2.890 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(c3ccccc3Cl)CC2)s1 1297492188 CLQBSMZYXOLMML-UHFFFAOYSA-N 455.001 2.919 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCc3cccnc32)c1 1300332114 XIRYFJYRNKLZIR-NRFANRHFSA-N 485.592 2.988 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC1([S@](C)=O)CCC1 1300549138 YTVKIJFDOWVQTI-LJAQVGFWSA-N 475.412 2.994 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2ccnc2C)CC1 1300683774 SSHBRKMGKOJYOT-IBGZPJMESA-N 451.550 2.908 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(C(C)(C)C)no2)CC1 1300722003 FQYSAIHLESLPKK-UHFFFAOYSA-N 461.570 2.948 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NCc1ccccc1 1300818762 DPVARRHFHAPDDK-UWDQQESISA-N 451.571 2.701 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300881525 PBYQLIACMVVOFU-RXVVDRJESA-N 468.583 2.756 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300992140 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AFCDCVRUSSEBTG-UYAOXDASSA-N 473.643 2.984 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1358971991 POIHERUEUXFNJC-NHCUHLMSSA-N 467.639 2.789 30 10 JFEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(COC)CCOCC1 1359014501 LEVKYDJLPNAMEI-KDURUIRLSA-N 461.607 2.952 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)C(C)C 1359023446 KXHRTAGOGIULGG-VWLOTQADSA-N 466.586 2.729 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(COC)CCC2)CC1 1359034813 DEKDTVCIAUJJAJ-NRFANRHFSA-N 486.661 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1359044454 GVJCEINFULTSAN-UHFFFAOYSA-N 451.571 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ccc(C)cc2)CC1 1359046049 BWZQUGFNJIOVHM-UHFFFAOYSA-N 478.622 2.987 30 10 JFEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1359060256 PDUBXQMTXNERLL-UHFFFAOYSA-N 455.628 2.567 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1359073449 QAOFTCUDOKNGPW-HSZRJFAPSA-N 453.568 2.546 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359091568 OXOTZNLCHCLSIP-YYDVJCTNSA-N 487.576 2.833 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359095152 KXGJAPRVWVARFB-LZNRXBQRSA-N 490.004 2.930 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1359113575 LLTJEJVXFARMOU-FGZHOGPDSA-N 473.643 2.656 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359120604 LLTUNKZXNKJWLM-UHFFFAOYSA-N 473.647 2.898 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359128625 ZYNUUNMHPREDGV-SFHVURJKSA-N 498.447 2.818 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)C(=O)NC 1359133289 OOHHENBFTODPDD-SFHVURJKSA-N 478.638 2.804 30 10 JFEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359200688 NJUKLHIGLZIMDK-UHFFFAOYSA-N 494.625 2.726 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)C1 1359313539 NRQVJWMJCMYCRT-PXNSSMCTSA-N 496.033 2.888 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)COC)C1 1359313542 NRYLAQBIFPGUPJ-AEFFLSMTSA-N 462.620 2.610 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1359329988 BLUYHYKRBHQAFW-UHFFFAOYSA-N 478.619 2.710 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CCCC1 1359331287 UGDLTMHXYZFEOQ-UHFFFAOYSA-N 456.572 2.821 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(I)c(O)c2)[C@H](C#N)C1 1445373421 RWUWWEIZTOXQIH-GFCCVEGCSA-N 457.268 2.582 30 10 JFEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C)[C@H]1CCS(=O)(=O)C1 1475839736 MSSQEVXWVYEERT-KRWDZBQOSA-N 457.618 2.541 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CC(F)(F)F)CC1 1507583075 NRVORURTNSGOSA-UHFFFAOYSA-N 473.503 2.680 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1507621750 BWYLZNXEQGUUQY-QUCCMNQESA-N 491.658 2.986 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1507622687 LBGDWKPOWNXRAI-KRWDZBQOSA-N 469.533 2.859 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507635248 VEKFCOXHZMFHKH-OAQYLSRUSA-N 487.029 2.744 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OC)c1OC 1507653643 PFUDXSIVQSAWBX-HXUWFJFHSA-N 495.580 2.725 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1507659036 KXWWFQZBMNTQIT-MOPGFXCFSA-N 456.591 2.728 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccco1 1507701645 NFRPOBFPOXVFGZ-LJQANCHMSA-N 451.502 2.974 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O 1507712416 XSJFBJGOIOMQPJ-IBGZPJMESA-N 450.992 2.576 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCO[C@@H](C)C2)n1 1507715809 DAYIMQKZCSKORP-PMACEKPBSA-N 451.575 2.581 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC[C@@H](F)C2)CC1 1507741394 ROERYMYTVITIPJ-AZUAARDMSA-N 469.561 2.970 30 10 JFEE C#CCSCCn1c(N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1507758353 MQDDVEYQPKEECK-BSRJHKFKSA-N 479.647 2.646 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507823822 IUOHAMGKMMTYRA-FPOVZHCZSA-N 473.021 2.985 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1507899984 BAFDEYICNDNIIH-UHFFFAOYSA-N 483.063 2.775 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1508075041 VKGFUMNEWPHIGZ-UHFFFAOYSA-N 499.572 2.991 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508078336 XTKFTFIDBBDIRS-WOJBJXKFSA-N 450.587 2.792 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1508079065 NCJGCDJCVSBZKA-UHFFFAOYSA-N 496.612 2.636 30 10 JFEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1519653382 ASVCJRMDSPXRLP-HXUWFJFHSA-N 467.643 2.701 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1539032155 TZMJOADODPHEAL-VQIMIIECSA-N 451.493 2.810 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539052473 DPJSJUCAPLEPTJ-ROUUACIJSA-N 463.579 2.831 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccc(OCC(F)(F)F)nc1 1539172341 XJPXXLKWHPWMTP-UHFFFAOYSA-N 497.481 2.840 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539211188 IYLUXACLNZFSEL-FQEVSTJZSA-N 497.621 2.560 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1539229724 HOXMJEAHLTZOCA-NEWSRXKRSA-N 464.538 2.761 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1539299598 KWIGRQQIGOSEOD-RUZDIDTESA-N 471.602 2.793 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2c[nH]c3ccc(F)cc23)CC1 1539429882 DLGISLSULLMPQI-GOSISDBHSA-N 454.550 2.620 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1539476064 RPGCFVUKKGGXSP-GOSISDBHSA-N 469.590 2.542 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)OC(C)(C)O3)CC1 1539482260 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462.620 2.692 30 10 JFEE CC(C)(C)CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1722965814 FGCQLUQIEJNRPC-UHFFFAOYSA-N 482.629 2.828 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1723390352 DZPKPDGYCMRKOE-LJQANCHMSA-N 466.652 2.957 30 10 JFEE CC[C@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1727696197 DAEJNZBQAUSPHX-UGKGYDQZSA-N 465.602 2.518 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740532267 ZCAPXZLZZJAQOV-REWPJTCUSA-N 466.630 2.946 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740573282 ATDPXUTVEFWSJM-OAQYLSRUSA-N 475.659 2.603 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1740622237 BALCNIJZFCRFBK-KRWDZBQOSA-N 465.526 2.607 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1740623727 ZXOOFSOTNCUNTL-RTWAWAEBSA-N 470.643 2.540 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740624882 LAEAMGOVMKITRF-LEWJYISDSA-N 473.618 2.509 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740650133 PXCDEOMXFKTISA-HNNXBMFYSA-N 496.456 2.514 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC(C)(C)C2)CC1 1740703046 DUGNTCLDVRKZAR-UHFFFAOYSA-N 483.638 2.751 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740750558 DCYHAVRMCOUKAJ-YDHSSHFGSA-N 487.576 2.976 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740761738 AAXUNVVLGZXGMV-FYYLOGMGSA-N 473.643 2.516 30 10 JFEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740791887 AZPLPLGSYRBJPV-NRFANRHFSA-N 460.667 2.982 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1740793364 SBRGSOTYGIRMMO-JTSKRJEESA-N 464.542 2.621 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1740836360 OIQJMRVKYCPSQZ-JOCHJYFZSA-N 452.621 2.688 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1740888522 UPWUFBQMAJIODS-QFIPXVFZSA-N 467.595 2.938 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1740937658 LKYFWAHTYAWQLZ-NRFANRHFSA-N 497.621 2.758 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C1 1740986442 XOAZJLDKGIQMKI-OTWHNJEPSA-N 472.594 2.512 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCN3CCCCC3)CC2)c1C#N 1742668498 CLCPQRFLLFYYIH-UHFFFAOYSA-N 453.639 2.593 30 10 JFEE Cn1nccc1C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1748066984 HKMKHWVXNJWPSU-UHFFFAOYSA-N 472.475 2.613 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCOC1CCOCC1 1748638851 XRSNRUAAHKPICD-QGZVFWFLSA-N 459.978 2.905 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N1CCSCC1 1748659980 NQWYQOHUYOCFSJ-OAHLLOKOSA-N 498.472 2.544 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCn1ccnc1C 1748789921 QJVJNQKLXYIFNX-LJQANCHMSA-N 457.579 2.641 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1748798417 HITGZKIWKWTGIY-OAQYLSRUSA-N 478.622 2.721 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748819102 KMXXQQXOCXNXTD-PZJWPPBQSA-N 474.627 2.565 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCN1CCOCC1 1748926885 XOTMREVYKRKDSR-NRFANRHFSA-N 474.650 2.965 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC2(C1)OCCO2 1748950129 FGKGBYADGNFMLX-OAHLLOKOSA-N 464.364 2.665 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)CC1 1749003813 WWWYAKRRNDXLLB-HHHXNRCGSA-N 479.625 2.917 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)cc2OC)CC1 1749011191 YFDFDURXDJCBTQ-UHFFFAOYSA-N 476.581 2.509 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1749133715 PFTRCAZJSAPBID-BVAGGSTKSA-N 495.672 2.626 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749258462 YYBZJJVOGRGCAX-UHFFFAOYSA-N 492.411 2.686 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1749530885 BWEFHTBDPWDJCV-GHTZIAJQSA-N 484.626 2.769 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(CCOC)[C@H](CC)C1 1749664500 PDYFCOMDZCMAFV-QGZVFWFLSA-N 491.434 2.557 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749701603 XCTFBDCRGLJHKR-HYBUGGRVSA-N 474.627 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1749734497 JRJFSAAOFXTZGB-IBGZPJMESA-N 465.664 2.552 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749745858 JVHMPWILCZNUDS-ZFWWWQNUSA-N 465.421 2.680 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749755200 WZFHYULZYJZFHG-IRXDYDNUSA-N 464.636 2.984 30 10 JFEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1750387961 GIXBZFRKXGTCQS-CVEARBPZSA-N 468.455 2.609 30 10 JFEE CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1750661576 DKOOPRGAVWRKKO-HXUWFJFHSA-N 464.574 2.775 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1750836537 FXKARQJLDUMRAR-OAQYLSRUSA-N 456.616 2.562 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(CCC)C2)c1 1760128941 WSONUCLEUQVYCA-SFTDATJTSA-N 450.587 2.570 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2OC(F)F)CC1 1760269577 LWEYGJWJACKIFU-IBGZPJMESA-N 473.524 2.592 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1760271073 KUXCJKMQQVXQLN-FYYLOGMGSA-N 479.625 2.991 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760287371 PYHAOJOPVMAHEL-WOJBJXKFSA-N 497.731 2.813 30 10 JFEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1760307694 VCJXLJWYOLQYQH-MRXNPFEDSA-N 496.410 2.865 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1760313183 KJHGQPLMNAANGT-RLLQIKCJSA-N 470.961 2.571 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCOCC1 1760329814 LJDLLJMWVVNLHY-SFHVURJKSA-N 475.663 2.670 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1760337732 KXAIJJXBCQGHND-UHFFFAOYSA-N 455.625 2.840 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1760403045 DKZOZVGGVKYPTL-UHFFFAOYSA-N 466.611 2.965 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1760498932 JEVCQENHRBDEMN-HXUWFJFHSA-N 494.683 2.629 30 10 JFEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1760509785 IQFDRJMATSGBNF-UHFFFAOYSA-N 451.428 2.802 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760518073 HZYCGVGPDPRSRU-HNNXBMFYSA-N 462.957 2.733 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCCCCC2)C1 1760547937 VBIFENWEJMSJLH-ONTIZHBOSA-N 461.607 2.576 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1760555915 QPGRWSDZWGTPLD-VXKWHMMOSA-N 473.643 2.831 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760557493 NCSZJRDKRWATQP-RTWAWAEBSA-N 460.600 2.914 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760557875 YLNDMNHGQNJBPU-IBGZPJMESA-N 489.671 2.889 30 10 JFEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)OC 1762343510 HJAYTASBVVDMNV-NHCUHLMSSA-N 451.575 2.824 30 10 JFEE CCCN1CC[C@@H](Cn2c([C@@H](C)CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1764403896 HHHSYKHVRAEIRL-AZUAARDMSA-N 453.639 2.764 30 10 JFEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@](C)(O)c2ccco2)c2ccccc2c1=O 1765578670 ICLANIDBWGQGRC-VOIUYBSRSA-N 461.526 2.771 30 10 JFEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)CC1 1767686962 IFZFHQRHINKBIB-UHFFFAOYSA-N 463.586 2.572 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1768274790 DJLHVTCTGKZYMT-HKUYNNGSSA-N 472.615 2.540 30 10 JFEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)ccn1 1768345012 BSWLQQYMUHVFIN-UHFFFAOYSA-N 477.594 2.667 30 10 JFEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)C1)S(C)(=O)=O 1768788735 CCQPSRSLOCICPU-TZIWHRDSSA-N 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C=C(Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(=O)(=O)CC)c1ccccc1 1359139345 RTENDGHGUGCNBZ-QGZVFWFLSA-N 471.583 2.979 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359209202 FGACLXAABNPMLA-UHFFFAOYSA-N 471.425 2.862 30 10 JFEE C#CCN(CC(=O)N(CC)c1c(O)nc(=O)n(CCCC)c1N)[C@@H]1CCCc2ccccc21 1473825815 GGHYSFBKBHCPBA-HXUWFJFHSA-N 451.571 2.697 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 1475276138 KVPBBGXQZZHVIR-GPMSIDNRSA-N 451.589 2.915 30 10 JFEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1493559031 AQQVXQXZUPKPRE-AVRWGWEMSA-N 465.602 2.998 30 10 JFEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1503404634 AJOJNXMMMOVSHJ-WMZHIEFXSA-N 472.615 2.948 30 10 JFEE COc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)cc1O 1504273103 BBOYJFFBVZRHSS-RBUKOAKNSA-N 498.584 2.884 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCn1cc(Br)cn1 1507545116 HYZJSUUVWXXTJR-OAHLLOKOSA-N 459.348 2.983 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507580820 LHPCLUCBSNGJBN-IBGZPJMESA-N 470.961 2.787 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1507678718 LQSVIERMRAOQNR-VWLOTQADSA-N 451.571 2.560 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1507724776 XBGVAXZFWMKNJY-HSZRJFAPSA-N 464.017 2.975 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507746450 AWOQUXFCNCPAFN-LJQANCHMSA-N 498.653 2.911 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507746961 HGSLRVXHXBGLNZ-KRWDZBQOSA-N 457.600 2.776 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507748359 QFWCEVJRHQLJRX-GOSISDBHSA-N 471.583 2.798 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1507750735 CZDVAZADHHCPRM-RLLQIKCJSA-N 460.625 2.513 30 10 JFEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507751033 BVTJNVCRTVYBIY-UHFFFAOYSA-N 472.640 2.653 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1507792477 YNVHGSZEOFQLGH-SIKLNZKXSA-N 466.586 2.559 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(N)=O)CC1 1507793465 AKYUTNUNBWBFLW-PBHICJAKSA-N 463.380 2.719 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)C2CC2)CC1 1507809358 WEWVEVXROLVVFU-TZIWHRDSSA-N 472.634 2.626 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1507837555 SLMQQHPCRJJKGG-GOSISDBHSA-N 490.406 2.741 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1507845328 ZCWRDGGEFPZKDY-QFIPXVFZSA-N 460.667 2.760 30 10 JFEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C(=O)NC 1507913848 DOKVEIGXADZOJV-INIZCTEOSA-N 475.663 2.967 30 10 JFEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507950671 WSSYAAHNYGAAMC-UHFFFAOYSA-N 482.604 2.915 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1)C1CC1 1507992660 HEJHJCGEERHDBX-SFHVURJKSA-N 494.687 2.763 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1508050469 ZMRUASVPHODWDR-UHFFFAOYSA-N 476.423 2.746 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1508059174 OSAJIRXLYPJDEN-ROUUACIJSA-N 456.547 2.825 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1508072094 GKPVWEQTVSYHTN-ZBFHGGJFSA-N 465.396 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1508145363 LZLANVCPYUYCSH-UHFFFAOYSA-N 493.649 2.937 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1508149599 BWYGRMHLLIJTNL-VGOFRKELSA-N 478.640 2.652 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N2CCCCC2)C1 1510282998 BVJAWYQDDDULMO-XMMPIXPASA-N 484.626 2.881 30 10 JFEE C[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1512537000 FZEHPSZEPNJWLJ-FUHWJXTLSA-N 486.527 2.894 30 10 JFEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CCN1CCOC 1514380298 CNJDRMKVORZOFB-QHCPKHFHSA-N 483.686 2.803 30 10 JFEE COc1ccc(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)[C@@H](C)CC#N)c(OC)n1 1518280070 BVCLPBNYTUZQNG-HNAYVOBHSA-N 450.499 2.989 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1538963304 CFRMQQMVIXLDHE-KRWDZBQOSA-N 460.542 2.962 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1539015247 YAPIWDVJYOTCJI-HXOBKFHXSA-N 461.582 2.813 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)OCCCO2 1539029528 KAKCOZMDJKMPIY-INIZCTEOSA-N 451.552 2.937 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1539231716 XETDLBPHOONSPB-DHIUTWEWSA-N 499.681 2.975 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(N2CCOCC2)CCSC1 1539291764 XTRLJZGKEOHXMY-AREMUKBSSA-N 479.650 2.755 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1539323181 DMDSRICAARVMQF-IVAOSVALSA-N 453.587 2.748 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C2OCCO2)c1 1539338233 RUWQIUDQVLQJOP-VXKWHMMOSA-N 450.539 2.559 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cscc2C(F)(F)F)CC1 1539429697 BTRPNMYFXDHVNO-HXUWFJFHSA-N 469.533 2.814 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2c(CC)nn(C)c2CC)CC1 1539452179 NITCQVVADDCZMH-UHFFFAOYSA-N 467.568 2.809 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539459539 JASJCHSSRCBDDY-RUZDIDTESA-N 480.657 2.586 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1539475627 KKMILFFVNQVAEM-UHFFFAOYSA-N 460.435 2.844 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1539476847 FYWMOMXCRHDIHF-UHFFFAOYSA-N 462.598 2.700 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccccc2CO)CC1 1539526379 NWHLOABJQQZBIO-UHFFFAOYSA-N 453.612 2.643 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1539636938 NDXUUPUFHUZMJA-OFNKIYASSA-N 468.602 2.710 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1539759214 FTCHEGHUFSNGNV-LZBANZJXSA-N 474.650 2.539 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539791665 YUCWYPRYOATMGE-IUODEOHRSA-N 455.740 2.820 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540020529 KUBQQOBBPIDPPV-SFHVURJKSA-N 476.379 2.940 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1540033184 ADPWWFAVLAJNKN-UHFFFAOYSA-N 468.583 2.771 30 10 JFEE C=CCN(C)c1nnc(COc2ccccc2OC)n1Cc1cccc(N2CCOCC2)n1 1540087867 CABGNAHXEAFRPV-UHFFFAOYSA-N 450.543 2.768 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1540120779 VQOZDRKKBPGWSN-RDPSFJRHSA-N 470.643 2.868 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1540137307 QVMXWTHGDUXAFP-GOSISDBHSA-N 453.522 2.657 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H]1C(=C)C 1540186920 ILZOBSYVMSMFSI-SFHLNBCPSA-N 460.600 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1540900199 NRZNUYUQBAQSLT-HXUWFJFHSA-N 453.524 2.588 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ccc(F)cn1 1541673778 CQDXEZMBRFZBSU-UHFFFAOYSA-N 482.951 2.850 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccn3c(I)cnc23)c1 1542111657 OGTPTTNWPAEOJK-UHFFFAOYSA-N 458.259 2.631 30 10 JFEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@@H](C)c1ccc(C#N)cc1 1543511885 ACLFBEGDNMDMFV-HNNXBMFYSA-N 451.552 2.818 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CCN(Cc4cccc(OC)c4)CC3)ccc2c1=O 1559022410 IGDVTUQXOLDXPS-UHFFFAOYSA-N 450.564 2.838 30 10 JFEE COc1ccccc1[C@@H](C)SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1559376342 GMZLARPTQHOSIG-QGZVFWFLSA-N 459.593 2.894 30 10 JFEE C#CCN1CCC(NC(=O)Nc2ccc(OCCOCCOC)c(Br)c2)CC1 1563341378 RQKCOFJJPAEHLB-UHFFFAOYSA-N 454.365 2.710 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587579886 LDFWZMZGLODCSZ-YLJYHZDGSA-N 474.556 2.947 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1588029065 DCKJWZUCQBHWJJ-FQEVSTJZSA-N 474.627 2.584 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1588034573 IPUVFDNVJZDGIM-SFHVURJKSA-N 491.495 2.756 30 10 JFEE C#CCN(c1nnc(CC)n1CCc1cc(Br)ccc1F)[C@@H]1CCS(=O)(=O)C1 1588058695 ALVNPYNLBKRIOY-MRXNPFEDSA-N 469.380 2.612 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1 1588174623 XYVXNHODEWLPFT-HXUWFJFHSA-N 452.990 2.666 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1588310268 XDHWPDJJDMJPJB-KDURUIRLSA-N 487.674 2.586 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2cnn(C)c2)CC1 1588742157 OOBXFRAWADPQJQ-LJQANCHMSA-N 451.550 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)CCOC)CC1 1588907477 CIRJLCLPFVYQHU-UHFFFAOYSA-N 453.587 2.982 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589116089 DEBRPFJSYONXNY-LJQANCHMSA-N 462.641 2.799 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccnn2)CC1 1593712337 ZKFRRYOERJGTAZ-UHFFFAOYSA-N 450.503 2.563 30 10 JFEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1594143021 KCLDGWYWTBZMQO-ZJOUEHCJSA-N 457.550 2.642 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1594789019 XXUWITYLOCSHER-NRFANRHFSA-N 499.641 2.991 30 10 JFEE Cc1ccccc1CN1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1595462149 GXKPLERDMRQOMJ-IBGZPJMESA-N 454.596 2.547 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1595467444 UQDUBALTORONGC-FQEVSTJZSA-N 476.585 2.697 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)CC2)c(Cl)c1 1626374217 DIDSNQDGRQRWRP-UHFFFAOYSA-N 451.914 2.626 30 10 JFEE C#C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(Br)cc1 1629201912 VIACFQOMMOMSHN-QGZVFWFLSA-N 450.358 2.873 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)n[nH]2)c1C 1637119737 MVXSTDJZUYTZAZ-UHFFFAOYSA-N 454.556 2.910 30 10 JFEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)C(=O)C1 1638976428 DJTKQUCLWXIQKV-HXUWFJFHSA-N 452.555 2.660 30 10 JFEE Cc1ccc(Br)c(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1639290481 GAYUCNBQMGBTGF-ZDUSSCGKSA-N 450.358 2.891 30 10 JFEE C#CCN(CCOCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1644504705 SRMSBSGSUXUADX-UHFFFAOYSA-N 455.555 2.634 30 10 JFEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 1666986577 GKXUGOVMHDEEDN-UHFFFAOYSA-N 455.540 2.906 30 10 JFEE Cc1c(S(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)sc2ccc(C#N)cc12 1668841443 GBEXHQXGHYKENR-UHFFFAOYSA-N 453.611 2.660 30 10 JFEE C#CCN(C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 1674363600 ALUDJNIYAMCOOP-LEWJYISDSA-N 457.621 2.679 30 10 JFEE C#CCN(C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)[C@@H]1CCS(=O)(=O)C1 1674363601 ALUDJNIYAMCOOP-NHCUHLMSSA-N 457.621 2.679 30 10 JFEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1682167000 JVLBJTPIPNORSZ-HKUYNNGSSA-N 452.596 2.515 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccs2)c1 1689872329 VGVDMVZKSKDECC-IBGZPJMESA-N 492.605 2.720 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1689961202 ORRCVARBMGEIIL-BGYRXZFFSA-N 477.613 2.634 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOc2ccccc2)CC1 1690113615 OYNKCIMJVQKJTF-UHFFFAOYSA-N 469.387 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1690139798 AIIMGQBKNTZATP-NQIIRXRSSA-N 481.597 2.601 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690166093 UQXXHYYRFCFVOP-HXUWFJFHSA-N 460.401 2.790 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1Cl 1690189999 IOMXVPPBTUXHGK-OYHNWAKOSA-N 496.033 2.794 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)CCCCC)CC1 1690218427 GMRRLLRIGUGWSN-UHFFFAOYSA-N 469.428 2.990 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1690248005 JGGWQHQOSQFRBB-CVDCTZTESA-N 488.658 2.543 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690306656 ZZZNJJIECGZTIK-VQTJNVASSA-N 455.559 2.802 30 10 JFEE 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C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)(F)C(F)F 1690524063 YPQAVCIPJFDGIC-UHFFFAOYSA-N 454.428 2.731 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690632584 DPNXHNUBCAKCRH-UZLBHIALSA-N 473.419 2.882 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690663069 LAQBUKRXYFNFGV-IBGZPJMESA-N 450.503 2.502 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CCN(C)CC2)C1 1690712611 ZJTQWONFOCOLPL-HXUWFJFHSA-N 459.664 2.748 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690729299 LDEAAOSXPHZQHQ-CVDCTZTESA-N 492.667 2.864 30 10 JFEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1693508766 FCCCJYLICKYWSA-UHFFFAOYSA-N 455.538 2.791 30 10 JFEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1695415682 CQPACEDDQYQCGB-NRFANRHFSA-N 484.626 2.527 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@]2(O)CCSC2)cc1 1698487146 BOZQVUIIXLKKSN-FQEVSTJZSA-N 466.533 2.759 30 10 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JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)cc1 1562198002 YWTINHUIXPLHNH-UHFFFAOYSA-N 452.920 2.650 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)n1 1584412011 JOLANRJZXXQDLG-GFCCVEGCSA-N 458.544 2.931 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 1585306515 DVAXQYKVJWAJQW-LBPRGKRZSA-N 456.505 2.716 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1586746263 AQPHUMDYSCCYRI-WMZOPIPTSA-N 451.951 2.818 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCS2)c1 1587689555 KZQLCAVTQPDTTL-RDPSFJRHSA-N 469.611 2.882 30 10 JFEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1588003291 UXSOXTYRMHEUGE-JOCHJYFZSA-N 450.612 2.994 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588015692 DSVLIJFVTGXRNC-UHFFFAOYSA-N 475.597 2.520 30 10 JFEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588035851 YKERCDLTFWDCQE-XTJBDQBJSA-N 486.638 2.751 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1588069093 HEMUAAABMPQXBC-CEXWTWQISA-N 476.574 2.631 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](c1ccco1)N(C)C 1588124455 MMQMJACXCKRFEO-OAQYLSRUSA-N 469.549 2.644 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1588271896 QSEUKWQJISJVOQ-VWLOTQADSA-N 451.571 2.560 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588913310 HBGOLUBHVZQDHB-BGYRXZFFSA-N 482.604 2.549 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1588983540 ABXNRWCCGCPJRF-VQIMIIECSA-N 463.629 2.605 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 1589070852 YKBFLBBRBGUFQR-QGZVFWFLSA-N 465.620 2.568 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589578638 HWLZCDUIELXDFV-XOEOCAAJSA-N 475.634 2.652 30 10 JFEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1 1594784285 VXJKFRCLEKFTKP-KRWDZBQOSA-N 457.666 2.737 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)nc1 1595100251 OXNUBVIYEOPVHB-UHFFFAOYSA-N 470.581 2.974 30 10 JFEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccc(C)s2)CC1 1596296539 HIQMZUQWITZZLJ-UHFFFAOYSA-N 493.637 2.899 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1C(C)(C)C 1611623191 HOSKLUKIIHCGKJ-SIKLNZKXSA-N 452.603 2.993 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)N1CCOCC1 1613507845 HRFKPRVIZUNRCN-ATIYNZHBSA-N 479.629 2.655 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1618904896 GCHUHSMETYMZRD-OPVJXMOQSA-N 468.558 2.821 30 10 JFEE C=CCOc1cccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1625564294 PSVCFDYZHGDSEJ-MNEFBYGVSA-N 450.557 2.860 30 10 JFEE C=CCN(C)CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1635753463 XTXVLPYZENJNNS-UHFFFAOYSA-N 459.568 2.839 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1636390924 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NCNWFVKWTLMBHL-UHFFFAOYSA-N 457.600 2.646 30 10 JFEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1689922340 KBHTUHCCKRVHAY-GOSISDBHSA-N 478.018 2.643 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689980699 WHQGAGSNSRQNLW-QFIPXVFZSA-N 457.644 2.917 30 10 JFEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689996997 TXGUEMWAXIKLKV-INIZCTEOSA-N 469.032 2.621 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCNC(=O)C2CC2)CC1 1690112255 SJZXPUMUQCMVBE-LJQANCHMSA-N 485.032 2.970 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)ccc2OC(F)F)CC1 1690113420 JDQQTTAIFJZIQX-XMMPIXPASA-N 475.540 2.644 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1690113568 NITNTJDKPOKRQQ-HSZRJFAPSA-N 495.958 2.989 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1690141837 CMOZVEAWYPLPDP-NZQKXSOJSA-N 463.582 2.901 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)C(C)(C)C 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CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOc1cc(C)cc(C)c1 1696336225 FNKOAYRVNPAVQP-FQEVSTJZSA-N 476.585 2.887 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1696487789 BYFJOGIKUJKNBB-UHFFFAOYSA-N 496.641 2.606 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccsc1 1705481473 HBHQUHYNJMZHRO-OPAMFIHVSA-N 473.624 2.623 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705496131 ZYZIKUGIBGPXGG-ZYSHUDEJSA-N 465.476 2.512 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705559887 GOBGLAKTAKNHDU-MRXNPFEDSA-N 456.490 2.975 30 10 JFEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1705561152 QMRHGMMVWOCPLQ-KSEOMHKRSA-N 486.638 2.749 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1705561381 POZZVESHZPTLOC-GHTZIAJQSA-N 493.427 2.903 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CC1(c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705561695 VUCNKYITURZDGS-OAQYLSRUSA-N 456.612 2.777 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705564993 DVZUEUPJIHQHKE-KRWDZBQOSA-N 493.511 2.889 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705568056 GJSGQVIRUAQRBD-LJQANCHMSA-N 485.635 2.648 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705699722 KYADRXSDALOTPF-PXCRPINLSA-N 472.634 2.589 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705702462 HQTSUSUMHWKISV-PXDATVDWSA-N 496.656 2.925 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1705714340 NEAJZRLPMBGKNL-LJQANCHMSA-N 465.602 2.798 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 1705792297 QLLHXFFHLRBAKA-ZACQAIPSSA-N 457.666 2.544 30 10 JFEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705831250 LODRBETVFLGUJO-UHFFFAOYSA-N 471.577 2.676 30 10 JFEE 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C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1286392232 GIIWAZVLTULUMK-QGZVFWFLSA-N 473.961 2.731 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1286427809 MZVRPSMMXMENJL-OAQYLSRUSA-N 481.601 2.645 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1286493816 QCQPYXIRCIMEEM-GOSISDBHSA-N 461.488 2.815 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286556211 BRDBQCGHIUBRGJ-ZVDOUQERSA-N 453.653 2.566 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286564234 UIIVVWDZHQECCF-HSALFYBXSA-N 488.633 2.941 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCn2c(nc3c2CCCC3)C1 1286600560 BPACRZZBZZPSNT-UHFFFAOYSA-N 455.607 2.885 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)NC)CC1 1286783630 XETXDYGLSAJNDO-UHFFFAOYSA-N 451.358 2.517 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286792447 YAVDSAWXSJTOKX-FQEVSTJZSA-N 495.584 2.726 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1286821056 ZGQJSNFXDAKYTE-SFHVURJKSA-N 497.662 2.609 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1286835107 QKKAGYHIGMUJMH-UHFFFAOYSA-N 462.570 2.925 30 10 JFEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)CCC1 1296267479 ICXYRRFCWLYMDQ-HXUWFJFHSA-N 466.586 2.898 30 10 JFEE C#CCCCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300375712 AZSXUCIPUPAKEY-RUZDIDTESA-N 472.634 2.850 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCCS1(=O)=O 1300443528 JGQNYTHKVFTXEJ-UHFFFAOYSA-N 459.572 2.918 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300476046 WOZZDZSQSREQFL-OALUTQOASA-N 471.968 2.926 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(I)cc2)CC1 1300693486 ZLGDJMURUZHSDC-UHFFFAOYSA-N 486.361 2.692 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(OC)CCCC2)CC1 1300726440 LBMPWFLEYZMMDY-UHFFFAOYSA-N 453.562 2.933 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1300727140 UJTLHTXCKGPGEM-RBBKRZOGSA-N 465.598 2.914 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)COC 1300813906 UXOFUYKYIICZNK-BKMJKUGQSA-N 450.631 2.917 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300893106 XOXHUXTVHCHXBL-RRPUWOKSSA-N 485.610 2.723 30 10 JFEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1300956704 BIEBJKWDQVZJDO-HXUWFJFHSA-N 479.629 2.670 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1301039993 AMHWVDHWACWNDL-SJLPKXTDSA-N 458.028 2.755 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1301421181 QLMMSZZYYRZNDO-HNNXBMFYSA-N 469.405 2.781 30 10 JFEE CC(C)(CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1302349183 AVLBNHTUBWZVNK-NRFANRHFSA-N 479.629 2.943 30 10 JFEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2cc[nH]n2)cc1C 1304408120 DGPVXQPDUCJSHJ-UHFFFAOYSA-N 462.558 2.757 30 10 JFEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1309989926 OQKWTVHXSOVICJ-KNQAVFIVSA-N 478.615 2.553 30 10 JFEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[C@H](O)C2)cc(OC)c1OC 1315298387 CSWYSBPRKCSUNN-YGJVYZRNSA-N 459.522 2.964 30 10 JFEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cn(C)nc1I 1352520023 GXXBCLGUWHBFGK-UHFFFAOYSA-N 456.236 2.768 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1358912600 UTBRQEUAJFFOSM-UHFFFAOYSA-N 478.645 2.950 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCN1CCN(C)C(C)(C)C1 1358938554 DMFROOGYBIJFDS-HXUWFJFHSA-N 454.619 2.912 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCC(OC)CC1 1358975689 APEAYFUZZSAVKZ-UHFFFAOYSA-N 454.600 2.516 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1c(CC)nn(C)c1OC 1358984069 HBVOVDIKHOKUIM-UHFFFAOYSA-N 473.581 2.963 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1358991566 GOJVGYLHRYLCGZ-NZQKXSOJSA-N 488.592 2.579 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359061716 KKYDQELKGDYFND-HXUWFJFHSA-N 456.547 2.674 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1359065263 MDJRECUONQTBSK-VAPDBKPJSA-N 467.614 2.609 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359091712 QUSXOSVNGIUAIL-NSHGMRRFSA-N 483.573 2.622 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1359106263 ZMTKMSXXYORUKE-UTKZUKDTSA-N 478.640 2.795 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)c1C 1360872958 CWUOPHGKMAOBMG-VFNWGFHPSA-N 450.465 2.858 30 10 JFEE C=CCN(CC(=O)OCC)C(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1434917051 RUGKTMIIMBFQNX-GOSISDBHSA-N 450.333 2.555 30 10 JFEE CC(C)CCN(CCC#N)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1459604846 BFYRLTKAIAXPAT-KDURUIRLSA-N 450.605 2.685 30 10 JFEE N#C[C@H](c1cccs1)N1CCN(C(=O)CNC2(Cc3cccc(F)c3)CCOCC2)CC1 1473493687 BPEZDWUAMQHEEB-OAQYLSRUSA-N 456.587 2.978 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCSC(C)C)CC2)c1C#N 1492727628 BEYWZZZDJHCTKC-IBGZPJMESA-N 458.636 2.902 30 10 JFEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)OC 1494973080 GDQJZJIKESAANS-UWJYYQICSA-N 474.631 2.738 30 10 JFEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1504560831 AGECJPWGZMUCEK-YZUZCNPQSA-N 493.656 2.916 30 10 JFEE O=C(Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1)NCC(F)(F)F 1505342428 IEXHNLBZNDIESS-LBPRGKRZSA-N 455.334 2.530 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)c1 1507549983 ROOWVTPNICACJY-HXUWFJFHSA-N 480.956 2.855 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1507610206 JLLFRBWOECWYGC-XLIONFOSSA-N 477.573 2.636 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1507630430 YRPWRTUGRXJDMD-AOMKIAJQSA-N 474.583 2.680 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1N1CCOCC1 1507713730 VCEAEBBGCFGESI-UHFFFAOYSA-N 466.611 2.605 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507754989 IGHMVRWZWMXELA-NRFANRHFSA-N 450.612 2.615 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1507757768 YGOMOSDFCIGSGA-JPYJTQIMSA-N 458.584 2.616 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1507771626 FTZMPTHYQFUZDH-HSZRJFAPSA-N 458.584 2.683 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1507791640 OVPOWVAAFKTLOS-RTWAWAEBSA-N 472.634 2.769 30 10 JFEE C=CCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507953107 FZZVZLMKNLATQR-RCZVLFRGSA-N 460.667 2.890 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1508020062 NMKXZMOGIUSVGM-MBSDFSHPSA-N 463.579 2.570 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508021172 QKRZPJRIIQVLLB-IPMKNSEASA-N 451.637 2.657 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC[C@H](C(=O)OC)C3)nnc2[C@]2(OCC)CCOC2)cc1 1508104561 LUQSQDNWVQIENH-CPJSRVTESA-N 470.570 2.933 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1531936612 HIGNTAVZFOWVFY-IINYFYTJSA-N 457.708 2.624 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1539229247 BEDOPHICTGFZKE-PXNSSMCTSA-N 486.667 2.707 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539230636 OKRYXEOAOHSCIU-BHDDXSALSA-N 486.638 2.997 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539413491 KLZSIBZEORPZRG-MHTWAQMVSA-N 489.617 2.630 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2sc(C)nc2C)CC1 1539474093 JKUKNUGWOUVVKW-UHFFFAOYSA-N 459.579 2.904 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1539622517 XGZYDLYYJIKYJV-PKOBYXMFSA-N 466.007 2.661 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1539628994 VMCADJVRUXZCAA-GHTZIAJQSA-N 474.631 2.620 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)NC)CC1 1539644423 ZYTQHFGSEPFEKJ-WMZHIEFXSA-N 469.586 2.809 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1539662345 SCCWZXGLKJSLSF-OAQYLSRUSA-N 469.615 2.957 30 10 JFEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCN(C(C)=O)CC2)CC1 1539859814 VVYWRBCFLDFVPT-UHFFFAOYSA-N 470.643 2.900 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1539917312 TUAAXSHAHQQJCQ-KRWDZBQOSA-N 469.652 2.607 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1539981909 KDTXCKQROSAHEH-GOSISDBHSA-N 469.615 2.911 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 1540038324 ZENXJIMKYJUGAR-SFHVURJKSA-N 465.595 2.794 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1540147800 OBNXOOVAKKTMFQ-UHFFFAOYSA-N 463.629 2.622 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1540147912 PTPMLRJRVUWSBE-JOCHJYFZSA-N 492.598 2.800 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1540170918 SIWAEIBMBOTVFE-OAQYLSRUSA-N 469.611 2.529 30 10 JFEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1 1540575673 GCEOADGGLVSCBN-UHFFFAOYSA-N 456.458 2.585 30 10 JFEE C=CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1540860431 NFFUAPPMOJKGRF-VQIMIIECSA-N 489.548 2.932 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCC2)C1 1540865413 FSXSLTOAWLNWOZ-UHFFFAOYSA-N 452.378 2.831 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1540866268 IMSYRSYVIYWOMS-CYBMUJFWSA-N 474.414 2.814 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1540884574 RFEHULOJEVPIJX-NTKDMRAZSA-N 477.606 2.578 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1540890521 GDGLRWJOXSALAG-ZWKOTPCHSA-N 470.540 2.675 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C1 1540896147 HGOAFJPYJHSTEP-OALUTQOASA-N 477.606 2.673 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540908253 SHKYWMDGXRPVSB-GOSISDBHSA-N 471.631 2.534 30 10 JFEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1555524306 DIAHXKCXCMYPRR-QFIPXVFZSA-N 451.619 2.707 30 10 JFEE Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)ccc1Cl 1559383503 AOOBTLNKSHJLQK-UHFFFAOYSA-N 456.963 2.872 30 10 JFEE CC(C)(C)O[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H]1n1cccn1 1561575535 HECMXKFLPKXAAW-BBWFWOEESA-N 453.362 2.993 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)c1 1565837267 VIJXSICOSXRXPF-UHFFFAOYSA-N 458.584 2.512 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(=O)NC)c1 1587640591 UHSCMXUMJFVOMH-WIYYLYMNSA-N 496.612 2.647 30 10 JFEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1587818509 YCQUMRPLJDKAEU-XMMPIXPASA-N 466.630 2.598 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1587847866 VTQZVHJTQUZELN-XLIONFOSSA-N 491.596 2.955 30 10 JFEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1588034973 NXBUDJOSKXQYIE-IBGZPJMESA-N 499.662 2.544 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588044871 CFHGBOPSCGLWKX-JOCHJYFZSA-N 480.638 2.827 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588045772 QHZOMLSSHJIYDW-PZJWPPBQSA-N 467.595 2.776 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1588055795 ZQLJXGOJHQCGGT-SFHVURJKSA-N 467.517 2.829 30 10 JFEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1593923097 DZQNEDDYPTXSKR-SFHVURJKSA-N 476.984 2.882 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594545300 SLWYYJSLCLNTIT-YADHBBJMSA-N 453.587 2.827 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1594733334 REEINWCTWNZHJG-FQEVSTJZSA-N 463.648 2.621 30 10 JFEE C=CCCCn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1594775906 YEZBNDCWSTYMJB-RUZDIDTESA-N 453.587 2.920 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1595170918 MRWCSHIONPHRHJ-DNVJHFABSA-N 458.651 2.739 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1595523355 UYXGOTSDIYGEPH-KRWDZBQOSA-N 469.590 2.772 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1595576975 DUAPGQZQSZODMW-UHFFFAOYSA-N 495.653 2.863 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1595838483 UTDYZJWPVQNRCL-UHFFFAOYSA-N 482.654 2.633 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595905738 PSTUPJGVCZDZDU-JOCHJYFZSA-N 477.656 2.873 30 10 JFEE CC[C@@](C)(COc1ncccc1Cl)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1623535182 AMQYMIVDVUWPTC-VLIAUNLRSA-N 450.948 2.637 30 10 JFEE C#CCN(CC(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1)C(=O)OC(C)(C)C 1629338155 WYSFBYJFNBUAQQ-OAQYLSRUSA-N 451.361 2.655 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](O)[C@@H](O)C1 1635763515 RGMIJHORISZNID-ZLNRFVROSA-N 470.953 2.990 30 10 JFEE C#CC[C@@H]1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)C1 1639868994 FOSCOPGQLRWROF-HXUWFJFHSA-N 453.564 2.999 30 10 JFEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)CC1 1641976722 RJXLUXNRECJPAI-UHFFFAOYSA-N 458.967 2.687 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1OC 1649540712 YPGAZXOUBYRFCF-PKOBYXMFSA-N 462.620 2.692 30 10 JFEE N#Cc1ccc(S(=O)(=O)CCSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 1652515344 CLFCLQLDKKOHPL-UHFFFAOYSA-N 451.595 2.694 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(N(CCOC)C(=O)OC(C)(C)C)CC2)c1 1654957133 DMBBROGYBDLCDZ-UHFFFAOYSA-N 458.559 2.664 30 10 JFEE Cc1cc(S(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)ccc1C#N 1655344666 AOWIBWMIYRBFOQ-UHFFFAOYSA-N 454.596 2.516 30 10 JFEE N#CCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 1666536775 DKULRZIJJRVHSO-UHFFFAOYSA-N 457.943 2.963 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1689827485 FWOSVIYRAVDRFM-MMKMLUHNSA-N 459.616 2.823 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689982156 IWUQCDARRROOTN-ZEQRLZLVSA-N 494.665 2.954 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C)c(OC)c2)CC1 1690148797 VIZCHMZZNZKUDC-UHFFFAOYSA-N 458.566 2.595 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2ccco2)C1 1690159703 KBYGODFLDXZXRJ-FQEVSTJZSA-N 472.592 2.886 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)NC)C1 1690238861 OMCXDQBLUOLBKR-MPGHIAIKSA-N 477.407 2.979 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690254609 DUNSPUMGIZGAAR-MZLICYQSSA-N 477.606 2.578 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1C 1690312816 DBHARGSBBPDUFH-YADHBBJMSA-N 489.642 2.854 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1cc(C)oc1C 1690523140 UVGYHVZGYBZXTB-QFIPXVFZSA-N 458.588 2.978 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1690559496 GIIMDBMEFGTHKY-NRFANRHFSA-N 465.583 2.531 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1690694261 LXRCEABNVLJUEV-HXUWFJFHSA-N 455.584 2.658 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1690696810 JJYKVKMULOKGOP-IRLDBZIGSA-N 453.635 2.703 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1690725174 HVTFPBPORLVEAM-UHFFFAOYSA-N 459.616 2.933 30 10 JFEE Cc1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCN(C)C(C)C)CCO2)o1 1693441403 GLXHHFGFSSILGN-HXUWFJFHSA-N 450.547 2.816 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@@H](C(F)(F)F)O1 1693781933 BPZFYNSCAXMZSG-KDOFPFPSSA-N 460.464 2.734 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccnc2OCC)cc1OC 1696126969 HRNSHOSGGPAOJY-IBGZPJMESA-N 464.526 2.923 30 10 JFEE COC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1697225580 DUESKZOGCLVLKT-JOCHJYFZSA-N 490.605 2.987 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC(=O)NC2CCCCC2)cc1 1698488248 AIWAITCZKAFBMW-UHFFFAOYSA-N 493.612 2.660 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccco1 1705492365 POOZZRRKGNWKPJ-QZTJIDSGSA-N 470.574 2.874 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)c1 1705506848 KDMHFRAAZXISGV-FQEVSTJZSA-N 485.610 2.543 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705527561 BSVVQGYWPAKONE-UHFFFAOYSA-N 466.007 2.786 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567246 VAIICWAWYDZFMD-GGAORHGYSA-N 485.654 2.715 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705569897 LBBIHJREDXPPJI-MJGOQNOKSA-N 479.647 2.503 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1705611193 SVRIFUOQRNFSPL-UHFFFAOYSA-N 463.586 2.858 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1(N2CCCC2)CCOCC1 1705617918 LZZQIFOHAJFYJE-UHFFFAOYSA-N 453.587 2.970 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccncc1Cl 1705623580 XEDIUXWJUUZEQL-UHFFFAOYSA-N 459.959 2.531 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOc2ncccc2F)CC1 1705633867 AHJNLXQEHWQHJG-UHFFFAOYSA-N 472.471 2.915 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCOCC)CC1 1705643931 VUJDCVOVYYPTLK-BGYRXZFFSA-N 460.623 2.621 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)COc2ccccc2OC)CC1 1705648883 BLCBQLAFDXKZHO-LJQANCHMSA-N 476.581 2.963 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 1705651642 DTHHNSIGXRPNOM-MRXNPFEDSA-N 487.655 2.515 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1705679130 CGPXLOMVGAAYBG-KRWDZBQOSA-N 489.418 2.971 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)c1nccs1 1705693348 FNKVKKCNFWQMGQ-HZMVEIRTSA-N 468.649 2.566 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1705740532 OIRXNHXPHINDFV-MOPGFXCFSA-N 476.622 2.905 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccccc1 1705741087 FWPMAUSUMYBHMP-LJQANCHMSA-N 490.630 2.516 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1705792294 QLLHXFFHLRBAKA-BBWFWOEESA-N 457.666 2.544 30 10 JFEE C=CC[C@@H](Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1705798691 ZALFYWDTUDGUIE-NZQKXSOJSA-N 460.600 2.525 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705818910 YTXCGOITFTUHHB-RTBURBONSA-N 493.612 2.526 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1705888834 XMONZKZHRJITQK-UHFFFAOYSA-N 451.575 2.946 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705895464 HWEBJCOUFJMIBA-IBGZPJMESA-N 490.612 2.626 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CCCOC1 1705902940 MQZUCNQJVMXNIN-SFHVURJKSA-N 476.622 2.558 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](OCC)C1 1705903386 UQNLMOMHYUBBSL-MOPGFXCFSA-N 476.622 2.700 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705909177 POMFFTLRFPSZOH-BZSNNMDCSA-N 462.595 2.514 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705909399 VZIGBCGVRUDISI-QWFCFKBJSA-N 490.649 2.945 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC[C@@](C)(C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1705910565 GFONLSHMHATBBM-JWQCQUIFSA-N 469.586 2.634 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1705915656 FTEAMAFMQAOTPY-ATIYNZHBSA-N 483.613 2.850 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNC(=O)C(C)C)C1 1705916240 IYQBDZZKMIQEEA-QGZVFWFLSA-N 479.423 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705931369 NUSGJYJQOPOOLU-HOTGVXAUSA-N 499.479 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705936677 WIUSNJXUEQQXFY-UHFFFAOYSA-N 472.590 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1705938132 NXPMXSQLTPTBKT-OAQYLSRUSA-N 473.643 2.831 30 10 JFEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1 1708075983 FECRXIDHISVSET-LEWJYISDSA-N 451.619 2.706 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722338430 HULDECICAZUWEW-GJZUVCINSA-N 492.668 2.864 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722366498 QULIBWGALPLTQS-JXFKEZNVSA-N 480.581 2.835 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722386667 GRDHTUJPMIYGLB-UHFFFAOYSA-N 482.610 2.742 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722400579 TVTJVAMHVFRSEA-MOPGFXCFSA-N 453.509 2.636 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1ccnc1C 1722406520 YKIVOMAYSGENLL-UHFFFAOYSA-N 454.604 2.601 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccncc1Cl 1722421332 KUKBWSJMRXBYMH-UHFFFAOYSA-N 488.017 2.729 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(C)C)CC1 1722450738 PMPYJMSFGPBSBR-UHFFFAOYSA-N 466.611 2.836 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722455299 SFMZHJSPVBDVOC-FQEVSTJZSA-N 484.670 2.545 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722524235 VRVYHHFMHKXWCB-PMACEKPBSA-N 487.605 2.573 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722529574 WNCWVPZFKHSEES-DLBZAZTESA-N 452.552 2.773 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722625741 WTMJYCMXQDCHEM-KRWDZBQOSA-N 451.930 2.672 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCOCCS(C)(=O)=O 1722634189 AGHZUZNPFZBNCT-UHFFFAOYSA-N 457.394 2.699 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1722659786 CHSDNLVSQWZPGL-IBGZPJMESA-N 470.574 2.853 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1722726387 DKPCCWAKBYIAAB-MRXNPFEDSA-N 466.629 2.747 30 10 JFEE 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30 10 JFEE C/C(=C\c1ccccc1)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1286837747 GJHKRDLJRSYCDT-MKRMIXIUSA-N 496.593 2.664 30 10 JFEE CC(C)(CN1CCCC1)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1287092916 DUYMWXQIDOHMEG-FQEVSTJZSA-N 486.020 2.712 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(F)c(Cl)c1 1288840150 GBRAESCXZWYQEN-BFUOFWGJSA-N 454.959 2.859 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1300345089 OCJAELYFQSCURP-FDDCHVKYSA-N 458.584 2.536 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1300483114 HYENTHNJZGMVPJ-MJGOQNOKSA-N 458.584 2.854 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300483660 KZFARDXPIHMCCV-NHTMILBNSA-N 499.681 2.800 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCSCC1 1300626165 OYLAYYWRNYKINA-UHFFFAOYSA-N 462.664 2.901 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(F)(F)Br 1300654709 FBZRUXFDAILAFP-UHFFFAOYSA-N 457.275 2.790 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](CC)N2CCCC2)CC1 1300719136 PMZHHZQWKMHCEC-HXUWFJFHSA-N 452.578 2.924 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1300876045 RGMCZKTUYGWABT-HKEJHHQYSA-N 481.601 2.790 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(C(N)=O)cc2)nnc1[C@@]1(OCC)CCOC1 1300896469 FSAGRKYIQAZNTA-TYBLODHISA-N 469.586 2.647 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300934767 AHHCDFXTQMLBKS-SFHVURJKSA-N 495.584 2.945 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1301186282 WDECTYOIXLJRTP-UHFFFAOYSA-N 480.660 2.608 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC(C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301592855 FCZTVKUNAWEOND-AJTFCVKESA-N 454.637 2.934 30 10 JFEE CC[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1305843579 CWYSMJAYMOJYAO-OAQYLSRUSA-N 462.602 2.729 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@](C)(O)c1ccccc1Cl 1314393234 BSAWSCQYACJOKA-BXKMTCNYSA-N 497.003 2.752 30 10 JFEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSCC2)c(OC)n1 1315504710 CASQSUPPEGCUSI-UHFFFAOYSA-N 452.540 2.742 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccsc1 1358885127 DKACSGPTEAJIBJ-QVKFZJNVSA-N 458.613 2.665 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1358919714 IRKPIHAYBQYJCW-PMACEKPBSA-N 457.962 2.659 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1358958160 IUGJBPZVMKZQCS-IBGZPJMESA-N 456.568 2.871 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358965429 VCUVXORJVCFUDD-HXUWFJFHSA-N 497.587 2.688 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C1CCCCC1 1358991795 OXIJYMGYCJEMTI-UHFFFAOYSA-N 471.609 2.919 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1359020263 XAMRCXCUEHKASN-WMZHIEFXSA-N 462.497 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C(C)C)C(C)C)CC1 1359043702 FBZGPCSGTJAXJY-UHFFFAOYSA-N 451.619 2.733 30 10 JFEE C=C(Br)Cn1c(N(C)Cc2cccc(C(N)=O)c2)nnc1[C@@]1(OC(C)C)CCOC1 1359088559 NMBAKCTWNIPOKD-OAQYLSRUSA-N 478.391 2.963 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCCS1(=O)=O 1359113124 AHRWKABVIZSVQT-HXUWFJFHSA-N 473.647 2.822 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359184588 TVBHSTKTWBMKOI-ICSRJNTNSA-N 486.642 2.513 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359198031 GMXZWHBKRDWIHP-MRXNPFEDSA-N 470.640 2.738 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1359204530 SFWOOMFVNQKMRI-QZTJIDSGSA-N 462.595 2.658 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359291913 DUMABLRFDXVMCF-QZTJIDSGSA-N 472.565 2.553 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1359341444 XKBLFTWRYQVXMN-UHFFFAOYSA-N 482.589 2.554 30 10 JFEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc2n(c1C#N)CCS2 1360154585 COGAGOCALKQKIE-JTQLQIEISA-N 455.359 2.671 30 10 JFEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1464603455 GMBDGMCTHADFOJ-XMMPIXPASA-N 455.559 2.604 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1496226484 HQFSPQSXNHNDNY-LJQANCHMSA-N 483.580 2.715 30 10 JFEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1F 1497324054 GYAOMGMPVVRTCK-MRUHUIDDSA-N 465.526 2.619 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCN(CCN(C)C)CC2)cc1 1504184440 HUVLXGMSITZIHF-DEOSSOPVSA-N 455.582 2.669 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC2([S@](C)=O)CC2)c1 1507549683 KVLATEXRBFRVMZ-XIFFEERXSA-N 462.579 2.616 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCCC2)c1 1507549743 NBUNJNTZYFWTJO-UHFFFAOYSA-N 480.594 2.687 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1 1507550446 LDGSNEJAACAMLT-VWPQPMDRSA-N 494.640 2.726 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@]2(O)CCO[C@H]2C)c1 1507552427 OPAVVDAOMFXGKM-BXKMTCNYSA-N 465.579 2.527 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1507633553 HEUGWSAQKIWGFF-KRWDZBQOSA-N 499.559 2.878 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)c(OC)c1 1507710670 SWYAMHQLOIZPOQ-UHFFFAOYSA-N 482.610 2.690 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1507724316 NFNXFTSEMWDZKR-QHCPKHFHSA-N 464.017 2.975 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC[S@](=O)C(C)(C)C)CC1 1507727123 GXXOMZANBJWFOS-YTTGMZPUSA-N 452.628 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(CC)CCC(F)(F)F)CC1 1507736151 FZJGNHAKIZBDLH-UHFFFAOYSA-N 479.551 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)Cc2ccccc2)CC1 1507740397 SFZPPVVLSXYBGG-UHFFFAOYSA-N 491.665 2.732 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507750926 HTTGFFQEYJXZEO-IBGZPJMESA-N 457.575 2.640 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507791698 QCRDJWABQUEEOK-IEBWSBKVSA-N 476.622 2.891 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507793384 DGICBCYRJMROAI-LADGPHEKSA-N 466.630 2.917 30 10 JFEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507825480 XNQHHTSDDFNCLJ-MLGOLLRUSA-N 453.312 2.783 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1507843733 SHWMCIQVAODHLX-FQEVSTJZSA-N 457.550 2.535 30 10 JFEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1507870194 FTOTXGFRCCLKOQ-UHFFFAOYSA-N 458.998 2.701 30 10 JFEE C=CCn1c(N2CCCN(C(=O)CCc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1508066404 QEJWKGAYUBNVMC-RUZDIDTESA-N 453.587 2.788 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1508084968 RFNWIMMZQHAMNP-UHFFFAOYSA-N 466.973 2.708 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OC(F)F)c2)C1 1508109842 VLKVHDAYOTZCHE-QGZVFWFLSA-N 477.512 2.954 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC(C)(C)C1 1508145505 MOLAIYUUBKMUPP-IBGZPJMESA-N 476.599 2.785 30 10 JFEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1508150750 PQFUZRYDSOFCKV-QHCPKHFHSA-N 465.583 2.550 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1508168890 ZQOWQUSZYKSCLP-QFIPXVFZSA-N 456.620 2.544 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)N(C)C 1508425660 BALBIZQDVPGSJA-ZDUSSCGKSA-N 475.402 2.651 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC[C@@H]2C)c2ccccc2c1=O 1512552564 HKYOMQDDOIJVNR-MOPGFXCFSA-N 478.601 2.695 30 10 JFEE CN1CC[C@](O)(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)C1 1517408884 GURBBQWPGUHWLP-VQTJNVASSA-N 469.348 2.672 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1CC1([S@](C)=O)CC1 1519161166 HNDQHQPOZSGDNL-NDEPHWFRSA-N 466.405 2.985 30 10 JFEE N#CCCN(C(=O)CCC(=O)NCc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 1536548553 BDMGSXWVJVYWFX-UHFFFAOYSA-N 454.552 2.570 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)nc2)c1 1539046518 UXQUPJVMMGGZFZ-UHFFFAOYSA-N 484.564 2.648 30 10 JFEE C#CCCCCn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1539085978 APGKKIAPMJZDBV-JOCHJYFZSA-N 459.620 2.610 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCC(F)F 1539177984 CTVVOUCAHRWYLC-QGZVFWFLSA-N 492.527 2.743 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539212578 RBGVCAZIOUKSJA-KRWDZBQOSA-N 493.420 2.855 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539221154 YOORPDYZFDTUAO-CQSZACIVSA-N 452.568 2.789 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539230545 NYIPBISVUSESTO-GREBRCKQSA-N 490.601 2.684 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc(CC)s1 1539278979 PISSRBMSVPPYQN-INIZCTEOSA-N 455.588 2.885 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539436710 ZLICSTUAIFFZPS-JOCHJYFZSA-N 457.022 2.711 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)c2c(C)noc2C)CC1 1539489713 WDMZRZDNAFOBML-MRXNPFEDSA-N 478.601 2.514 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1539490294 APAGHFUPJCAKIG-UHFFFAOYSA-N 488.499 2.663 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H](C)CC(N)=O 1539504413 FZJGXCXMOYXWQB-LBPRGKRZSA-N 454.369 2.913 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539685165 UNHFJGPDFMPGHI-IRXDYDNUSA-N 451.568 2.899 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1539706320 HBBQCRBORGGPKQ-HXUWFJFHSA-N 487.605 2.781 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539728642 JWDGTDHNEKFSPT-UHFFFAOYSA-N 468.493 2.702 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCc2ccccc2)CC1 1539847421 FICKGCJTKITYDQ-OAQYLSRUSA-N 459.616 2.790 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1540072498 VCUMBPDHEGLNRO-QGZVFWFLSA-N 453.609 2.616 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccc(Br)cc2C1 1540861648 AOEVTLSIOPWVOZ-UHFFFAOYSA-N 482.342 2.510 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540866313 JJDXMFBHAGICPW-UKRRQHHQSA-N 454.358 2.794 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1540873470 YRVGNUHYMAGALL-UHFFFAOYSA-N 462.398 2.887 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1540879755 NASUEVUXJDFDBC-UHFFFAOYSA-N 482.610 2.861 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1540901120 SZDHKTMCKVKEQK-OAQYLSRUSA-N 453.568 2.827 30 10 JFEE CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1541018832 BQBCTUGKLLMRKX-UHFFFAOYSA-N 475.601 2.724 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1541237609 BGRSGWBTZYGWAB-QWFCFKBJSA-N 456.522 2.703 30 10 JFEE C[C@@H](C#N)CN(C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)C1CC1 1546327766 BKIRCTCUQNJNIN-HNAYVOBHSA-N 453.568 2.873 30 10 JFEE CCCc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](C(N)=O)C2)cc1 1548367752 LJLNIXALVIQBFV-FQEVSTJZSA-N 480.512 2.894 30 10 JFEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cccc(OC)c1 1548371037 DRBYRUXJIZJDDH-NRFANRHFSA-N 490.482 2.679 30 10 JFEE CO[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)(C)C 1554658058 FAHDWWBLYOCUJK-NRFANRHFSA-N 477.617 2.565 30 10 JFEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCCCC2)cc1 1554978654 BXTRUCOUWDAEMN-NRFANRHFSA-N 454.575 2.859 30 10 JFEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1)OC 1555260144 IDVRUZKXYKMDBK-QHCPKHFHSA-N 468.602 2.845 30 10 JFEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1587755309 YGLXPIYRZQLCRJ-FQEVSTJZSA-N 461.570 2.754 30 10 JFEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1587766161 PPWRDVXDCBVULN-SFHVURJKSA-N 452.559 2.517 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1588045237 HRLGDNMBSSDAKO-GPJFCIFZSA-N 472.611 2.786 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588055503 WPPXTGKCYVVCTD-ZCNNSNEGSA-N 477.656 2.511 30 10 JFEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1588059774 UTIDJKSIDAPPDI-XLIONFOSSA-N 476.624 2.561 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1588193486 FCSUGUZVOPXUBT-LEWJYISDSA-N 467.639 2.932 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1588751774 MSZAFMWUCPXXQN-JOCHJYFZSA-N 489.487 2.900 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1588811468 JXLGDAYPGGEIHR-FQEVSTJZSA-N 468.568 2.939 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NCc1ccccc1 1589242897 NZAZJZODPKJJRZ-RUZDIDTESA-N 476.606 2.968 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1589502896 ALJWURIGPODIMZ-JKSBSHDWSA-N 455.559 2.610 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1594567109 MGCGKAMWMCIKLF-QGZVFWFLSA-N 473.603 2.712 30 10 JFEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCN1CCCO 1594957056 XIOMIIOPOGLNAC-HXUWFJFHSA-N 462.639 2.862 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CC1(O)CCS(=O)(=O)CC1 1595075585 IFMQJFMGBHQBCY-UHFFFAOYSA-N 486.594 2.987 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CC1 1595084682 MBVZTIQWNPQQAH-UMSFTDKQSA-N 475.578 2.901 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCc2ccco2)C1 1595682272 ZNECVBFEAZOZCA-QGZVFWFLSA-N 489.374 2.737 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1595682312 ZWSMUKRSBFWMBQ-GOEBONIOSA-N 484.420 2.642 30 10 JFEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC(C)(C)O1 1611797661 FNJDUXPSOBGACV-UHFFFAOYSA-N 452.559 2.649 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCS(=O)(=O)NC(C)C 1613313598 BIOIPLHZGZXKFH-KRWDZBQOSA-N 494.065 2.971 30 10 JFEE COc1ccc([C@H]2CN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CCN2)cc1 1622694849 HCRGKKHLGQSKHV-QGZVFWFLSA-N 454.321 2.804 30 10 JFEE C=CCC1(O)CCN(C(=O)c2cc(I)ccc2N2CCOCC2)CC1 1635151817 UINGFBOYKARIAB-UHFFFAOYSA-N 456.324 2.671 30 10 JFEE C=CC[S@@](=O)(=NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)c1ccccc1 1640208659 SIJNMJMTPLWIHT-NDEPHWFRSA-N 454.595 2.747 30 10 JFEE C#CCN1CCC[C@H](NC(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C1 1645270907 SIMMGTHVFUFPDJ-FQEVSTJZSA-N 451.523 2.549 30 10 JFEE C=CCn1c(S[C@H](CC)C(C)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1652472579 XOLWXYJQJJTPFF-GOSISDBHSA-N 450.586 2.612 30 10 JFEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)CC)c2)ccc1OC 1654136711 DMLABMZVTXCXMO-INIZCTEOSA-N 452.554 2.648 30 10 JFEE CN(C)S(=O)(=O)c1cccc2c1CCN(CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 1654440454 FOJKMWPAAIZECB-UHFFFAOYSA-N 458.609 2.746 30 10 JFEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2=O)cc1 1662149381 HGWQKKITUHZWEI-QGZVFWFLSA-N 453.442 2.665 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(OC)c(O)cc2Br)c1 1662927355 DQDHKLVSNOKRFL-UHFFFAOYSA-N 455.330 2.558 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1 1667321659 CJWFKFYGBSDUIT-HXUWFJFHSA-N 456.568 2.919 30 10 JFEE CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C 1668316189 BFNXBEBWCDPDHT-HXUWFJFHSA-N 455.540 2.945 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1689930223 NALMWKGOHWQAGN-GOSISDBHSA-N 488.610 2.659 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C(C)C)N1CCOCC1 1690048520 KPYOEVNHXFCUTL-QHCPKHFHSA-N 455.553 2.967 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690157603 KOEQWHHHSDNNMZ-VGSWGCGISA-N 478.615 2.939 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1690170003 VXNJRRHTBKEVDF-UHFFFAOYSA-N 475.622 2.943 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690179109 MVZTUKOIPGDPRG-SFHVURJKSA-N 453.572 2.715 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1690361450 UWBLSANMHAEJEB-ICSRJNTNSA-N 451.999 2.984 30 10 JFEE C=CCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690493507 KCYBSQGKGSCRCN-IRLDBZIGSA-N 482.629 2.821 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690672372 PZUZDPQQPQUCIG-MRXNPFEDSA-N 455.513 2.567 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)(F)F)C[C@H](C(F)(F)F)O1 1693838204 FIADBAREMWTLFV-SMDDNHRTSA-N 499.387 2.831 30 10 JFEE CCn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN(C)CCOC)c2ccccc2c1=O 1695903430 ADPMSMHZOOJXTI-SANMLTNESA-N 492.628 2.773 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1697697976 GDMYTMRICOLJKM-PCCBWWKXSA-N 482.585 2.972 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1705517414 VJZXNQQSJOZVKX-MOPGFXCFSA-N 497.662 2.649 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705580029 BOOSUHNXBOJHCQ-KRWDZBQOSA-N 475.553 2.970 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705584281 DNUYVHCOESUKMO-OAQYLSRUSA-N 470.577 2.619 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN1CCCC1 1705595012 BLKLBMJVUNFUCW-UHFFFAOYSA-N 481.670 2.823 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1conc1COC 1705603175 KKKRCRWLOQNDKN-IZAXUBKRSA-N 468.558 2.694 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705609637 KXYLBJIRCRAEJQ-GHTZIAJQSA-N 487.626 2.626 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1705693232 DHVJJUWCNLMHKX-KNQAVFIVSA-N 483.617 2.518 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705890563 WYGSJUOYDBOPBQ-DLBZAZTESA-N 453.609 2.592 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1705906649 LIIZSJLQYMHXNI-UHFFFAOYSA-N 481.626 2.555 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1705933577 LUKVWSOSVYZZSF-JOCHJYFZSA-N 459.572 2.693 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CC2)C1 1705935722 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30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300501135 HBOFWQZRWOPHAV-OAQYLSRUSA-N 481.647 2.991 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(F)cc(F)c(F)c1F 1300528497 WYDWKRUDLNDKJN-UHFFFAOYSA-N 490.486 2.916 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300647506 DDJNUYKCERNIAD-FQEVSTJZSA-N 482.585 2.709 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@](C)(O)c1ccco1 1300666246 VTXHBQOAWMTQMI-RUZDIDTESA-N 487.601 2.979 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1300676867 VPHBPXMBKJORAA-IFMALSPDSA-N 465.598 2.617 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1300726438 LAIMVPKWZQBUQT-UHFFFAOYSA-N 459.978 2.720 30 10 JFEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)COC)CC1 1300743509 SRCJIAMUHCHCOV-UHFFFAOYSA-N 496.406 2.508 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1301340348 YLICTDULWAXTST-UHFFFAOYSA-N 497.650 2.716 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(CS(C)(=O)=O)CC1 1301340945 GQSKRBIIOITUEG-UHFFFAOYSA-N 457.600 2.532 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1301491180 MLQRVCKRTWQUAH-MJGOQNOKSA-N 469.590 2.772 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301519528 PEEBOVWZQDHROG-OAQYLSRUSA-N 495.653 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301587700 QWJIRONMYQAHRW-LJQANCHMSA-N 491.614 2.952 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](CC)C1 1301592568 ADJJZWLVELCFEV-LJQANCHMSA-N 461.613 2.661 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(C(=O)NC)c1 1305520695 DKHZENMPSRPGQL-GOSISDBHSA-N 458.570 2.793 30 10 JFEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1305618215 BYWQAUIJNCYIST-VJBMBRPKSA-N 468.602 2.843 30 10 JFEE C#CCN(C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1312520952 LLAKYGZZAWGEJP-RTBURBONSA-N 453.402 2.992 30 10 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487.449 2.891 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C(C)C)[C@H](CO)C(C)C)nnc12 1457824729 MYMSQIHGUSWLTQ-YLJYHZDGSA-N 457.600 2.728 30 10 JFEE C#CCNC(=O)C1CCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)CC1 1475233732 OTFBBSHVVDJYFC-IZZNHLLZSA-N 479.646 2.754 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1502519068 CKLHGXDKOQXIKH-WMZHIEFXSA-N 462.595 2.831 30 10 JFEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1503762186 AGAVYXANXMGKIC-UHFFFAOYSA-N 452.469 2.555 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CCC2)c1 1507545847 CHQSSIXAZZGWND-KRWDZBQOSA-N 484.626 2.525 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCOC[C@H]1CCOC1 1507547507 LTLXLEUVMSKHTO-ZGXWSNOMSA-N 461.607 2.950 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1507629324 SAFVOCJDTVCXKI-LJQANCHMSA-N 454.552 2.920 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 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DZESSTPCTJUNAT-FUHWJXTLSA-N 462.476 2.748 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccnc2OCC(F)F)cc1 1521109829 FXLZCZMIDPRRPR-LJQANCHMSA-N 481.463 2.545 30 10 JFEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 1533941953 GXWXGGQCZGERRK-UHFFFAOYSA-N 456.503 2.626 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539103084 NKJAQCUBHGNILK-UHFFFAOYSA-N 458.969 2.895 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(OCCO)c(OC)c1 1539177205 ZTXZPHHJEKSABY-FQEVSTJZSA-N 499.612 2.890 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539210256 AMRJJDSRMIZXRY-KRWDZBQOSA-N 477.015 2.628 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539231321 QYSPHSYUVJINND-SSSFQFABSA-N 480.675 2.885 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539438221 RXXTUXPSEQZSKS-WJTDDFOZSA-N 487.608 2.524 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCC=C)CC1 1539477572 RCVIAHPZIBRJON-UHFFFAOYSA-N 487.608 2.997 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCc2csc(C)n2)CC1 1539490514 WQJKKVKPWSRQQF-UHFFFAOYSA-N 482.585 2.970 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539580338 XHMXPHRRUNQZME-SFHVURJKSA-N 496.454 2.583 30 10 JFEE Cc1cccc2oc(CCNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc12 1539594403 HYKAJICGBAJBTD-UHFFFAOYSA-N 452.536 2.768 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H](C)C(=O)NC 1539621744 BNQKJEULWXJZFD-LZJOCLMNSA-N 457.575 2.762 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 1539629839 BUXKJLOTDNLBIV-ZCNNSNEGSA-N 493.674 2.943 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1539983256 WRHJXKOOLFOYJJ-INIZCTEOSA-N 486.602 2.684 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1540039838 HPWHTEXRKNOWET-FQEVSTJZSA-N 459.513 2.523 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540121710 LZMSLJUGJYGTHQ-QFIPXVFZSA-N 491.621 2.994 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)OCCO3)C1 1540883262 WTHHSBKIRFEYRG-IBGZPJMESA-N 455.559 2.797 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC=C(C)C1 1540897400 IEQABBJRRHUNPD-UHFFFAOYSA-N 463.991 2.619 30 10 JFEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1547206323 AKCKVIMLCUQWIF-NRFANRHFSA-N 451.575 2.970 30 10 JFEE Cc1nccn1CC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2CO 1548412020 HMHNOKNPVWCVPH-GOSISDBHSA-N 461.488 2.820 30 10 JFEE C#CCC[C@H](O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1568081805 RUUUWWOXERUXTE-KRWDZBQOSA-N 451.342 2.754 30 10 JFEE C=CC1(CC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCCC1 1586902487 XLFVPPYUTLYXIE-UHFFFAOYSA-N 455.621 2.606 30 10 JFEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1587835831 ZYGAYAOJWPDKKU-UHFFFAOYSA-N 462.554 2.812 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588034710 KSYVDOSZOXMHID-DHIUTWEWSA-N 469.655 2.933 30 10 JFEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1588034974 NXBUDJOSKXQYIE-LJQANCHMSA-N 499.662 2.544 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588041163 VOTKDLFHEUXBGG-IRLDBZIGSA-N 472.611 2.930 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588054177 LGMBYTUBSZLXBW-RBUKOAKNSA-N 479.647 2.722 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1588065297 WEOXZQVHBJVSHF-KRWDZBQOSA-N 462.000 2.654 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCC[C@@H]1CO 1588276811 ZWZUYKBXAHXKTO-GOSISDBHSA-N 463.424 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)C(C)C)CC1 1588890853 GQFFZWVZDOIIHV-IQGLISFBSA-N 471.577 2.930 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC(=O)N[C@H](C)CC)CC1 1588899830 XQMUZVJAAAZGEV-GOSISDBHSA-N 476.581 2.962 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1589358656 YAXZQXXMPAKFIR-LBPRGKRZSA-N 482.180 2.830 30 10 JFEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1593671632 MVFHVCKECZPQIT-XMMPIXPASA-N 468.646 2.973 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(O)c2)CC1 1594783886 LFBGDMNFGXSKSW-UHFFFAOYSA-N 463.542 2.550 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(Cn2cccn2)CC1 1595577006 FVKPHPWGYIUEQF-UHFFFAOYSA-N 463.586 2.889 30 10 JFEE CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cc1 1615307951 HWOZTEBQDRNOGT-UHFFFAOYSA-N 463.586 2.784 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)CC1 1618829454 HMHOPUAJVJPYBN-IBGZPJMESA-N 464.599 2.643 30 10 JFEE C#CC[C@@H](NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(=O)OC 1622226632 YAZVSUFBNDQLEF-BHDDXSALSA-N 460.983 2.792 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 1627232907 GDNFOEFIPQEPKW-GOTSBHOMSA-N 454.615 2.712 30 10 JFEE 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C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1)C1CC1 1690545066 JDZKCTCEBHQDHC-HXUWFJFHSA-N 477.656 2.677 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1690609510 QYPVNRPXFDMFAY-DENIHFKCSA-N 495.671 2.725 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690719704 QXTBAQWNGHKDRW-RDJZCZTQSA-N 479.603 2.797 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 1690722738 UGFGVEIWUMBIFU-UHFFFAOYSA-N 468.377 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1690722952 CAZDFQGJHSZDGN-GDLZYMKVSA-N 450.630 2.910 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(c3nccs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690731856 RPWROUPFSPDQPW-JOCHJYFZSA-N 495.671 2.760 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1690742112 GTTPCFZMDNQSFH-IAGOWNOFSA-N 464.636 2.890 30 10 JFEE C=CCSCCn1c(CCc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690749649 KWZVHSFJZRPHCY-ZJSXRUAMSA-N 482.698 2.971 30 10 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489.020 2.675 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)CC1 1722692528 PKSZOLXTIPEQHX-XMMPIXPASA-N 454.575 2.845 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722699644 LZHVGEFQUADZLB-SFHVURJKSA-N 458.994 2.567 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCCO1 1722704692 WQLOTURQKSBMHT-MSOLQXFVSA-N 462.595 2.658 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1 1722731971 OQMGOPDJZKMLDU-IBGZPJMESA-N 453.543 2.517 30 10 JFEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1722735371 QAGKWCUCSZWELR-UHFFFAOYSA-N 479.654 2.931 30 10 JFEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCN(C)C(C)C)C[C@H]2C)CC1 1722800116 YAKFZVSRJORLCL-PXDATVDWSA-N 492.672 2.536 30 10 JFEE COC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1730471070 AFZMCWRPSNBGFE-HSZRJFAPSA-N 452.603 2.866 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1740547866 BOIWVXBTQUYLAV-KRWDZBQOSA-N 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2.811 30 10 JFEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1nc(C(=O)OCC)cs1 409829913 IUKXJMYWCZFNDI-HZPDHXFCSA-N 493.607 2.951 30 10 JFEE C#CCN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H]1CCS(=O)(=O)C1 729330585 GGSZBSDEBMLYBI-RXVVDRJESA-N 458.967 2.850 30 10 JFEE Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn3ccccc23)c1=O 729671721 NFXVSVYZGRNRMT-UHFFFAOYSA-N 495.564 2.576 30 10 JFEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(c3oc(C)nc3C#N)CC1)O[C@@H](C)C2 730649626 ANLLIGQGOFKVRM-QSFXBCCZSA-N 494.548 2.572 30 10 JFEE COc1cc(C=NNc2nc(SCC(=O)Nc3ccccc3F)n[nH]2)cc([N+](=O)[O-])c1O 1083859611 VWSBASIUEHNANB-UHFFFAOYSA-N 461.435 2.743 30 10 JFEE CC(=NNc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1N)c1ccncc1 1084007595 IKKYTKXNSVSEHD-UHFFFAOYSA-N 467.584 2.766 30 10 JFEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c(O)c1 1084274835 ORBMZEIRIAKBFP-MRXNPFEDSA-N 482.614 2.959 30 10 JFEE C#CCN(C(=O)Nc1cc(I)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 1215815019 FAHGYQZRKMSTAG-LLVKDONJSA-N 452.701 2.599 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC(F)(F)C2)c1 1286311398 HQRQVFAYRGIROY-GOSISDBHSA-N 470.524 2.892 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286384785 SAPFRBXMQDZZOX-GOSISDBHSA-N 494.564 2.868 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccsc1)N(C)C 1286414233 TYKWNNABECMHTH-JOCHJYFZSA-N 474.638 2.889 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)Oc2ccccc2F)CC1 1286490149 MLFIMPJIAZHNLG-GOSISDBHSA-N 462.529 2.913 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(OC)CCCCC2)CC1 1286493947 JIFORKIHGGLRFA-UHFFFAOYSA-N 470.643 2.949 30 10 JFEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286497858 YKXRHUVNTOILSD-ZWKOTPCHSA-N 467.636 2.814 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1286517583 SSIPCMRSFJZNEJ-VBKZILBWSA-N 453.971 2.916 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCS1(=O)=O 1286573280 IHYVRRRDZHDUBY-QGZVFWFLSA-N 480.660 2.608 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 1286588363 RJKGUQFQFGGKFE-UHFFFAOYSA-N 457.575 2.848 30 10 JFEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286702596 UEAAQIRTEYJQKB-UHFFFAOYSA-N 451.619 2.755 30 10 JFEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286712766 KFLXBAAVEKDSIP-UHFFFAOYSA-N 462.554 2.525 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NC1CCCCC1 1286741056 BJTWECWGPGWMOD-OAQYLSRUSA-N 461.570 2.742 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOCC1(C)C 1286766127 XVXFKTPGTOBKNN-UHFFFAOYSA-N 467.412 2.785 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CSCCS1 1286772400 CTSWKQFYBBQQCI-IBGZPJMESA-N 475.688 2.940 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1286787528 VXWZBEJLXVQTEH-UHFFFAOYSA-N 464.555 2.688 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2)CC1 1286793434 DUYZAGMEYSYILB-IFMALSPDSA-N 452.603 2.826 30 10 JFEE 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459.543 2.772 30 10 JFEE C=CCc1cc(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)cc(OC)c1OC 1186105893 JEGITKIWKSBGMK-GDLZYMKVSA-N 453.586 2.770 30 10 JFEE COc1ccc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1196766072 FWNMHZUXHGYEPN-MRXNPFEDSA-N 458.540 2.813 30 10 JFEE COc1cccc(CN2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)c1 1197302709 DBSGUZQKEVJJDD-UHFFFAOYSA-N 450.358 2.836 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286386123 VFFOWZOZTHCPCO-FYNLTWRRSA-N 490.601 2.735 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1OCC1CC1)[C@H]1CCS(=O)(=O)C1 1286391873 FGTZKZGRZUBXBJ-NRFANRHFSA-N 456.612 2.940 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286397099 RKLLUVZLJDJRAS-YPAWHYETSA-N 486.638 2.997 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286484920 QLJYFUTUUGCMJL-UHFFFAOYSA-N 485.654 2.587 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286536170 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SSSJVJOLDSLSNW-OEMFJLHTSA-N 451.592 2.629 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2nc(C(=O)OCC)n[nH]2)c1 1635550128 GEXXNGAVBQQCNN-QGZVFWFLSA-N 455.515 2.571 30 10 JFEE C#C[C@@H](NC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)C1CCOCC1 1637129161 YGHHLIVCIGVMBB-OTWHNJEPSA-N 455.452 2.800 30 10 JFEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2OC)CC1 1645001976 RAXIUPDRPJGKAX-LJQANCHMSA-N 456.612 2.916 30 10 JFEE COC(=O)c1c(NC(=O)CN2CCN(c3cnccc3C#N)CC2)sc2c1CC[C@@H](C)C2 1654590256 CTPWQYPEOXCEAH-OAHLLOKOSA-N 453.568 2.687 30 10 JFEE C#Cc1ccc(CNS(=O)(=O)c2ccc(I)c(C(=O)OC)c2)cc1 1662090513 KJOBPUZDFHUIGE-UHFFFAOYSA-N 455.273 2.538 30 10 JFEE C=CCOc1ccc(OS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)cc1 1662405659 IPEUYHMGWNFSPV-UHFFFAOYSA-N 453.314 2.972 30 10 JFEE C#C[C@@H]1COCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1674301286 MHKMSJBCSNDXOM-HBFSDRIKSA-N 461.534 2.971 30 10 JFEE C#Cc1cccc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)c1 1681995547 DWKJKQVIIUGDSI-SFHVURJKSA-N 459.287 2.655 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccco2)N(C)C)c1 1689870758 ZHBXUJUWWMOSII-NRFANRHFSA-N 472.553 2.631 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCC1CCOCC1 1689916529 MKHLYIIIBRWJAB-UHFFFAOYSA-N 459.616 2.862 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689984016 JRUUSADXCVPEOP-ICSRJNTNSA-N 460.600 2.642 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689984577 QWBZMGOSSPEZLD-ROUUACIJSA-N 496.992 2.560 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689995869 BIQDHXHNBVTXBM-FPOVZHCZSA-N 474.627 2.853 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1690034655 OFUFRRCKBQGXPH-QFIPXVFZSA-N 476.503 2.833 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1690088790 WZLDEKQRGXMOCA-HHHXNRCGSA-N 499.631 2.944 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNC(=O)OC(C)(C)C)CC1 1690115104 SCGGIKCBNWTVSY-UHFFFAOYSA-N 450.543 2.971 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690163350 BQBDDUGDYCSKEA-PZJWPPBQSA-N 458.584 2.713 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@](C)=O)CC1 1690195866 QRPNHLPYZIXDEO-KCEHZKJRSA-N 458.584 2.874 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690247732 FKEVIGXGZRZVGJ-GBXCKJPGSA-N 458.651 2.735 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690253811 UHNBOLMGAFDLFW-AYEZKCMBSA-N 467.570 2.950 30 10 JFEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690291526 AIQRLCOBFBTEQD-YKSBVNFPSA-N 466.630 2.637 30 10 JFEE C=C(C)COCCn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OCC)CCOC1 1690320025 HFZKLCGOUQKQPF-DHLKQENFSA-N 467.570 2.972 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCn2cnnn2)CC1 1690367489 QJZSVFGIORBTJW-UHFFFAOYSA-N 459.352 2.949 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690675968 LIJHBDQIHASGPL-UHFFFAOYSA-N 487.564 2.782 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1690711634 FHLMREMLFAFXFM-FQEVSTJZSA-N 450.543 2.556 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccccc1C 1690714912 YGUCDPYKXQVVKB-HXUWFJFHSA-N 457.600 2.765 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C2CC2)C1 1690717623 LNDOOLUAQIJXCY-CQSZACIVSA-N 454.394 2.873 30 10 JFEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 1693186704 FGEYXGXMCVRGPU-QFIPXVFZSA-N 464.618 2.721 30 10 JFEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1697587752 DHJWAVQYVJRALK-YADARESESA-N 451.527 2.724 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705527490 ZOVIHUTWJSKATB-HXUWFJFHSA-N 479.585 2.790 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1705563419 XAZOBJNZHNAJJU-GBESFXJTSA-N 476.574 2.900 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1705564725 PMFSLMYQWBQZHK-OAHLLOKOSA-N 490.383 2.679 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705615435 UGHYLJDWFXBKPY-HXUWFJFHSA-N 465.520 2.990 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccccc2F)CC1 1705650661 WMVLSPVCVNNIPQ-IBGZPJMESA-N 476.556 2.836 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1705673045 NUQSHKZIKAVMSW-RIEVBORMSA-N 470.618 2.863 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1705700840 YZOLHXGTZASLBY-XJUOHMSHSA-N 464.570 2.735 30 10 JFEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1705728070 TVSQJYCMXRCXQL-UHFFFAOYSA-N 458.994 2.831 30 10 JFEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705732630 GIJGIHLPMPFCPQ-LJQANCHMSA-N 470.599 2.604 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1705754740 FESZNRPBLXJBMX-MRXNPFEDSA-N 451.980 2.684 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1705755223 OPSGRAGGPAUVHW-IRXDYDNUSA-N 483.013 2.834 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1705829525 UHYHCFCSCVTZGS-UHFFFAOYSA-N 465.558 2.539 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1705894275 SXHUONNXPZTNKA-KRWDZBQOSA-N 471.631 2.780 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1705894898 NRRDPRARNFSVDH-OAQYLSRUSA-N 484.564 2.558 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705905403 UQMVTTPWDJAXAZ-GOSISDBHSA-N 496.591 2.700 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)N2CCOCC2)C1 1705916799 NVUWGNQAMSQAOF-AEFFLSMTSA-N 479.423 2.548 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCn2cncn2)C1 1705919365 COOFTZINVCBDOX-INIZCTEOSA-N 474.363 2.789 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1705927668 DDLTUXJRLKBPBB-HCXYKTFWSA-N 465.595 2.697 30 10 JFEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC(C)(C)O1 1706956309 CYGJVMCXIOPZKR-UHFFFAOYSA-N 487.626 2.947 30 10 JFEE CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)cn1 1710027259 CIDDDIJZTLWTIW-UHFFFAOYSA-N 450.591 2.820 30 10 JFEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1710122597 AFKRETSARDCOES-QFIPXVFZSA-N 468.602 2.845 30 10 JFEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)C1 1711437484 AEDDTASSGXBPBW-RGZWJVDOSA-N 453.543 2.669 30 10 JFEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712143637 CXWSMWVZQGADRV-IBGZPJMESA-N 472.553 2.605 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722318732 DSOWQEVGGNXQMT-UHFFFAOYSA-N 460.586 2.891 30 10 JFEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722337846 JBOAASKPLKRFMN-INIZCTEOSA-N 496.431 2.503 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1722359854 QHFIRAKGAAOENR-SFHVURJKSA-N 458.584 2.779 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722363180 RFVLCPKTMDBPLJ-FQEVSTJZSA-N 485.013 2.757 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCCC1 1722389479 IKTMXQMOQBJZIJ-UHFFFAOYSA-N 455.540 2.674 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1CCOCC1 1722399441 TWJNNORFXDBJJC-UHFFFAOYSA-N 474.653 2.922 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(CO)c1 1722413305 KGQUKLRDTRLQKU-FQEVSTJZSA-N 455.559 2.587 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2nc(C(C)(C)C)cs2)CC1 1722448199 VNFFTOPVFGGTDS-SFHVURJKSA-N 470.643 2.745 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1722458040 BXALWNRZAXBLBT-SFHVURJKSA-N 478.544 2.941 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1722471175 AHEOAFGQPNSFOF-AREMUKBSSA-N 475.597 2.829 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722485635 NAAMADOQCHVCOY-IBGZPJMESA-N 462.373 2.740 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722628835 HYYBLLHKYAHGGO-UHFFFAOYSA-N 454.579 2.982 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1722693654 WAHYOECCFUACCK-FQEVSTJZSA-N 498.609 2.741 30 10 JFEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1723018888 FTYFUNROYIVSEM-UUWRZZSWSA-N 483.642 2.702 30 10 JFEE CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1723515445 DBRZTBBHSAZYQT-UHFFFAOYSA-N 495.628 2.680 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740570742 HIUQTLJEZCTCNQ-FQEVSTJZSA-N 475.597 2.831 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1cccs1 1740611176 VUWPEMJWCFJPOF-ZHRRBRCNSA-N 461.588 2.625 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740620120 NSQFGGLZWBHLLN-FQEVSTJZSA-N 491.061 2.742 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1740628183 OHTMRRIGQKUQQO-QFIPXVFZSA-N 479.606 2.738 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)c(O)c1 1740655873 FUHZYDXMKDOVEM-HXUWFJFHSA-N 495.580 2.812 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1740703257 LIXTYSNVDPAEOW-YIXXDRMTSA-N 495.624 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)N(C)C2CC2)CC1 1740707165 RHYFQSZACFSHSC-KRWDZBQOSA-N 470.568 2.596 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnccn2)CC1 1740710861 FXGYNBIPFXFMLD-UHFFFAOYSA-N 473.404 2.519 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC)[C@@H](C)C1 1740748062 FVWHRQWMNWRGCK-AWEZNQCLSA-N 453.410 2.709 30 10 JFEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCNC2=O)CC1 1740886870 VTKBZGBTDNHGIH-UHFFFAOYSA-N 459.620 2.611 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCOCC1 1740919343 CNVMIBYPZUIAEI-UHFFFAOYSA-N 450.518 2.954 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740940270 YYDQEZBCTZLCQQ-MRXNPFEDSA-N 498.447 2.628 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(NC(=O)COC)CC1 1740949528 ZGEGSKLLPGFRMO-UHFFFAOYSA-N 464.364 2.537 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)C1 1740980312 OSNQIODXIYQTMO-DLBZAZTESA-N 465.476 3.000 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1740987457 UAUPFLXCPCGEJK-QRWLVFNGSA-N 451.499 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740987487 UTJUPFHAIIUUBE-GJZGRUSLSA-N 485.452 2.555 30 10 JFEE C=CCSCCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@]1(OCC)CCOC1 1741004826 NJRKHCKWRMNXNL-QHCPKHFHSA-N 458.632 2.873 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1742290662 CVDMFGHUUKDOKF-UTKZUKDTSA-N 478.644 2.998 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1748745773 XDGITRLLJGIOCZ-UHFFFAOYSA-N 477.569 2.663 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1748761119 NCQHCRQUDBQBFI-OAQYLSRUSA-N 453.587 2.828 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C(CC)CC)no1)[C@H]1CCS(=O)(=O)C1 1748819342 NGYZPXAVIGRHNC-FQEVSTJZSA-N 482.610 2.831 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCCCC2)nc1 1748825292 TWDXOSGNDWLQBG-UHFFFAOYSA-N 468.565 2.822 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CSCCS1 1748887080 RZDMJVJIFVZLDD-SFHVURJKSA-N 478.647 2.986 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1749020709 ZYDRIVCQHNNMTE-QGZVFWFLSA-N 450.572 2.539 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749123579 GHKCTJQOEDZAGK-AWQBJMPUSA-N 476.599 2.913 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1749158323 GYSFJCFOBPQOAL-XMSQKQJNSA-N 495.671 2.563 30 10 JFEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749223673 WWDLTCDFQWRNNV-UHFFFAOYSA-N 499.641 2.584 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749406282 GJDFXFILKGRJDJ-RBUKOAKNSA-N 458.632 2.783 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30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705679097 BJLGFYSLMJZDQQ-INIZCTEOSA-N 487.362 2.628 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](N1CCOCC1)C(F)(F)F 1705720670 MTBXXZMKQMUHRV-BZSNNMDCSA-N 461.529 2.668 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705738063 JLUYIJHJFYPOLX-FQEVSTJZSA-N 472.659 2.656 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705746574 VVKNKBCRINZKQO-OAHLLOKOSA-N 493.395 2.751 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCN(C(C)C)CC1 1705883041 SVHZTYIVIHIRHZ-UHFFFAOYSA-N 457.575 2.548 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1705921670 WWJWJRVGULVGPA-UYAOXDASSA-N 460.026 2.801 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1705946826 SCYBMCNGGDEUIK-QFBILLFUSA-N 495.646 2.793 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CC(C)C)c2C)[C@H](C)C1 1705998409 ZLFHDRYCORTRQA-LJQANCHMSA-N 490.612 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468.565 2.675 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CSCCS1 1740640891 YORNCBYLTCGFES-MSOLQXFVSA-N 477.656 2.508 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2ccc3c(c2)OC(C)(C)O3)n1 1740689244 SMNBXDUAIWIFGF-UHFFFAOYSA-N 450.543 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](OC)c2ccccc2)CC1 1740703256 LIXTYSNVDPAEOW-WNCULLNHSA-N 495.624 2.672 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740880574 IVCUVGKEGYSAEJ-FQEVSTJZSA-N 495.628 2.993 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1740916117 DFWRLOTVJYFRPA-YKSBVNFPSA-N 481.578 2.745 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCO[C@@H]1C 1740916998 DEOMGGDSOVHTHP-VUDCNRLCSA-N 467.570 2.606 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1740930318 QULFAZVAFOJSKG-RBUKOAKNSA-N 464.570 2.954 30 10 JFEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1740947180 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C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](Oc4ccnc(CN(C)C(C)C)c4)C3)cc2C1=O 856663854 XBECLTXTCHAABE-NRFANRHFSA-N 462.550 2.997 30 10 JFEE CCOCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3[N+](=O)[O-])n2)s1 1083901513 ZAYBQJJHHGOCCM-UHFFFAOYSA-N 495.572 2.827 30 10 JFEE Nn1c(NN=Cc2cccs2)nnc1SCC(=O)Nc1ccc(I)cc1 1084095416 TWBNFZYOAMGRMV-UHFFFAOYSA-N 499.363 2.835 30 10 JFEE COc1cc(C=NNc2nc(SCC(=O)N3CCc4ccccc4C3)n[nH]2)cc([N+](=O)[O-])c1O 1084506873 WYSDPTOGBHAEQU-UHFFFAOYSA-N 483.510 2.550 30 10 JFEE C=C(CC)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1129713534 BRPJZKQYCYPDPT-UHFFFAOYSA-N 452.577 2.924 30 10 JFEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1264296392 ORVKXPUAOOIXRG-KNQAVFIVSA-N 463.600 2.618 30 10 JFEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(n2cc(Br)cn2)CC1 1264962893 DCMJXEKTYQNDII-UHFFFAOYSA-N 456.348 2.973 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(NC(C)=O)nc1 1286373917 JQRKAISPKGASGZ-LJQANCHMSA-N 467.574 2.864 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1286394271 IACJYYUBQCQISF-QGZVFWFLSA-N 489.598 2.745 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCC(F)F 1286412572 CDJAEQTVRPPXSN-UHFFFAOYSA-N 451.518 2.747 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286424230 TVTXGZSFIYVJMM-UGKGYDQZSA-N 469.586 2.751 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C(=O)NC 1286430557 IIFBPLBZUKVSPI-UHFFFAOYSA-N 470.618 2.628 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCCCC1 1286459880 VYCKBWQSXYGAIQ-UHFFFAOYSA-N 461.570 2.619 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1286469588 KAEHWUOLDWTQCI-XHVUARLKSA-N 481.663 2.983 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccncc2Cl)CC1 1286491300 MJBCAQYFIJRMDT-UHFFFAOYSA-N 478.984 2.940 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1286698404 XMCFGFBIRQHXOC-UHFFFAOYSA-N 467.599 2.940 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286768429 HTCQLZAURUYKSW-RBUKOAKNSA-N 454.575 2.701 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286779079 HDWFPPZXAAJBGR-AEFFLSMTSA-N 472.977 2.575 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286779272 HNGIVOQGJOJODJ-XFAGBWLFSA-N 473.549 2.634 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286820072 DEMRGAWNAKUDEE-LSDHHAIUSA-N 473.020 2.676 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)CC(=O)Nc2c(F)cccc2F)s1 1290599789 ABAYHFMPALHMOY-UHFFFAOYSA-N 457.524 2.520 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc([C@H](C)OC)n2)CC1 1299121200 AOIIYVCKJPJIMT-INIZCTEOSA-N 495.609 2.903 30 10 JFEE COc1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)cc(OC)c1OC 1299888995 FLMONMFSEGXLSC-HSZRJFAPSA-N 469.521 2.656 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(C)n2)c1 1300331838 RUDHGIVKVWFRSC-MHZLTWQESA-N 488.592 2.933 30 10 JFEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1300336933 QHPBSKAOCMVJSG-UHFFFAOYSA-N 466.586 2.668 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1300380650 DXLMJDOLSJAKSV-IBGZPJMESA-N 456.978 2.770 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@@H](F)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1300504374 MRQUYODPHOHNLD-ZWKOTPCHSA-N 499.406 2.915 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300505341 ZZZNEAZXAJITEO-LJQANCHMSA-N 488.635 2.552 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCC 1300559613 VIFQNBMSROUAJO-HSZRJFAPSA-N 456.616 2.561 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1300708625 WVTJBVAYUIYQOL-LJQANCHMSA-N 487.446 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1300733621 YNJRVUPQZGDXIX-HYBUGGRVSA-N 471.989 2.657 30 10 JFEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300963536 VXJYRWCQHFSMBA-MRXNPFEDSA-N 453.996 2.852 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1301217899 HJIVEQSMDKJZAC-IBGZPJMESA-N 465.602 2.705 30 10 JFEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301278782 QSGYHHUJCUZVJJ-IEBWSBKVSA-N 460.560 2.680 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1301347479 XBGOUCTVMOMJOQ-HXUWFJFHSA-N 452.584 2.957 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1301366665 GVGXBMCURPIAFZ-GOTSBHOMSA-N 481.645 2.875 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1301517887 COBAYVSXDGOCBB-UHFFFAOYSA-N 496.015 2.817 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C)n(C)c1=O 1301802876 GHBYDDOIHCDFLO-UHFFFAOYSA-N 472.553 2.757 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)c1C 1304022917 GEIDQSSTGCVZFA-YYDVJCTNSA-N 490.605 2.901 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1OCCN(C)C 1358886185 ZHXXZWPMCUJOAZ-LJQANCHMSA-N 495.653 2.685 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1358956624 IOTOPOXLCWOZFH-FCHUYYIVSA-N 496.637 2.948 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1358964508 AFAHILJUMQGHHD-GBXCKJPGSA-N 484.647 2.773 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OC(F)F)CC1 1359043228 MNCKQEQOOYQOQA-UHFFFAOYSA-N 466.492 2.956 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2csc(C(C)(C)C)n2)CC1 1359044434 FXXSNHLYSFHQFG-SFHVURJKSA-N 470.643 2.745 30 10 JFEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCN(CCC)CC1 1359052599 KHNPTNNEQOGVIP-UHFFFAOYSA-N 465.631 2.598 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O 1359095968 VCEZXYIQAVKABU-MAUKXSAKSA-N 453.996 2.565 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1359112000 VLVUSJMNFJECND-JGCGQSQUSA-N 454.600 2.988 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1359121901 NLKOFEFEKRGCQY-JOCHJYFZSA-N 468.650 2.965 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cc(F)c(F)c2F)CC1 1359174088 WHRQKORITUESFN-NSHDSACASA-N 461.485 2.895 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359216896 HJUCSNORRRYMPP-ULQDDVLXSA-N 463.535 2.667 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2oncc2C1)C(C)C 1359264803 QEMDTMOEBDAFMY-FQEVSTJZSA-N 453.591 2.763 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1359280922 JCYCJTKLSQUOAP-GOSISDBHSA-N 450.543 2.659 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCc3ccccc32)C1 1359313608 OQWSCDHHVPDLIP-DFQSSKMNSA-N 459.616 2.790 30 10 JFEE C#CC[C@@]1(C(=O)N2CCCN(c3nccc(OCC)n3)CC2)CCCN1C(=O)OC(C)(C)C 1435520744 ZJGVGHHKPGBBMT-DEOSSOPVSA-N 457.575 2.707 30 10 JFEE N#Cc1sccc1N1CCN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 1469135624 CSQSZVBEWZFHEO-UHFFFAOYSA-N 451.596 2.933 30 10 JFEE N#CC1(CS(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCCCC1 1475016354 GADWJMABINVQBL-UHFFFAOYSA-N 459.659 2.859 30 10 JFEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cn1 1476191190 BAKDBXDBSSMWEE-UHFFFAOYSA-N 450.524 2.502 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(O)CCN(C)C1 1495732999 GKLFFYQDJCAORF-HXOBKFHXSA-N 458.010 2.710 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc([C@H]2CCOC2)cn1 1507524928 XBXQBJRNMQXWQJ-ROUUACIJSA-N 450.543 2.821 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CC)s2)c1 1507549986 DBUQELACVBABMY-FQEVSTJZSA-N 462.579 2.958 30 10 JFEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507571219 TUFOAFARQYPVBC-GGAORHGYSA-N 494.640 2.658 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507630759 GXOONYLWRWPGMV-OAQYLSRUSA-N 470.643 2.540 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1507630829 INLHDQRHUDGTGM-QGZVFWFLSA-N 455.609 2.972 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1507743457 BZBXAWWEOWMHDY-NFBKMPQASA-N 452.628 2.841 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507848635 ZULQOLVQQQSNAP-AREMUKBSSA-N 496.612 2.881 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCN(C)C1 1508024754 LEVKFCDGCVVZQQ-NRFANRHFSA-N 475.391 2.930 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1508132175 VNNHFSKPSZUBME-LEWJYISDSA-N 487.626 2.896 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSC[C@@H]1C 1508137014 XRHOSNRGNRXVOG-HNNXBMFYSA-N 482.628 2.513 30 10 JFEE C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508170073 OFFYXCOXHHKYIK-IXDDJSRYSA-N 489.580 2.580 30 10 JFEE Cc1cccc(C(=O)NCCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@@H](C)C#N)c1 1511059030 BLFSVTDBSOFYCD-FQEVSTJZSA-N 487.612 2.786 30 10 JFEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539111870 CIRHIQKARODYNY-HXUWFJFHSA-N 461.614 2.887 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539219196 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286567496 VPDBYWDROOTCMH-XJUOHMSHSA-N 498.628 2.975 30 10 JFEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1286580029 XTMZMJIHJDNNNU-UHFFFAOYSA-N 460.629 2.926 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1286592725 SEVLWHVGTINNOR-IBGZPJMESA-N 476.622 2.857 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286628813 GMGUQAJPWQEIOV-SFHVURJKSA-N 450.008 2.876 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1286663516 NDSXRYOSYMLCQK-JOCHJYFZSA-N 487.670 2.961 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1286679803 SXOHASFLGJUREO-SFTDATJTSA-N 450.587 2.894 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286779575 JGOGHCQHSWZGKB-QGZVFWFLSA-N 490.555 2.538 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1286823691 XVOQHKVPGZKHJK-FQEVSTJZSA-N 457.644 2.932 30 10 JFEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1291071922 HNHAJNURKNOKDZ-UTKZUKDTSA-N 483.598 2.939 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1ccccc1F 1292083330 DNLSFLPHWBJDEK-DEOSSOPVSA-N 469.565 2.896 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOCC1(C)C 1300277320 ZLZLGMCOOFOPSU-QGZVFWFLSA-N 457.575 2.540 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1300302672 CEYRAEHHILGRFH-QUCCMNQESA-N 475.597 2.781 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C1CC1 1300364940 OZCCESBQHRIJIE-LJQANCHMSA-N 463.629 2.645 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCn1cc(CO)nn1 1300430160 IHKQYSSVIVAZAZ-KRWDZBQOSA-N 457.966 2.932 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 1300485816 ZECSRTKSRJVYKI-LGVFNWMJSA-N 499.681 2.687 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1300488258 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C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1301414615 GSPMTFANORRVFV-UHFFFAOYSA-N 459.554 2.735 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301458291 QWTNPTCYRZFBTF-PMACEKPBSA-N 486.621 2.897 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)C(C)C)CC1 1301480759 DTJFIGSFTPHUGV-UHFFFAOYSA-N 489.624 2.959 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1301584833 FCEGYGURDHFCDT-UHFFFAOYSA-N 484.601 2.711 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)C1 1301652197 KUHTZZFLFCFQIE-FYYLOGMGSA-N 466.586 2.707 30 10 JFEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1305242426 AFZJOTVXUBGTKB-RQUSPXKASA-N 468.302 2.829 30 10 JFEE CCN(CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)OC(C)(C)C 1313818789 ANUJADXCTFNNJB-GOSISDBHSA-N 495.632 2.864 30 10 JFEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1315654438 HQSZKOJWPOUDMZ-MBSDFSHPSA-N 473.599 2.821 30 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ACMKETTVNRLYIY-IBGZPJMESA-N 470.599 2.941 30 10 JFEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359128306 POGMJUAJDFJINU-RDTXWAMCSA-N 497.365 2.800 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359182664 PAGOVSGERINGJO-IBGZPJMESA-N 460.623 2.626 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359224063 FGOZROJWCSLZBP-GBXCKJPGSA-N 482.629 2.535 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)(C)C)C1CC1 1359247679 LQGUYQXVNQHLGS-UHFFFAOYSA-N 474.631 2.513 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1)C1CC1 1359251964 ZXBGBWLNHCSWFQ-GHTZIAJQSA-N 475.615 2.542 30 10 JFEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1359552062 BUJYHXUJHSHSKJ-UHFFFAOYSA-N 491.600 2.542 30 10 JFEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1noc(Cc2ccccc2)n1 1473361760 AGHRQZCPXPWJGJ-HKUYNNGSSA-N 450.568 2.782 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1502507122 DZDHZHNUXFBXBH-UUWRZZSWSA-N 488.614 2.554 30 10 JFEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1503634374 CSDIROVFBWOJCN-UHFFFAOYSA-N 464.473 2.760 30 10 JFEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1505158847 BXCZPGGOQPVZNV-FQEVSTJZSA-N 484.626 2.698 30 10 JFEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507560474 HYUIYJCTORJYJE-PUHATCMVSA-N 456.635 2.702 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cccnc1N1CCOCC1 1507609352 RZHYOPJTGDMBTP-UHFFFAOYSA-N 452.946 2.956 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1507632871 BDYXEMAUFWQGSU-FIKGOQFSSA-N 478.565 2.589 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1507702215 SAKVSZULXWZMHZ-HXUWFJFHSA-N 475.590 2.580 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(CC)s2)CC1 1507741094 LCMCMIUWLYKJQY-RXVVDRJESA-N 471.627 2.640 30 10 JFEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC1COC(C)(C)OC1 1507750892 HFZCHBAEMVQBID-FQEVSTJZSA-N 458.584 2.992 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1507923882 FAJNROVLDHHEKR-TZIWHRDSSA-N 492.628 2.618 30 10 JFEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507985607 JVLABPWLNJXVQA-TZIWHRDSSA-N 459.616 2.992 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCS(=O)(=O)CC1 1508041669 JVTMHNZRVRNULO-RTBURBONSA-N 454.637 2.660 30 10 JFEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508070713 FGAGIFNMRSUGIA-LJQANCHMSA-N 459.547 2.782 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1508088608 HHSIARRSOCEWPK-KURKYZTESA-N 462.595 2.561 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508095366 WUWKDYFHYSXNOV-QGZVFWFLSA-N 474.993 2.506 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)CC1 1508150918 RXGJRGVIQFLCLG-UHFFFAOYSA-N 491.683 2.569 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1512172633 GCIMJJXEWLSZIQ-MOPGFXCFSA-N 487.674 2.907 30 10 JFEE C[C@H]1CN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)CCCO1 1512526110 CNOMBVDNLGALAM-YADARESESA-N 485.658 2.901 30 10 JFEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1514687344 FQARBBRHDWGORQ-UHFFFAOYSA-N 472.597 2.906 30 10 JFEE CCN(CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1515558143 HBTBIGHPVOSDSR-UHFFFAOYSA-N 468.602 2.581 30 10 JFEE CN(CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)C(=O)OC(C)(C)C 1517311709 GDFDXMODSVEQGG-XMMPIXPASA-N 496.547 2.501 30 10 JFEE COCCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1518938690 BXUCYFPXFYYJDQ-UHFFFAOYSA-N 483.592 2.914 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C(N)=O)c3cccc(Br)c3)cc2C1=O 1520269251 KIXNXHNWMXXBED-QGZVFWFLSA-N 456.296 2.530 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(OC)cc2C)c2ccccc2Cl)C1=O 1523527993 VYBIEMRNRDBHKD-HXUWFJFHSA-N 455.898 2.839 30 10 JFEE Cc1occc1C(=O)Nc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1 1525126811 HUAGKIQOQQACHD-HNNXBMFYSA-N 459.528 2.811 30 10 JFEE C=CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1530298081 SZGVEBADAOLSFW-QGZVFWFLSA-N 458.565 2.821 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC[C@@H]1CC 1539154977 PYFAGOWEJNYQTN-FQEVSTJZSA-N 458.632 2.529 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1539211790 PBRPWLJSJKLWJJ-KRWDZBQOSA-N 471.608 2.670 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1539259811 HQUYWLWGDMPYOB-UHFFFAOYSA-N 478.553 2.646 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1539333371 BRHUPKSHPWOHLO-HXUWFJFHSA-N 486.601 2.786 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccccc2OC)CC1 1539470228 ZPCYALIBDVPMSC-HHHXNRCGSA-N 495.624 2.536 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCCC2)C1 1539612015 GGESFOJOZVMTFJ-KSZLIROESA-N 454.413 2.975 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1539668919 HLIZBXWCBFAHEN-KRWDZBQOSA-N 464.611 2.761 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1539706184 BFSLSGRLDOXUCO-LJQANCHMSA-N 474.606 2.658 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1539730299 XIAUWDQBTZDMDN-UHFFFAOYSA-N 480.573 2.892 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1539803923 OGXQKJHISQGLEA-DOTOQJQBSA-N 472.036 2.637 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1539918081 JSDTXVJVMCYLGF-ACRUOGEOSA-N 457.667 2.826 30 10 JFEE C=CCC(C)(C)Cn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539928730 GNWRJKRTWYLZRO-KZNAEPCWSA-N 497.662 2.543 30 10 JFEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539974593 RPNLXMLEPCQUMJ-SFHVURJKSA-N 458.588 2.555 30 10 JFEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1540858850 KVKPTVDAGRKYBI-IRLDBZIGSA-N 466.630 2.880 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](SC)C1 1540905173 UITMYCLTVORINV-KRWDZBQOSA-N 455.675 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908135 CKTIDVSANWTCBL-MIZPHKNDSA-N 466.648 2.936 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1540908340 FVWYVQFHQQUIFC-HSZRJFAPSA-N 478.615 2.713 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CC[S@@](=O)C(C)(C)C 1542053290 GHPJHYXGKUERKX-IBADJEFMSA-N 479.676 2.832 30 10 JFEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CCOC1 1547861684 GZEIQQILQOIBBB-RUZDIDTESA-N 469.586 2.881 30 10 JFEE C=CC[C@H](NC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)c1ccncc1 1564084244 GOEQTVCCOJCWJC-PMACEKPBSA-N 457.575 2.952 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@H](F)C2)c1 1587683371 IQTDSVNQWNMZFG-OALUTQOASA-N 452.534 2.709 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN(CC)CC)[C@H]1CCS(=O)(=O)C1 1588050222 PONCSSPFGCIGBQ-QFIPXVFZSA-N 480.638 2.790 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H](C)N1CCCCC1 1588098816 BJJZOSXLKQUASG-OAQYLSRUSA-N 482.654 2.533 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCSCC2)CCCCC1 1588171080 UBUXDEQOZCNWHX-VXKWHMMOSA-N 471.671 2.827 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)CC1 1588962172 XMANVUDQLKTZGL-UHFFFAOYSA-N 488.592 2.892 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)C(=O)C1 1589042833 PAMURMRVMOBHIL-UHFFFAOYSA-N 460.401 2.885 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1589215774 DLJBMMYAKFDZPV-KHCICDEESA-N 491.658 2.819 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCOC 1589530330 UXHLFNQQJXKMSK-UTKZUKDTSA-N 452.559 2.739 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1593752915 TYHHPZQTJFWVGP-UHFFFAOYSA-N 464.545 2.958 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1594448578 IRHLMBZWFQIRKL-HXUWFJFHSA-N 473.021 2.985 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1594732744 HLEJOFBHDJRIKX-JOCHJYFZSA-N 488.658 2.967 30 10 JFEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1594807510 QPDLGNFHZGZFNB-CJNGLKHVSA-N 457.453 2.755 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1595234143 IDFYWEMWLZODEM-UHFFFAOYSA-N 480.657 2.985 30 10 JFEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595330162 MDWDXPWNXGVTRS-HNNXBMFYSA-N 455.531 2.840 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2ccccc2)nnc1[C@]1(OCC)CCOC1 1595830429 BNVYWQUZAIOQEP-REWPJTCUSA-N 460.600 2.873 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC2(CCC2)C[C@H]1CC 1595837747 CNBAVXKNMSGUSP-OTWHNJEPSA-N 452.621 2.762 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCOC2)c1 1596438835 QOULOCQUGKCLHY-OAQYLSRUSA-N 450.944 2.603 30 10 JFEE C=CC[C@H](CO)CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1598057383 CFTPBJABQYVALP-PBTLCFMXSA-N 455.399 2.951 30 10 JFEE C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1611583659 HMTQGBAMPDCKKJ-GHTZIAJQSA-N 472.615 2.545 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 1614908507 BOQYCGAUZLPEPM-URXFXBBRSA-N 492.672 2.585 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1 1636224216 JYWDYASDHQTEOZ-HRAATJIYSA-N 459.543 2.772 30 10 JFEE CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 1670182392 DLPREIFZCFMPPZ-UHFFFAOYSA-N 458.931 2.768 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)NCc2cc(Br)ccc2Br)CC1 1681746876 QJBWETFKMBKWKE-UHFFFAOYSA-N 457.166 2.883 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1689940427 ZAKGEQAOEGWLNK-FQEVSTJZSA-N 450.543 2.689 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1689996536 JHKVVRVJIVOJJN-OAQYLSRUSA-N 495.605 2.634 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1690038656 YMPQTYSCMJTWIW-QGZVFWFLSA-N 475.412 2.914 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCS1 1690042953 JZCNYDHYZAKVGP-SFHVURJKSA-N 456.641 2.987 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccc(C)cc1 1690077174 KKISMNQNHNWOCO-OAQYLSRUSA-N 496.612 2.784 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2csc(CC)n2)CC1 1690110599 SIUCATZENOPLFN-UHFFFAOYSA-N 484.029 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[S@](=O)C(C)(C)C)CC1 1690140314 UJKFTQBDTIGYRV-YTTGMZPUSA-N 455.628 2.767 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(c2nccs2)CC1 1690154006 GXWXKALWQQRYDK-UHFFFAOYSA-N 461.661 2.736 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690240075 BGNJGALNPVSCID-LADGPHEKSA-N 466.630 2.699 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1690240637 IPRFCQAVQSNGGB-DNVCBOLYSA-N 483.997 2.800 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(O)CCOCC2)CC1 1690402549 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1690140307 UGRBQGPPIBRMGM-OAQYLSRUSA-N 473.625 2.905 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1690464780 KJZZEMROAFQZGD-NHCUHLMSSA-N 459.616 2.961 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690662255 WQBBBVMEYIHKPP-UHFFFAOYSA-N 486.064 2.896 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cc(C)on2)cc1 1690680528 UTODPSMLWZFZJZ-GOSISDBHSA-N 457.556 2.726 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnn2)C1 1691224191 FKCCNLMHWSBDDS-JTSKRJEESA-N 473.557 2.516 30 10 JFEE CC[C@@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1694836826 DCXIKOWCZVPIJW-WOJBJXKFSA-N 450.591 2.836 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC1 1698096105 CGLMEOSFWFHVQJ-FQEVSTJZSA-N 456.616 2.640 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1698293550 HHEMMZQJPQRYCF-QGZVFWFLSA-N 496.559 2.973 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@]2(O)CCSC2)cc1 1698487147 BOZQVUIIXLKKSN-HXUWFJFHSA-N 466.533 2.759 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705490740 PSQSGNFTSNKIQP-OKZBNKHCSA-N 463.586 2.940 30 10 JFEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705540090 MTEOWPYUPJBCEI-FCJDFRRUSA-N 470.662 2.599 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(Cc2cccs2)CC1 1705587943 PGUGBJPBGXPALN-UHFFFAOYSA-N 464.639 2.951 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1705595645 AHFUCGJJLUCCHL-UHFFFAOYSA-N 467.533 2.590 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@](C)(O)CCOC 1705599362 XONKJXYKPONHMQ-RUZDIDTESA-N 473.618 2.643 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1705645809 FXHQKGRDOQWKCP-MWTRTKDXSA-N 456.978 2.510 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1705649588 BEQKPKSLCFYGND-RCZVLFRGSA-N 477.609 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCS2)CC1 1705650314 OUSIVJNXIIGFLM-JOCHJYFZSA-N 467.639 2.933 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1705662305 VUCJHMUWURUVBK-UHFFFAOYSA-N 490.637 2.554 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1705716190 BXBMYFPZLLWICT-FQEVSTJZSA-N 459.572 2.808 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CCC2)C1 1705731469 YORODYVLMYUNLD-UHFFFAOYSA-N 489.642 2.795 30 10 JFEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705764243 RVYIXAIAWTVGGF-RDGATRHJSA-N 460.667 2.749 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C)C1=O 1705862883 ASIJTAPGKSXWKX-DEOSSOPVSA-N 463.517 2.735 30 10 JFEE C=CCn1c(N2CCCN(c3cc(OC)cc(OC)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1705893367 FFJSJROISKUGGT-XMMPIXPASA-N 457.575 2.850 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705907270 GJGIMAQQGHKPML-LJQANCHMSA-N 484.601 2.647 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2Cl)C1 1705924997 IYSOYDQBHHXLBK-AEFFLSMTSA-N 468.982 2.997 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)CCn1cccn1 1705933119 UYWHLMPGLZBSIP-UHFFFAOYSA-N 479.404 2.641 30 10 JFEE Cc1nc(CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)cs1 1707773353 BKMGGHWFVJTCAJ-GOSISDBHSA-N 480.642 2.766 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1711073610 AXSYHKHSTVRCEI-NRFANRHFSA-N 470.643 2.953 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](CC(C)C)N(C)C)cc(OC)c1OC 1711653424 AJIQLYDQZYNCBB-MOPGFXCFSA-N 472.590 2.676 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2ccccc2)CC1 1722296692 UFLRSMPOTQKTBR-SIKLNZKXSA-N 455.628 2.550 30 10 JFEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1722311840 LOZZEHQVUNXRRS-UHFFFAOYSA-N 461.574 2.609 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1722363398 SGQHZFPPXOOIGC-LJQANCHMSA-N 453.543 2.657 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722368610 TYULYBXKWOAIFY-PKTZIBPZSA-N 499.681 2.567 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722371565 KDFXETHDTLPUQP-ZJSXRUAMSA-N 484.647 2.659 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)N1CCN(CC)CC1 1722387245 CPMHKKXXEMVMDY-QFIPXVFZSA-N 450.656 2.978 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCN2CCC(C)CC2)CC1 1722433472 WKRQYUUCZHBYMF-AREMUKBSSA-N 472.678 2.586 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[C@@H]2CCOC2)CC1 1722433766 FWOZWVBSQDTNFM-QGZVFWFLSA-N 474.403 2.898 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722442558 ZAHLSNKQJCMUAF-HXUWFJFHSA-N 498.628 2.782 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)c2ccc(F)cc2)CC1 1722446905 BDVVOMZAEPRQEA-LJQANCHMSA-N 453.562 2.865 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1722606539 BLQKSEKVFNQXPE-LJQANCHMSA-N 470.603 2.595 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722625223 MIULPCGBLORHLJ-MRXNPFEDSA-N 454.980 2.823 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 1722709515 RRNZRXXIEBPOPC-IRXDYDNUSA-N 450.584 2.501 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCSC[C@@H]1C 1722724074 MEHRMMDXOQAKOB-INIZCTEOSA-N 458.613 2.878 30 10 JFEE CCCn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O 1728161834 AEHZWJJHTJAZEC-SANMLTNESA-N 490.612 2.967 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cccc1N1CCCC1 1730758518 BFPIWHQAMPVOIC-UHFFFAOYSA-N 469.565 2.668 30 10 JFEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740588802 ZESCATGMLQIPDI-SFHVURJKSA-N 452.584 2.672 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Br)cc2C1 1740591405 OXIPBGRMXFJKKH-INIZCTEOSA-N 463.401 2.919 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1740617486 RWARDOXKASBKIM-INIZCTEOSA-N 464.975 2.501 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1740627217 ZFOBKYUBFGYOGW-HSZRJFAPSA-N 499.681 2.626 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740684963 HCNJPHKPKZBKGM-XMMPIXPASA-N 467.614 2.611 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCCC1 1740686636 XSUQEOUZUXGSRD-LJQANCHMSA-N 488.633 2.524 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1740692904 RBAUVXYQWIIHEJ-QFIPXVFZSA-N 463.504 2.753 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2C[C@@H]2C)CC1 1740709404 GCNXAJMXCXPPKE-FRYIKTPZSA-N 470.618 2.671 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740792927 NIEAQJDESWDBOE-GOSISDBHSA-N 462.595 2.658 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740811042 LFILELHIYUSIIN-SFHVURJKSA-N 466.007 2.744 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC1CCOCC1 1740900665 WARVRKSCOXDKBC-IBGZPJMESA-N 465.595 2.794 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965437 PCOZOAXRNBZPFJ-OKZBNKHCSA-N 470.574 2.938 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1741004524 DFGXWLDQBYBSDU-DEOSSOPVSA-N 489.617 2.951 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1741801871 DGLZPTRMKXKIPI-VXGBXAGGSA-N 458.407 2.791 30 10 JFEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1742298559 GRPXPIFBOVGXCL-RBBKRZOGSA-N 470.643 2.964 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1748761078 MFQQECQEBWGBBT-UHFFFAOYSA-N 454.575 2.909 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1748819415 OJDKKTNKPYBINM-QFIPXVFZSA-N 479.606 2.586 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@](C)(O)c1ccccc1 1748857732 DDMCCFFFCBKRRX-CUNXSJBXSA-N 493.608 2.957 30 10 JFEE C#CCSCCn1c(N2CCN(Cc3cccc(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1749049904 RNQHXUOYJGWZJX-VWLOTQADSA-N 469.655 2.927 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C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OCCOC)c2)c1=O 614891823 BGHKWYBXWGSNPT-UHFFFAOYSA-N 476.554 2.516 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NCCc1ccccc1Cl 1084376480 XGJXJAUZXLDTFQ-UHFFFAOYSA-N 475.918 2.969 30 10 JFEE C=CCn1c(SCC(=O)N[C@H]2CCCN(CCCO)C2)nnc1-c1ccc(Cl)cc1 1141030355 WDAWVJMGBQMLCM-SFHVURJKSA-N 450.008 2.840 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)c1 1158632404 DKTJAWNNVKSVRN-UHFFFAOYSA-N 452.558 2.884 30 10 JFEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C(=O)OC(C)C 1210549533 GWVUSNUPQUFRPK-MRXNPFEDSA-N 451.545 2.694 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)NCC(F)(F)F 1286277092 ATTCGEOUQSRHHY-LSDHHAIUSA-N 453.465 2.953 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(C)C)CC1 1286315818 OHVJSAOWGCARKI-UHFFFAOYSA-N 472.659 2.966 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286388139 LKGRIWNBUUFPIG-IBGZPJMESA-N 485.997 2.872 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOCC1(C)C 1286439337 PJONAIJPBVOXMJ-UHFFFAOYSA-N 457.582 2.705 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)cc1 1286797668 YTYJTSVKDLVJEF-NRFANRHFSA-N 455.603 2.942 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286823645 WZKOGNKAHJBNTO-GOSISDBHSA-N 459.597 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(C)C)CC1 1286825741 WNNJHBUURMCWJD-WOJBJXKFSA-N 467.680 2.764 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H](C)C1 1286960616 HUDLDUOHAHPAKL-SQNIBIBYSA-N 460.604 2.606 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC1CCOCC1 1288154270 CAFWWIZLBCYDNN-UHFFFAOYSA-N 469.565 2.570 30 10 JFEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1299287060 AANMNDAWHQMERN-KNQAVFIVSA-N 481.601 2.785 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1300364141 IBOQZRORFHBAEV-NRFANRHFSA-N 475.659 2.603 30 10 JFEE 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C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C1CCCCC1 1690095259 KRUQYRWDNBKYIH-UHFFFAOYSA-N 491.434 2.923 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1690474131 SOTQGIAOYJDCRU-SFHVURJKSA-N 461.588 2.551 30 10 JFEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1690594628 BSVICQODNIQGBU-UHFFFAOYSA-N 473.647 2.844 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690667201 UTXWTAYZKBPBFH-UHFFFAOYSA-N 475.597 2.594 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690689759 LASHIDNUBZWKEK-VQIMIIECSA-N 466.007 2.661 30 10 JFEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1694409633 BMESQNSRZDEVCN-NRFANRHFSA-N 465.602 2.950 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1ccc(F)cc1 1705575078 XFLHXOVXKQVVLD-RUZDIDTESA-N 494.596 2.666 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705579349 UKMVXNZNJCCYEL-NQIIRXRSSA-N 472.014 2.876 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(O)CCSC2)CC1 1705645229 OJWZQHIHYAVDNG-SQJMNOBHSA-N 467.639 2.654 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2ccccc2)CC1 1705650127 MZKVWWUWTCPCQH-FQEVSTJZSA-N 458.566 2.697 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCN(CC)C2)CC1 1705651350 TWPOCBMHLMTNIM-IBGZPJMESA-N 485.032 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCN2CCOCC2)CC1 1705652955 TVIRIAPYUKXJDG-UHFFFAOYSA-N 496.681 2.567 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705655611 HVAHKDCICMPYCT-MRXNPFEDSA-N 454.021 2.763 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705825176 LNEUTRBWJDBNGV-ROUUACIJSA-N 485.589 2.868 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1705895127 VCLBGOCFHMGMPI-GOSISDBHSA-N 493.395 2.701 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(COC)CC1 1705903542 XTGFNNVVDXLEMA-IBGZPJMESA-N 490.649 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705931168 HWSHDDNZMXHOSQ-ZHRRBRCNSA-N 498.552 2.532 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C(=O)NC 1705940968 UWTYWZNUOXEOOU-ZDUSSCGKSA-N 455.426 2.784 30 10 JFEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1707931697 HXTLQOUPPRAGMO-OAQYLSRUSA-N 498.609 2.980 30 10 JFEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1709307977 GMIPWXQKVANKKH-HXUWFJFHSA-N 472.615 2.779 30 10 JFEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)CC1 1711375703 CBIOLRHLZRKFQX-UHFFFAOYSA-N 465.583 2.780 30 10 JFEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1OC(F)F 1711813199 AAPRNFDMHVBYBA-QKKBWIMNSA-N 464.448 2.524 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722322414 SELPEGRNBFZCOK-ZCNNSNEGSA-N 477.606 2.536 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722338107 DESZBRDSSKPYQT-HXUWFJFHSA-N 470.581 2.862 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1722358747 FTFGMGORSCUVQD-KRWDZBQOSA-N 471.608 2.648 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC(C)(C)C1 1722411359 DYQVSTSHPKZKMX-HXUWFJFHSA-N 474.650 2.963 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1722442711 ZWQRPOCJKZSSJX-UHFFFAOYSA-N 499.681 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)n2)CC1 1722444016 SJAGYWQWAGANQU-HHHXNRCGSA-N 494.640 2.621 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722451443 BXMIDFYIFFANDV-UHFFFAOYSA-N 498.472 2.546 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722461228 PTXAQYSZBVMGOL-UHFFFAOYSA-N 456.616 2.935 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccnn2)CC1 1722479995 KLGKFYMNOOMTNP-UHFFFAOYSA-N 471.319 2.879 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722502493 SSRKFIMKMZUNNW-OXZADQLBSA-N 491.633 2.880 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)cccc2C)CC1 1722565942 GDTLDWOFBWNUOO-NRFANRHFSA-N 459.616 2.627 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1722603684 LIBJEUIVEADNBY-QGZVFWFLSA-N 461.563 2.529 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722684400 PONBSBCBZPUDKJ-NQIIRXRSSA-N 468.602 2.527 30 10 JFEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722686939 YXPPPGDJBRWEDU-LJQANCHMSA-N 468.023 2.585 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCS(=O)(=O)CC)C1 1722716163 TWIFEYOZBLJBMQ-MRXNPFEDSA-N 499.431 2.932 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722729569 OYMJSOQWHXLWGX-HXUWFJFHSA-N 472.590 2.856 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(F)(F)F)C1 1728680800 DZXFZWBISVGXPI-OAHLLOKOSA-N 474.534 2.588 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN(C)[C@@H](C)CC)c1 1740562758 NELUCYCGJJJFAO-PZJWPPBQSA-N 452.603 2.959 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1740576106 XRNWTGVSMXVOCF-VXKWHMMOSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740618856 KYCIRNJJCDEUDD-GOSISDBHSA-N 491.614 2.730 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1740618923 DKXPWEOKAAILMK-FQEVSTJZSA-N 467.595 2.673 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740621601 XMYANVZNMZTCON-SCTDSRPQSA-N 478.018 2.825 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740625140 MNPFKJRMSVYLCT-FQEVSTJZSA-N 490.699 2.525 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)Nc1ccccc1 1740669097 MJHVIHRQEHFOSG-UHFFFAOYSA-N 465.583 2.727 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1740698363 SDDVTFSRLORVJK-UHFFFAOYSA-N 457.626 2.909 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cnn(CC)c2)CC1 1740701556 LNVGSUXGINUNPG-UHFFFAOYSA-N 451.962 2.829 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1740724554 AJTGTUJXVIDWTM-NFBKMPQASA-N 456.612 2.752 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740742893 FMJZCWOPGNVNAM-CQSZACIVSA-N 466.409 2.538 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1740868923 WJDVZAIDAHUVMR-SFHVURJKSA-N 494.625 2.601 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1c1nncn1C 1740870572 QWJFKSCHYJECCQ-IBGZPJMESA-N 470.603 2.632 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2csc(C)n2)CC1 1740955699 DCWGIIXGAZMTQH-UHFFFAOYSA-N 451.600 2.643 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1740957142 CHLYTFXFPXQKNC-WOJBJXKFSA-N 481.601 2.772 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1740962357 BFFAGNKMAYTGCD-SFHVURJKSA-N 470.622 2.703 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1740962706 MFPSYUJGXIWRHX-UHFFFAOYSA-N 464.595 2.631 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Cn3ccnn3)CC2)cc1 1740966962 YZTWSATZJCLYPV-UHFFFAOYSA-N 464.574 2.538 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)C1 1740978838 DAZUZBZAJUHANC-MOPGFXCFSA-N 476.622 2.699 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(C)(C)O)C1 1740982253 ZMSPBFMYKNEOGQ-QGZVFWFLSA-N 452.559 2.617 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(CCOC)c2)C1 1740985886 VIEAKUZNXFMKLO-PWRODBHTSA-N 458.607 2.869 30 10 JFEE Cc1nc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@](F)(C#N)C2)n[nH]1 1742602779 BSTDMYDMEFVDKY-OPAMFIHVSA-N 473.557 2.504 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1747422306 HRIQDQLDZREAFW-HXUWFJFHSA-N 499.685 2.799 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCN(CC)C2)c1 1748694939 UVOFOZQRZWZCRN-JOCHJYFZSA-N 474.613 2.538 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cc([C@H]2CCOC2)cn1 1748787980 LBWRKRYUJLNDTQ-PMACEKPBSA-N 483.617 2.863 30 10 JFEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)c1ccccc1 1749242407 HUQMMJBEAVDBQH-ZOBUZTSGSA-N 473.521 2.758 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1749285664 SIGHYNBOCLRWTF-KRWDZBQOSA-N 479.507 2.735 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C(=O)NCC)CC1 1749331003 BFEVOZIXRKXIPJ-UHFFFAOYSA-N 488.658 2.760 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 1749384432 BLRIZRJKDGMPKG-SFTDATJTSA-N 472.611 2.930 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 1749457964 SWRXUVPCWDHLAG-UHFFFAOYSA-N 473.503 2.996 30 10 JFEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1749464697 BYKYTIOGZNDIJG-CTNGQTDRSA-N 460.648 2.813 30 10 JFEE CC(C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCCN(c2ccccc2C#N)CC1 1750568801 DXEFKLAUEHRXHD-UHFFFAOYSA-N 460.586 2.644 30 10 JFEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1751960230 DDLRQMVWRQCJBU-HXUWFJFHSA-N 484.582 2.937 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cnn(CC(C)C)c2C)c1 1760126404 XUZWBCCGCUJGKZ-UHFFFAOYSA-N 485.596 2.944 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1760186781 GJXYLWHXWFHXDM-FSSWDIPSSA-N 478.659 2.784 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](F)COC)CC1 1760267140 GXIKCWSBSBIUAI-QGZVFWFLSA-N 463.941 2.557 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1760269314 FCVNUGWCIFFXAX-UHFFFAOYSA-N 463.586 2.653 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1760272993 YYOPHEMMOLQELO-HXUWFJFHSA-N 473.046 2.902 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1760280577 KVLVFCWJJPQTQT-FGZHOGPDSA-N 455.628 2.742 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COCC)C1 1760305402 DHVAWHKULMUWPN-HNNXBMFYSA-N 473.375 2.963 30 10 JFEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760308397 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492.665 2.754 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286708903 UJNDMATXXXFICV-AWEZNQCLSA-N 481.420 2.918 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286798622 JSOQQISESRWUGF-UHFFFAOYSA-N 496.637 2.737 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nccn2C(F)F)C1 1286804165 LXXQAWKNXYLDPN-KKSFZXQISA-N 452.506 2.740 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286822382 DGHBJLVBCDKQFA-QFIPXVFZSA-N 491.017 2.812 30 10 JFEE CC[C@@H](C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1291398909 DESRYNCDDSYFBI-KBMIEXCESA-N 460.586 2.654 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 1295572297 VKJWEEJQGPRGOL-UHFFFAOYSA-N 451.589 2.918 30 10 JFEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)c1=O 1295938596 FZONZBZZMSRFMB-UHFFFAOYSA-N 473.581 2.741 30 10 JFEE CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1296073763 HLIYHJFNUSGKDH-LJQANCHMSA-N 482.608 2.628 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C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CCCC1 1358883848 CYWAHESLGIWONN-GOSISDBHSA-N 452.584 2.946 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)c1 1358901688 TZRQUABBERMIKZ-IFMALSPDSA-N 498.653 2.662 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCc2nccs2)c1 1358902288 JVBMTHITKZYIKA-SFHVURJKSA-N 450.568 2.928 30 10 JFEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1358911774 CJLYEWKBKUPHBJ-OAQYLSRUSA-N 456.635 2.547 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1358919715 IRKPIHAYBQYJCW-UXHICEINSA-N 457.962 2.659 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1358964969 LFQOBUUCCYRXQO-HXUWFJFHSA-N 468.579 2.762 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC(F)(F)F 1359000382 UBNWQKHRQAMUQP-HNNXBMFYSA-N 473.521 2.646 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCN2CC)CC1 1359039540 MWLIPBXBSYVVLA-VXKWHMMOSA-N 485.677 2.980 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCN2CCCC2)CC1 1359039562 NPPGFTFCLLSGNV-NRFANRHFSA-N 471.650 2.591 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(OCC)c2)CC1 1359045103 XDMSRIJRNUCOPP-QFIPXVFZSA-N 465.598 2.779 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1359056472 FZMIPLPOAADXOR-IBGZPJMESA-N 490.626 2.785 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CCC2)C1 1359057539 CFISZWGNXXSHPN-LJQANCHMSA-N 491.658 2.960 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359118503 NEDYDUQEQQTMQJ-UHFFFAOYSA-N 455.531 2.983 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NC(C)(C)C)C1 1359321494 HDXRYHAARZZCPX-XLIONFOSSA-N 455.559 2.877 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)C)C1 1359326262 WGBDALBSGWFHIO-MOPGFXCFSA-N 476.622 2.904 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359334745 PMQBYQDZSBADII-BWKNWUBXSA-N 488.654 2.829 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1ccccc1 1507605010 OYPBTPSZZZPMFO-HSZRJFAPSA-N 452.584 2.524 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507625653 ANUPKGIPVYFTNK-OAHLLOKOSA-N 477.999 2.739 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1507701323 DAEKJSOMNCPVKZ-HXUWFJFHSA-N 493.580 2.672 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2ccc(OC)nc2)CC1 1507723165 YEYFWVVDFNLOHZ-UHFFFAOYSA-N 476.581 2.950 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1507734804 YQKMSZMUXKOONH-UHFFFAOYSA-N 492.045 2.778 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507803458 GTHRXYHLHIQPCA-XMSQKQJNSA-N 477.606 2.507 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)CC1 1507807666 SHVONMYYIVRZJD-FYYLOGMGSA-N 482.629 2.897 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1507820964 QSNUKHAUPOQULN-ZWKOTPCHSA-N 476.622 2.904 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1507868482 KUZYAQKWCYHDTB-IBGZPJMESA-N 494.017 2.638 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2cnnn2)CC1 1507904464 QMIAVAVJBJRRRL-IBGZPJMESA-N 471.610 2.872 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1507959533 QNHPKGOXRYUQPE-QGZVFWFLSA-N 474.505 2.709 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCOCC1 1507998770 JFRJLSGLLCKXLB-QFIPXVFZSA-N 450.587 2.957 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1508008466 OLAQWUGJHMHQBR-GOSISDBHSA-N 487.557 2.535 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508086709 OHGXLVFIJAXFEO-SFHVURJKSA-N 472.565 2.756 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(N2CCCCC2=O)CC1 1508144970 VOYVKSPLSOIHMC-UHFFFAOYSA-N 477.656 2.513 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1508145130 XSCYKAZYHQESSA-HXUWFJFHSA-N 463.673 2.843 30 10 JFEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1511884730 HMKHBALLOQEVDI-MRXNPFEDSA-N 451.472 2.808 30 10 JFEE CCN(CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1515713893 BKIOKHXASJEVJF-REWPJTCUSA-N 488.614 2.592 30 10 JFEE N#Cc1ncn(CCNC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)n1 1520763186 DEAFDSAEBARDCH-UHFFFAOYSA-N 454.153 2.719 30 10 JFEE Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C(=O)N(C)C 1524841103 IFIIOGAXESTAOM-UHFFFAOYSA-N 454.552 2.608 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCS(=O)(=O)C1 1539201987 DLFACRGKGHOOGD-NRFANRHFSA-N 469.611 2.815 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1539213146 WMUUAFYKDYEAKS-IBGZPJMESA-N 493.427 2.927 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1539219168 BHOOOZPBSFRYRW-LJQANCHMSA-N 458.584 2.628 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539246832 RQCIDZJAOAZJCC-XPWALMASSA-N 486.576 2.914 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1539257422 JGYWGOZOZYWUDZ-UHFFFAOYSA-N 494.621 2.522 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC(O)CC1 1539327834 GHHDMBFNXCAIRR-UHFFFAOYSA-N 468.605 2.732 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2cccs2)CC1 1539368867 CGIWXRPILFTRGS-LJQANCHMSA-N 461.657 2.613 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1539370517 WVDHHAKQNMIAJA-GOSISDBHSA-N 460.575 2.527 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@H](N1CCOCC1)C(F)(F)F 1539392417 RBHBBVNHXLSQJQ-IBGZPJMESA-N 469.483 2.857 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(F)c1F 1539408980 KKDNLZYDLMQXMP-UHFFFAOYSA-N 488.564 2.845 30 10 JFEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539420456 DWNVVMLBBWTGFL-HXUWFJFHSA-N 452.603 2.765 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2csc(COC)n2)CC1 1539459353 FQEQIXKFNUPGPS-UHFFFAOYSA-N 466.611 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(O)(CC)CC)CC1 1539467592 WNPRPEHFWSOXFC-UHFFFAOYSA-N 480.613 2.664 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2(C)OCCc3sccc32)CC1 1539481592 BNQXIDHUYLGONC-DEOSSOPVSA-N 455.628 2.992 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2nccs2)CC1 1539525719 AZNMWXUZMBSGJC-UHFFFAOYSA-N 456.645 2.679 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1539889903 DLLXWJBIUYRVHY-OAQYLSRUSA-N 471.627 2.527 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540042307 NKENFHVTBIQQJW-MHECFPHRSA-N 490.605 2.974 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1540864312 WADZOPUNBQSGAM-UHFFFAOYSA-N 477.613 2.651 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C[C@@H]1CCCO1 1540870617 RDKBRGQTFHOTNK-MOPGFXCFSA-N 476.622 2.700 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)=O)CC1 1540916422 WXRCUGDGCHEGRA-LJQANCHMSA-N 478.663 2.980 30 10 JFEE N#Cc1ccc(N2C[C@@H](C(N)=O)C3(CCN(C(=O)c4ccncc4)CC3)C2)cc1C(F)(F)F 1548377225 FUEZSTOHUFVGLC-IBGZPJMESA-N 457.456 2.816 30 10 JFEE C#CCN1CCC[C@H](NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 1558328726 FPAVGCUIAGKUNP-KRWDZBQOSA-N 456.524 2.531 30 10 JFEE N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 1562046432 BHKDTYMLEFIEDC-UHFFFAOYSA-N 452.536 2.900 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(C)(C)O)c1 1587614039 BOMPANOWPCVBRV-QGZVFWFLSA-N 466.611 2.972 30 10 JFEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1587831889 VWCPYOFFQCVUFO-OAHLLOKOSA-N 484.395 2.778 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(CC)C(=O)OC(C)(C)C 1587984707 JLXNGPBWZMMCSA-UHFFFAOYSA-N 468.606 2.779 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1588055794 ZQLJXGOJHQCGGT-GOSISDBHSA-N 467.517 2.829 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 1588064736 OCLODFISMGJVKW-QFIPXVFZSA-N 479.606 2.726 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1588068985 DKVHGIOTWXUMHP-FUDKSRODSA-N 486.638 2.916 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1588166633 MAJBMCIGPCEZQS-IBGZPJMESA-N 468.602 2.729 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(N(C)C)CCOCC1 1588604383 ILRSPWUXKJWAJT-UHFFFAOYSA-N 461.994 2.804 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1588732508 BREUNMJRYKMHQE-UHFFFAOYSA-N 491.640 2.551 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1588733354 QVSVIVJZCWFVGT-SFTDATJTSA-N 471.694 2.708 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2snnc2C)CC1 1588743087 XIYZAMXHUQTFQD-GOSISDBHSA-N 467.599 2.780 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCN(CCC)CC2)CC1 1588923505 BMYNIFGTZUFDKJ-UHFFFAOYSA-N 463.630 2.736 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(CSC)cc2)CC1 1588929554 CTIAYGOPJSFGFD-NRFANRHFSA-N 453.612 2.659 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)CC1 1588993020 CGNZJWJZUAVPKZ-UHFFFAOYSA-N 464.433 2.842 30 10 JFEE C#CCSCCn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589126240 XYOHLNHJIPZFFM-HSZRJFAPSA-N 479.647 2.600 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1589306202 XYBJMPJKCFTXJF-SUMWQHHRSA-N 462.348 2.586 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(=O)(=O)CC 1589513739 BQBLCLCBDMAXQN-GHTZIAJQSA-N 476.599 2.568 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1589722172 WOGHFLVRYQYBHW-KRWDZBQOSA-N 464.588 2.951 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1593746338 BOGGDOGKPHYKNX-GOSISDBHSA-N 476.622 2.652 30 10 JFEE C=C(C)COCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593768457 DGTDDTPNNPRVLA-GBESFXJTSA-N 492.621 2.918 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594687097 DMKTZZSJZVDSAX-UHFFFAOYSA-N 462.352 2.523 30 10 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C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1760357060 CUCVNLOTHYKRBY-UHFFFAOYSA-N 496.660 2.928 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2CCCC[C@@H]2C1 1760517184 FUDBVZLYIBXMPE-MRXNPFEDSA-N 489.418 2.693 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760523753 HCJJEXCYRKXRJF-FUMNGEBKSA-N 488.633 2.556 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@H](c3cccc(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528763 LRNITGIXDDZKIV-OFVILXPXSA-N 453.587 2.923 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760556054 TYJSZDYFMYOUPK-IEBWSBKVSA-N 479.578 2.702 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1760556892 SUEHMNWULLDASD-FQEVSTJZSA-N 491.614 2.952 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCCC1 1760566478 VGARHYCJZIIJKH-SFHVURJKSA-N 457.666 2.689 30 10 JFEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1766879868 AYGVZLKSHNWLCE-ISKFKSNPSA-N 493.656 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2282520359 QKCONAJYVLGYTG-GPMSIDNRSA-N 457.380 2.899 30 10 JFEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2282529790 LOMMSJSGMOSSTD-IZHWHUGBSA-N 458.364 2.734 30 10 JFEE CC(C)(C)OC(=O)Nc1ncccc1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282867525 AIFUFUVXQXTSBD-UHFFFAOYSA-N 476.364 2.924 30 10 JFEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282937427 DVSZYFLGLBLMKR-OLZOCXBDSA-N 457.258 2.930 30 10 JFEE COCCN(CC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1)C(=O)OC(C)(C)C 2283949087 VJWBCBREAADUEM-UHFFFAOYSA-N 460.380 2.712 30 10 JFEE C[C@@H](NC(=O)c1cc(=NC(=O)OC(C)(C)C)[nH][nH]1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283959810 QICNUBAVBVKXCV-CQSZACIVSA-N 456.352 2.969 30 10 JFEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2283962919 HAILQVDFMKDQEM-ULQDDVLXSA-N 478.420 2.830 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2283969930 DLHHJZGYKSADIM-INIZCTEOSA-N 463.359 2.662 30 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C#CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 2313556038 JZYLJABEALMRNZ-UHFFFAOYSA-N 454.822 2.756 30 10 JFEE CCOC(=O)C1CCN(c2c(C=C3SC(=S)N(C)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 2314461944 OINMGTIJXSDDOV-UHFFFAOYSA-N 474.608 2.659 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315642701 ISCKFUFBXFFAFW-OAQYLSRUSA-N 451.398 2.962 30 10 JFEE COc1ccc2c(C=Nn3cnnc3SCC(=O)NCc3ccccc3)c(C(=O)O)[nH]c2c1 2321852299 HSKGIJKGDDLKIS-UHFFFAOYSA-N 464.507 2.757 30 10 JFEE COc1ccc2c(c1)c(C=C1Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C1=O)cn2C 2324194692 JPTVJARLKKEYDJ-UHFFFAOYSA-N 477.561 2.927 30 10 JFEE COc1ccc(OC)c(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c1 2332197288 OCFTVXCQSKBERM-UHFFFAOYSA-N 473.537 2.560 30 10 JFEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2337339191 QRWJCNOQWJCHDN-UHFFFAOYSA-N 463.409 2.915 30 10 JFEE CO[C@@H]1C[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CN(C(=O)OC(C)(C)C)C1 2345685965 YIFKZRGJQSQUEZ-CABCVRRESA-N 452.332 2.923 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1)C(C)(C)O 2361641747 PSMGNTYMPGYJIJ-KRWDZBQOSA-N 480.436 2.596 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361644410 VKBRFVVQDMOCIS-FUHWJXTLSA-N 478.420 2.614 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)CC1(C)C 2362354644 VEQWGXHJVRZZAA-HNNXBMFYSA-N 462.400 2.627 30 10 JFEE CC(C)(C)OC(=O)NCC1(O)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC1 2364737471 YCYRHAMFWRAJNT-UHFFFAOYSA-N 457.380 2.713 30 10 JFEE COc1nc(N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365345186 YJAVPKPUPNOANO-RDJZCZTQSA-N 463.384 2.508 30 10 JFEE CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC(F)(F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 4212692 YXKFATPOEMHNMJ-KJEYTGHBSA-N 470.484 2.712 30 10 JFEE biogenic,in-man N#CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)c(C(=O)O)c2)CC1 33006874 YUJJOSBBUKVBBR-UHFFFAOYSA-N 493.383 2.984 30 10 JFEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1-c1ccc(Cl)cc1 59795037 HLXJOZUAUAVOOZ-UHFFFAOYSA-N 482.016 2.944 30 10 JFEE CCCCCCCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OCC)cc1 100154174 VJTQTGYDYKAGIG-LJQANCHMSA-N 463.600 2.804 30 10 JFEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3cc(F)ccc3OC)C(=O)C(=O)N2CCN(C)C)cc1 102748289 RGRCHGSHZCHSHS-LCPUNJGISA-N 456.470 2.604 30 10 JFEE CCCOC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)[nH]1 253567853 KOLVDBXCFIPXLB-OEAKJJBVSA-N 484.586 2.627 30 10 JFEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OCC(=C)C)c2)c1=O 523652460 YIUXIFCCXGJUSS-UHFFFAOYSA-N 450.560 2.932 30 10 JFEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 608827460 DKBTWVLFPAXFBS-UHFFFAOYSA-N 462.962 2.843 30 10 JFEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1Cc1ccccc1 609219923 MHSNELUEPFDMIN-UHFFFAOYSA-N 487.625 2.947 30 10 JFEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H]1[C@@H](C(=O)O)C1(F)F 757502126 FUBUMQKQIWBBSO-CTNGQTDRSA-N 454.429 2.611 30 10 JFEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1ccccc1Br 1084141162 OWNPJFIFIDMDFM-UHFFFAOYSA-N 462.333 2.637 30 10 JFEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cc1 1084394248 IAFSKBGLXYNFDI-UHFFFAOYSA-N 459.919 2.609 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1154116649 IDLDLAVMGNUTQQ-UXHICEINSA-N 456.543 2.586 30 10 JFEE C[C@H](CC(=O)NCc1c(Cl)cccc1-n1ccnc1)/N=C1/NS(=O)(=O)c2ccccc21 1159294287 FUDHNIGCDPKJKM-CQSZACIVSA-N 457.943 2.659 30 10 JFEE CN(C)S(=O)(=O)c1cccc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 1216134407 GVZAMLBDWCEXQL-UHFFFAOYSA-N 458.931 2.969 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1csc(CC)n1 1286280388 YWPRFJMKGJLISE-MRXNPFEDSA-N 472.640 2.915 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286391782 GFLZKWJFOJKNJQ-VWPQPMDRSA-N 472.611 2.922 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1286505707 KOZSJOYTIDLLLJ-UHFFFAOYSA-N 459.566 2.962 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286588019 YCTJROISBOPUTP-BSRJHKFKSA-N 475.615 2.544 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286673041 SZGYZGHELPLLHJ-CEMLEFRQSA-N 458.651 2.763 30 10 JFEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286777153 FHYSCTWHCHPVGC-UHFFFAOYSA-N 488.639 2.881 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286779654 LCGOSMFUVPZKGI-UHFFFAOYSA-N 458.994 2.984 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1ccco1 1286787393 UOBJZQSCJUVZIO-UHFFFAOYSA-N 461.526 2.597 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H]3CCC(=O)N[C@H]3C2)cc1 1286793687 JOTUPLZQPSVOJG-NQIIRXRSSA-N 466.586 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2c(Cl)cccc2C1 1286820893 UPOKKTQDPTUODI-KRWDZBQOSA-N 450.992 2.989 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H](C)C2)CC1 1295016848 DCKWEVVTKWHQRB-FQEVSTJZSA-N 499.685 2.847 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@H](C)CC#N)CC1 1296193120 HNHNYSXQMRXEIQ-RBUKOAKNSA-N 453.591 2.686 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1300365552 YTNWIGHHCTUHNJ-WOJBJXKFSA-N 486.617 2.591 30 10 JFEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300467272 FOANCOOJWBBIJU-WDSOQIARSA-N 472.615 2.728 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCO[C@H]1C 1300674607 AJDIEFVAZPODLI-DFBJGRDBSA-N 456.587 2.781 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1300684085 XBGMQUAQOZLQCG-YADHBBJMSA-N 490.574 2.838 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(OC)ccc2OC)CC1 1300685713 SIQZBFINSHUXDC-UHFFFAOYSA-N 485.386 2.856 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cnccc2OC)CC1 1300691005 MBLOVZXRWHOOOU-UHFFFAOYSA-N 452.946 2.814 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(F)cccc2OC(F)F)CC1 1300725080 FXNQHTYMMZZFIU-QGZVFWFLSA-N 491.514 2.927 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1300756124 GBFBVYFAQFQJSW-HZPDHXFCSA-N 474.656 2.928 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1300761411 CLZGWCGLEZYHMK-NJDAHSKKSA-N 479.716 2.637 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1301196709 IFUXQPAPELGFSF-WOJBJXKFSA-N 452.669 2.947 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301241546 RZZXPQUFUYWSOK-CQSZACIVSA-N 451.369 2.685 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1301483144 IEGSFQCINTYOFD-UHFFFAOYSA-N 470.921 2.847 30 10 JFEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301509699 MGZSMKVFIZDDCQ-IBGZPJMESA-N 493.612 2.934 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301514093 DUPTVOLPDVVMHP-SFHVURJKSA-N 459.978 2.944 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2)CC1 1301577095 JWAPHDMKIFDAOT-UHFFFAOYSA-N 473.002 2.921 30 10 JFEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301617313 CMZSPCCIBDNMCR-UHFFFAOYSA-N 451.600 2.569 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC(F)(F)C1 1301805024 ANYCPSAVZMJEIW-INIZCTEOSA-N 457.489 2.723 30 10 JFEE CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1303014949 DCYYMDYFPSFWSH-FNZWTVRRSA-N 489.628 2.828 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc2c(n1)CCCC2 1303807565 ARJFYIXIHATGCI-KRWDZBQOSA-N 479.610 2.718 30 10 JFEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)s1 1306053666 BIORVRGQJPBWIN-KRWDZBQOSA-N 450.572 2.584 30 10 JFEE CCCNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1313480249 BTYUXXBXQLOMES-OAQYLSRUSA-N 469.565 2.773 30 10 JFEE Cc1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)cc1S(=O)(=O)N(C)C 1348056138 HCSQDYUQGAMNSE-UHFFFAOYSA-N 452.330 2.897 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCn2ccnc2C)c1 1358901852 YJWHLIAOVHNWSQ-UHFFFAOYSA-N 454.538 2.992 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358962513 QZHWQJSGHITVRE-YADARESESA-N 483.594 2.634 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1cc(C)oc1C 1358985976 LCPHDZQWMKXQKM-DQEYMECFSA-N 454.571 2.899 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1358990816 CKZVSXKWRPWBPB-UYAOXDASSA-N 451.575 2.787 30 10 JFEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(=O)(=O)Cc1ccon1 1359003356 HYBFBIHHHIJKFT-INIZCTEOSA-N 488.639 2.699 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(C)(F)F)CC1 1359028914 JEVKOFBQAPTGQM-UHFFFAOYSA-N 450.921 2.662 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN(C)CC(F)(F)F)CC1 1359033090 PAEUTXXIZUNGOX-UHFFFAOYSA-N 450.509 2.593 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1359046466 SNTHVMMUQWXUMN-FQEVSTJZSA-N 488.592 2.706 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1359047368 DJXXELVAMPOYFE-DHIUTWEWSA-N 464.614 2.707 30 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492.495 2.926 30 10 JFEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1)N(C)C1CC1 1510080002 FWHYLKSBOKFRPJ-QGZVFWFLSA-N 477.535 2.896 30 10 JFEE CCN(CC)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1515560535 HMPIZFBOHZYIOH-DEOSSOPVSA-N 453.566 2.846 30 10 JFEE COc1ccccc1OC[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1518500426 GFXCPSLUJSLJLN-HKUYNNGSSA-N 473.599 2.644 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1539049412 NKNJWNRQJKNDLE-CVDCTZTESA-N 453.587 2.923 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1539230130 KLHWEGAJGQFRMJ-LJQANCHMSA-N 470.620 2.831 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCCn1cc(Br)cn1 1539260787 UVPGNHJROAASNX-UHFFFAOYSA-N 484.358 2.518 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCC[C@@H](C)C2)CC1 1539483188 SXSBOVUXOASWFI-LJQANCHMSA-N 484.595 2.845 30 10 JFEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1539602897 CMDYKNCZDGJJOB-UHFFFAOYSA-N 493.431 2.829 30 10 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30 10 JFEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690524578 ODFZNPPQBZUGTR-QGZVFWFLSA-N 477.491 2.869 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1690573774 CQQCGHXCDZNTQG-IRXDYDNUSA-N 475.644 2.602 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCOCC2)c1 1690583260 FDGOVIPVGPZJHC-UHFFFAOYSA-N 450.587 2.573 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCOCC2)C1 1690660866 PVMQCCWXFCSBFC-LJQANCHMSA-N 485.585 2.505 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1690660945 RJROMAKXDOZTCH-KRWDZBQOSA-N 455.538 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1690720444 JLRCKPASOSLUEU-UHFFFAOYSA-N 499.559 2.749 30 10 JFEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@](C)(C#N)C2)on1 1693540290 ALZLKMOQIHFWAH-JOCHJYFZSA-N 469.571 2.670 30 10 JFEE CCO[C@]1(c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(C)(C)C(C)C)CCOC1 1696084449 FTNRZPUUKJJSJI-KBMIEXCESA-N 482.633 2.989 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C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690629106 DGIHBWTZKPVHIP-IRXDYDNUSA-N 451.568 2.851 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690661005 SKBALYHURHWRGV-WOJBJXKFSA-N 468.602 2.832 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690664309 OFLFENARJCAEIX-KRWDZBQOSA-N 490.395 2.964 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1690676321 WSBHVDAMWSQNSR-FQEVSTJZSA-N 479.585 2.823 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(=O)NCCC)CC2)cc1 1690679922 CPKGITOKWKRQGB-OAQYLSRUSA-N 466.586 2.585 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C1 1690684804 OQGAALGZGSTLEP-LJQANCHMSA-N 489.020 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(C)c2)CC1 1690726597 FRKOCOYGWMYMQZ-UHFFFAOYSA-N 486.667 2.870 30 10 JFEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690735680 GANYRHGZWUFQCJ-QHCPKHFHSA-N 489.598 2.921 30 10 JFEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690736918 SKHBTZSDURPYRH-UHFFFAOYSA-N 460.629 2.502 30 10 JFEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)C[C@@H]2C)CC1 1690828143 COHRLMPPYZBQPT-GBXCKJPGSA-N 479.629 2.621 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705508081 JCLMBQOOLOGXMT-UHFFFAOYSA-N 453.547 2.786 30 10 JFEE C#CCCCn1c(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1705539334 PAFGBDQCOQXMQH-CPJSRVTESA-N 466.586 2.902 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1cccs1)N(C)C 1705545134 QFZKPTDOXNOHIV-LJQANCHMSA-N 472.640 2.629 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C1CCCCC1 1705605330 HZWKHWXJYKFEGZ-UHFFFAOYSA-N 485.658 2.797 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1705619255 LRJVCLFHMNBGEY-AREMUKBSSA-N 485.604 2.820 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(OCCOC)CCOCC2)CC1 1705637165 LWLSKTSIAWYPBX-UHFFFAOYSA-N 474.005 2.566 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705648453 XBRUUUCIJHWFNU-XLIONFOSSA-N 470.618 2.767 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 1705654137 YMTIPJWHLGMHAX-QGZVFWFLSA-N 478.018 2.733 30 10 JFEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705727527 KTYKCICMKGDUDP-UHFFFAOYSA-N 450.522 2.813 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1705867386 NANNWROZSUJYKO-NRSPTQNISA-N 470.618 2.912 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1705898752 WOZNCTGPYQRKQQ-UHFFFAOYSA-N 483.960 2.596 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705930556 PZFAKJJTJHKICF-IBGZPJMESA-N 491.633 2.813 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(c2cccc(OC)c2)CC1 1705932022 IDWLXPGGRBDVGS-UHFFFAOYSA-N 468.583 2.729 30 10 JFEE CCCNC(=O)c1cccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OCC)CCOC2)c1 1709808022 ARZKZAIYOKGJTN-ZEQRLZLVSA-N 470.549 2.560 30 10 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10 JFEE C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722518831 PFAKUGXVLQCDKD-UHFFFAOYSA-N 461.570 2.551 30 10 JFEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(=O)NCC)CC1 1722578751 ZRWHYTNDAYKOTK-UHFFFAOYSA-N 473.647 2.803 30 10 JFEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722591903 SGMQJSKIBWKZEU-SQNIBIBYSA-N 479.647 2.884 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(=O)NCC)CCC2)C1 1722715731 QHDRTAQZYMYHSV-IBGZPJMESA-N 454.531 2.941 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCS1 1727833488 DTWLVQNAFPUVHD-WIYYLYMNSA-N 456.616 2.781 30 10 JFEE CCCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1728202900 FZRXGPFSBNRSLD-UHFFFAOYSA-N 462.558 2.502 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1728709105 CVPYFWPTHDUQEC-NRFANRHFSA-N 462.558 2.898 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCc2nc(C)no2)c1 1740562962 OPAKXEIYHXHLFQ-HXUWFJFHSA-N 463.542 2.900 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1740607093 CYFDIIXYFUDFQO-UHFFFAOYSA-N 456.554 2.815 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1740622099 UKXQKSDKCWPVBO-MOPGFXCFSA-N 469.611 2.879 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740627545 IGASMWLFCAVSFD-RDJZCZTQSA-N 499.420 2.827 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCCC1 1740652547 DQPXKKCTSFOELW-UHFFFAOYSA-N 467.643 2.576 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCSC1 1740679329 USGKZQUPSZZOOT-HSZRJFAPSA-N 454.575 2.787 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)n1 1740688152 RCAUITIWIWWGFR-UHFFFAOYSA-N 470.512 2.882 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1740698332 DHJDNROPUFEWNB-UHFFFAOYSA-N 487.530 2.884 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncc(Cl)n1C 1740742967 HJAOSZMHOSKCDT-UHFFFAOYSA-N 468.743 2.938 30 10 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CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337334606 OPUDQMNBSHABNW-PXTGODKCSA-N 485.437 2.690 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CCO1 2364757169 DVXYIBPZXFHQAJ-OXJNMPFZSA-N 457.380 2.976 30 10 JFEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CCO)COCc2ccccc2)c1 2369541880 OIRPNOQLCIXYDW-IBGZPJMESA-N 455.360 2.692 30 10 JFEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 20527710 FKJJEFQPBARINH-UFFVCSGVSA-N 459.605 2.780 30 10 JFEE Cc1cc(N2CCN(C)CC2)nc2ccc(N/C(S)=N\CCCN3CCN(C)CC3)cc12 22932049 AXFZHCWYAXFSPB-UHFFFAOYSA-N 455.676 2.630 30 10 JFEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 102700265 LVIPXULZHCFADK-RKKARLDVSA-N 454.498 2.978 30 10 JFEE COc1cccc([C@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)c1 103091794 UMIAMSDBLWWINZ-JRURIKFDSA-N 490.560 2.795 30 10 JFEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCN(C)C)cc1O 170111515 HVMKMIRSDUKPHA-FQEVSTJZSA-N 455.467 2.839 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OC(C)=O)c1 170320666 RGCSOIKHZXMPEQ-OAQYLSRUSA-N 453.447 2.608 30 10 JFEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)NCC(C)C)[nH]1 253564814 GYMHDIOZYQGHMV-FSJBWODESA-N 455.592 2.675 30 10 JFEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@H]1O 256022330 NCPWESPFIQMGOX-RSHTWHGRSA-N 467.518 2.704 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 519874893 TZLYLMDYUUYRDP-UHFFFAOYSA-N 461.544 2.550 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(CC(=O)Nc4ccc(OC)cc4)c3)cc2C1=O 520314503 WUSXINMAWFFVOS-UHFFFAOYSA-N 459.462 2.565 30 10 JFEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(C)CC3)C(=O)N(c3ccccc3F)C2=O)n1 526694716 RHMQPNAABKDKJD-UHFFFAOYSA-N 451.527 2.834 30 10 JFEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)C 729671349 HBVMZKLGBJLJEE-UHFFFAOYSA-N 457.559 2.664 30 10 JFEE N#Cc1c(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)sc2c1CCC2 1083925401 LDKFJRBYORMLTI-UHFFFAOYSA-N 455.525 2.815 30 10 JFEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1N 1084111225 GCYUXYOJVHACEN-UHFFFAOYSA-N 498.642 2.985 30 10 JFEE CCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(C(F)(F)F)cc3)n[nH]2)cn1 1084650604 MNINIXJLRIATSA-UHFFFAOYSA-N 452.466 2.894 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)c1 1286309226 IJAKUQMZRDSFJH-FQEVSTJZSA-N 490.530 2.865 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)c2ccccc2)CC1 1286313869 GJUNRSHFNBVCHJ-LJQANCHMSA-N 458.632 2.797 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286389677 OMEISMYBGBHKFX-YADHBBJMSA-N 496.637 2.819 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCC1 1286428663 FCUYINZZAUOCEV-OAQYLSRUSA-N 454.619 2.951 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)CC(F)(F)F)CC1 1286475620 CVTWOYNPWZXIDJ-UHFFFAOYSA-N 485.352 2.957 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(C)noc2C)CC1 1286487141 DFTSEDKWEOWBRW-UHFFFAOYSA-N 486.374 2.655 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)SC)CC1 1286487728 XMKKVRCTJBNAGG-GOSISDBHSA-N 468.627 2.865 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286535576 QPJJVWGEUROFCT-KRWDZBQOSA-N 472.796 2.917 30 10 JFEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1286535734 FXECEMYLMBOMLI-UHFFFAOYSA-N 479.404 2.905 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286620036 FSJCOLAMCYBRNH-PBHICJAKSA-N 457.959 2.828 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286778446 AQZILNJEEKVQQD-OAQYLSRUSA-N 495.628 2.675 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286779437 IXOSFMXODBHTIK-UHFFFAOYSA-N 473.006 2.641 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286817452 SQVYVQURLIMQGM-MOPGFXCFSA-N 466.991 2.584 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1286821897 VZOYMDQACBSVOJ-UHFFFAOYSA-N 469.652 2.915 30 10 JFEE C#CC[C@]1(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1296572748 YQVYFPUMUHDLGE-UZUQRXQVSA-N 451.564 2.532 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1298186448 FZRQBJDEDIVJTH-IRXDYDNUSA-N 465.526 2.787 30 10 JFEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300340456 ZYXXDGNJTNBKOB-HXUWFJFHSA-N 496.587 2.632 30 10 JFEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300423371 NEYLJSUYJRKSGM-QFIPXVFZSA-N 464.614 2.576 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300487539 KLWOKDMIUOEJFL-MOPGFXCFSA-N 487.626 2.793 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCN2CCC[C@H]2CO)CC1 1300690092 AVNAGAZSUTWAEX-QFIPXVFZSA-N 457.022 2.591 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300708443 SETVCCGTQRSFLW-RUZDIDTESA-N 480.657 2.586 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(CC)cc2)CC1 1300712130 MTLDWKXFKMQCRY-UHFFFAOYSA-N 485.592 2.696 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1300734559 XFFHXLJGQVWWIE-CYFREDJKSA-N 469.611 2.898 30 10 JFEE C=C(Br)Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300861486 JBAHCWWVQPFTLF-LJQANCHMSA-N 457.369 2.617 30 10 JFEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1301164600 BFSLXGBJTVQSQC-ZEQRLZLVSA-N 460.582 2.965 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301251309 BJIMQQDOXLBSPH-OALUTQOASA-N 476.622 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS[C@@H](C)C1 1301576753 ZRWJOWXPTGBLSB-INIZCTEOSA-N 458.613 2.878 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1301609134 DCZYEPZAECQVKU-UHFFFAOYSA-N 495.653 2.806 30 10 JFEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 1301755314 TVOPISQODDBLFN-HXOBKFHXSA-N 456.580 2.822 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1301967795 GWKQTBYTCKXAHP-NEPJUHHUSA-N 458.407 2.648 30 10 JFEE CS(=O)(=O)CCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1302457912 GBFFORXQDYLDOP-UHFFFAOYSA-N 463.007 2.517 30 10 JFEE C#CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656283 TXIYXYKFRSKRDP-UHFFFAOYSA-N 458.515 2.576 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1306549348 AIEISPVDLLSLLW-CTNGQTDRSA-N 480.617 2.665 30 10 JFEE N#CCOc1cc(F)ccc1NC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1310430315 BDXGVVLUDDTGKZ-UHFFFAOYSA-N 451.502 2.857 30 10 JFEE CCN(CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1313817211 HTRYVGBDJSNHTC-PXNSSMCTSA-N 484.557 2.776 30 10 JFEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)C1 1314986868 CJTXRZUQHUYHQP-HXUWFJFHSA-N 467.643 2.607 30 10 JFEE C#CCCCn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936040 AUGGAPPIEBOHRF-VWLOTQADSA-N 483.617 2.556 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358939517 YDNCWZHHIZFRMA-INIZCTEOSA-N 459.522 2.920 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(Cn2ccnc2)c1 1358950179 ZQGJDXIYCOCKNN-QFIPXVFZSA-N 491.596 2.949 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1358958081 HHGHWSPPXUJMQT-WBVHZDCISA-N 466.966 2.791 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)c1nc(C)cs1 1358971944 NYBUTTKFGNIEJV-MRXNPFEDSA-N 453.593 2.990 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1nc(C)cc1C 1358979514 PEULAPLLLXPDKB-OAQYLSRUSA-N 481.601 2.563 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN(C)C1CCCC1 1358983669 RIQLOCPRFQMJON-BGYRXZFFSA-N 454.619 2.996 30 10 JFEE C#CCN(CC)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359006334 QBCBXOSDRDFNFY-HBFSDRIKSA-N 452.559 2.824 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359059958 FYBBPLPLZLDIHI-GMAHTHKFSA-N 469.655 2.997 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359075676 BTQUVGGNYITHPE-UHFFFAOYSA-N 472.391 2.519 30 10 JFEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1359116893 JESUMWMLZRIESB-INIZCTEOSA-N 457.966 2.994 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359123865 UKYPEEKYOKUABM-UHFFFAOYSA-N 470.521 2.741 30 10 JFEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1359158363 OQHZYSFIGBFMMC-UHFFFAOYSA-N 455.559 2.939 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359193107 XBEYJPTUTMRYMW-CALCHBBNSA-N 467.636 2.886 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359297665 XVMKMSKNRWUQLI-UHFFFAOYSA-N 462.554 2.856 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2SC)C1 1359314172 XBFUTCRIHIMQSD-CABCVRRESA-N 469.608 2.579 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1359316505 PTAOJYXUJAZUMZ-YLJYHZDGSA-N 459.978 2.875 30 10 JFEE 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C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705932516 FRHICUCVYOUBKU-HDICACEKSA-N 482.050 2.745 30 10 JFEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705945866 UFPLWMGIQJWPPW-FQEVSTJZSA-N 472.615 2.981 30 10 JFEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)C1 1706940251 DHZAUFWYWGBOGE-SFHVURJKSA-N 454.478 2.683 30 10 JFEE Cc1cc(C)n(-c2ccc(Cn3c(C(=O)Nc4ccccn4)nnc3N(C)C[C@@H](C)C#N)cn2)n1 1707807649 ICGFVAQZNKFFHG-INIZCTEOSA-N 470.541 2.767 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(O)(CC)CC)CC1 1709997534 AIIGZDHZUKJHRW-UHFFFAOYSA-N 481.645 2.748 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C1CCCCC1 1722283447 VAMULERAUNPQKQ-LJQANCHMSA-N 472.659 2.918 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(NC(C)=O)cc1 1722293848 OJICUUDCWKXVJR-KRWDZBQOSA-N 479.610 2.897 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(N(C)C)CCOCC2)c1 1722305039 LRYWZIMFECYJMD-UHFFFAOYSA-N 473.581 2.507 30 10 JFEE 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473.643 2.555 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(CC(N)=O)CC1 1722509452 MXQAMSNSEMVHOH-RDPSFJRHSA-N 453.587 2.951 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1722516608 BSQBORPZMFBUEC-NHCUHLMSSA-N 482.695 2.524 30 10 JFEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722524666 JXHBWYUPAIJJMY-UHFFFAOYSA-N 473.537 2.847 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722593014 FVHLPJRCTUDSQY-SPEDKVCISA-N 452.621 2.619 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1722669174 PEIXFMYMMLPHNS-XMMPIXPASA-N 450.543 2.659 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722685497 FIFYEQBLKAXTNE-RBUKOAKNSA-N 498.632 2.976 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(=O)OC)C1 1722690550 KVMBARBJCAYCJY-OALUTQOASA-N 455.559 2.727 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1722729582 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C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749390196 CBBLHEPUKWTYOS-PMACEKPBSA-N 466.586 2.538 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1749493551 GVPAWMBUKZNLEI-SFHVURJKSA-N 471.562 2.610 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1749663901 SZBYOUXHTBAOAQ-UHFFFAOYSA-N 492.584 2.891 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1749717372 KDAZFLIXYLKTCI-SJORKVTESA-N 498.575 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1749726874 HPXAGAMFENVJBZ-AWEZNQCLSA-N 456.355 2.581 30 10 JFEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cccnc1-n1cccn1 1750914049 ARQGGVNPUVCBLI-UHFFFAOYSA-N 455.526 2.553 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nc(C)c(C)s1 1760103022 WXMAUBUBSWSMPD-OAHLLOKOSA-N 472.640 2.969 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2csc(CC)n2)c1 1760127739 KICULJFUDPTEEX-UHFFFAOYSA-N 477.594 2.524 30 10 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1359100859 HDVPSWKQDUKNMS-RDPSFJRHSA-N 487.048 2.762 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359168250 NBRYPRBJORFOGZ-GOSISDBHSA-N 482.585 2.909 30 10 JFEE C=CC[C@H](Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1359196077 XCAYSQGFYVCZSG-DPLHUUCSSA-N 474.627 2.913 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1359300672 IDCOELOHKWAGGM-UHFFFAOYSA-N 454.604 2.500 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1359311329 XXUYPJBTYLAQLX-RDPSFJRHSA-N 453.543 2.661 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)OC(C)(C)C)C1 1359317650 NLUUFJYQAQEPHS-KRWDZBQOSA-N 457.531 2.980 30 10 JFEE C=CCSCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359346542 NUHMZGDKDWOUIZ-FGTMMUONSA-N 499.703 2.981 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1360477969 COOAZMOYXDOZIP-MRXNPFEDSA-N 483.063 2.639 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(NS(=O)(=O)CCC)c2)ccc1F 1360551254 IYUOXQCYLPBNDW-UHFFFAOYSA-N 455.533 2.694 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 1465542886 OFGYLRZMQVYFOL-OAHLLOKOSA-N 459.952 2.767 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H]2COCCO2)cc1 1505318023 DPQIWGJWYRNBEP-SJLPKXTDSA-N 451.449 2.923 30 10 JFEE C#CCCCCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507559798 YYPCMSGCSPDVLW-NJDAHSKKSA-N 499.637 2.875 30 10 JFEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1507590995 ICLWSGSCFVWRJU-NRFANRHFSA-N 478.645 2.854 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1507628828 YMRYWMXPRLRJLO-IBGZPJMESA-N 456.593 2.999 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1507654854 TXHUBCXSTLGZQK-BGYRXZFFSA-N 452.628 2.710 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)n1 1507716148 HJMMDIRHDWKTFG-QHCPKHFHSA-N 457.538 2.992 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC)N2CCCC2)CC1 1507735090 KCKBJMWVUTYYJT-QHCPKHFHSA-N 459.598 2.657 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1507741245 NVHMVJOHXVRBLE-UHFFFAOYSA-N 484.029 2.732 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OC)c(O)c1 1507751894 OLOXNIHNNNYZFX-UHFFFAOYSA-N 455.540 2.723 30 10 JFEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507755935 DPDCDXRTGBPYQZ-JOCHJYFZSA-N 469.655 2.999 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1507769291 ABRVCSTYTBTKHD-RUZDIDTESA-N 462.598 2.956 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)COC)CC1 1507780416 BUCLHZZOUHWBLY-UHFFFAOYSA-N 464.364 2.594 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507800897 ZDKUTSQBSLBOAY-QUCCMNQESA-N 451.637 2.777 30 10 JFEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1507919919 SQCNCCVJYLTYHK-UHFFFAOYSA-N 458.582 2.809 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507983660 QZTFXMFWQPXPJG-UHFFFAOYSA-N 490.612 2.590 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1508049468 XBFTXZFHKRAFTQ-BBRMVZONSA-N 459.494 2.671 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)C1 1508109317 QHAGXZIJLALIFN-XZOQPEGZSA-N 482.629 2.580 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1508135712 OEIZOUQPEDMMRB-GOSISDBHSA-N 461.979 2.632 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1510103735 FBJBRRRBNTZUHX-NRFANRHFSA-N 481.645 2.618 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OC)c3ccccc3Br)cc2C1=O 1538712766 RWXGYGBIKPKAAA-QGZVFWFLSA-N 457.280 2.875 30 10 JFEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539112079 HURWALMSHGOQOI-UHFFFAOYSA-N 474.613 2.535 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539210344 BROYLHRKYUQRAK-SFHVURJKSA-N 459.934 2.808 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 1539220605 UBWTUEYZVXTUER-WOJBJXKFSA-N 473.618 2.769 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1539224285 DVYACUJPGLHVDV-PGRDOPGGSA-N 456.612 2.739 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cccc(N2CCOCC2)n1 1539288998 KQLWCUBRCKYLNQ-UHFFFAOYSA-N 470.577 2.827 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(=O)Nc1c(C)cccc1C 1539420858 LAHOFPNSRSKCPU-UHFFFAOYSA-N 452.584 2.975 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1539454657 WWXPONSGCAVWHK-QFIPXVFZSA-N 450.631 2.559 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1 1539619763 HWLHVRVGOOMCNG-CTNGQTDRSA-N 456.547 2.603 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539633615 ZTRXVDVXLYYFOT-ZRNYENFQSA-N 452.621 2.557 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OCC(F)(F)F)c1 1540058177 QWZRWGNXIAGUJO-UHFFFAOYSA-N 471.447 2.927 30 10 JFEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1540059125 NTKKWDRJHFKHRN-UHFFFAOYSA-N 457.531 2.632 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCO1 1540119170 AVLDCQJBDLZTFA-XLIONFOSSA-N 458.588 2.522 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1540147871 ORCYWMGQYUOLOQ-OAQYLSRUSA-N 453.591 2.927 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCOCC2(CCC2)C1 1540874301 BCTTWTSQTLHPQH-UHFFFAOYSA-N 490.402 2.929 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(=O)NC 1540914510 ALTONVQIQLISRM-QGZVFWFLSA-N 466.652 2.884 30 10 JFEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)C1 1541039857 ICUMGOJOQIDNDB-OFNKIYASSA-N 479.629 2.954 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O 1543830408 GRUWKOJUOGAORG-CYBMUJFWSA-N 450.720 2.813 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1545290524 FEGHGHGUONNKGK-OXJNMPFZSA-N 451.579 2.575 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCC2)CC1 1545710546 CVYJGKNWYFRSDO-FQEVSTJZSA-N 479.629 2.670 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](SC)C(C)(C)C 1548169091 CACQEWAZEHCVPI-GOSISDBHSA-N 460.652 2.833 30 10 JFEE CNC(=O)[C@H]1CN(C(=O)c2cc(C)n(C)n2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375740 WQASTMJPFYENMY-LJQANCHMSA-N 488.514 2.724 30 10 JFEE CCNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NCCOC 1548379260 LIXGQZRCOVAFME-IBGZPJMESA-N 481.519 2.588 30 10 JFEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1555546584 ATURRSBJHFIIPM-UHFFFAOYSA-N 491.596 2.535 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1587641089 XGTXSHXPTGTXHG-ICSRJNTNSA-N 488.633 2.836 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1587818353 VLLMHAPYOBGMOQ-PZJWPPBQSA-N 483.613 2.931 30 10 JFEE C#CCCCn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1587894741 ZAFJRBQITPIAHJ-HSZRJFAPSA-N 454.531 2.578 30 10 JFEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H](C(F)F)N1CCOCC1 1587926766 HIJDAZJRZMKVNJ-FQEVSTJZSA-N 455.513 2.761 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CC1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1588030574 XNPQELZSIYNGBZ-KNQAVFIVSA-N 470.643 2.730 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588069200 JITXRCGAKJTASI-UNMCSNQZSA-N 497.621 2.688 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCCCC1 1588099169 ISCRZSZBTVEKHQ-UHFFFAOYSA-N 483.638 2.865 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588139553 OYRZLNIFAKGDTB-OAQYLSRUSA-N 463.538 2.730 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C1CCCC1 1588143935 NSMSVCCPTJCVJP-OAQYLSRUSA-N 470.618 2.534 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC(F)F)c1 1588224323 WJRHXGDRKXGMGR-KRWDZBQOSA-N 457.481 2.545 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1588955468 YECJDLBDHOUVQF-REWPJTCUSA-N 464.614 2.825 30 10 JFEE C#CCSCCn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589126247 YENMXYUPZASVBE-HSZRJFAPSA-N 479.647 2.742 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cnnn1 1589171463 GZBBLZLOUXJGGT-HXUWFJFHSA-N 471.363 2.785 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1589198339 RXXBYUJEQBXNOL-XMMPIXPASA-N 482.610 2.663 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 1589316847 HQTUOLRXGXFILW-UHFFFAOYSA-N 450.337 2.539 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1589694733 RWCQXOOXRYFQQA-SFHVURJKSA-N 472.594 2.906 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1593807855 NPERYRFVIPMYDR-UHFFFAOYSA-N 457.882 2.624 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C[C@H]1CCCO1 1595545219 RVIBEHKVKZLMRQ-LJQANCHMSA-N 476.622 2.700 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](CO)O2)C1 1595722943 PGNNPYWAQRBKOO-JSXRDJHFSA-N 491.633 2.714 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)C1 1595754963 RSMSBEWXHUNDQD-PMAPCBKXSA-N 460.600 2.900 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(Cl)c2c(c1)OCCO2 1596782325 HRDZEWKFTGYRMF-AWEZNQCLSA-N 467.917 2.994 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)C)C2)cc1C 1612108308 FYHNTRHUTXIVEI-IRLDBZIGSA-N 465.602 2.996 30 10 JFEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(I)cn3)c2C#N)C1 1618705874 NOIPFJFPZIAHBI-UHFFFAOYSA-N 452.277 2.776 30 10 JFEE COc1cc([C@H](C)NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)ccc1S(C)(=O)=O 1620679563 HBHFRLFQMHJFKR-YOEHRIQHSA-N 450.520 2.987 30 10 JFEE COC(=O)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)Oc1ccc(Br)cc1 1623784549 AAIXBZRLHISRSL-LPHOPBHVSA-N 456.296 2.740 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(OCC(F)F)n1 1628600152 HHRIJMFVIMEDCX-CQSZACIVSA-N 452.483 2.962 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl 1632484131 AHGMNHBOAJMMMD-UHFFFAOYSA-N 456.973 2.780 30 10 JFEE C#CC[C@@]1(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1644450610 CLRUHDNHKIVFCZ-QHCPKHFHSA-N 452.548 2.513 30 10 JFEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CO)c2ccccc2C(F)(F)F)CC1 1654884730 CDKKATFMULAGLW-ZWKOTPCHSA-N 452.502 2.799 30 10 JFEE CCOC(=O)c1c(NC(=O)NCCc2cc(C(F)(F)F)ccn2)c(C#N)cn1CCOC 1670537214 FAVHNMQISHUJOD-UHFFFAOYSA-N 453.421 2.961 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689990575 QCAWEWFVOAEDDT-MSOLQXFVSA-N 479.002 2.509 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1689990952 TWJNJWSCEZYIGA-IAGOWNOFSA-N 479.002 2.509 30 10 JFEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689996998 TXGUEMWAXIKLKV-MRXNPFEDSA-N 469.032 2.621 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690001868 UVESGPXRCLPDSA-JAXLGGSGSA-N 499.612 2.834 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1690058047 NKOYQFLIHXVOII-OAQYLSRUSA-N 472.597 2.596 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@](C)=O)cc1 1690082856 QWVZIJFBXGPBKF-HKBQPEDESA-N 455.609 2.656 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)C(=O)NCC)CC1 1690112194 RBJIEYSIIMLTKE-NRFANRHFSA-N 466.630 2.952 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1690129526 ZZYSOJZNRFCGFN-HXUWFJFHSA-N 487.674 2.938 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1690148349 DHQBYDKDCKDLPX-JOCHJYFZSA-N 477.657 2.598 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)NC(C)(C)C)CC1 1690152684 USCWHZKKUKPHES-UHFFFAOYSA-N 494.640 2.745 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690233792 RJWSSOBLNACNFD-FQEVSTJZSA-N 478.347 2.805 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690367518 RNZTWKDHQJGBGP-OAQYLSRUSA-N 473.643 2.862 30 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NTSZIPUBKOKTKK-IBGZPJMESA-N 484.578 2.733 30 10 JFEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539221854 RNSTXMCZAAQGGO-NZSAHSFTSA-N 477.631 2.600 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1539430289 HXCVIDZRQNZARW-QFIPXVFZSA-N 494.640 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sc(C)nc2C)CC1 1539470159 KYSNAEAAWXYDOE-UHFFFAOYSA-N 459.579 2.904 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)CN2CCCC2)CC1 1539473763 ADFWTVIBFWRKCA-HXUWFJFHSA-N 494.640 2.660 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NC)CC1 1539637328 PIZVRJFBVIBGCL-IIBYNOLFSA-N 460.529 2.590 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539639686 AZCBTDBWLISCMQ-KNJMJIDISA-N 472.590 2.759 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539688840 RDZVRGGHBNIJCH-QZTJIDSGSA-N 457.575 2.906 30 10 JFEE C=CC[C@@H](Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 1539946826 FPUZABIGFKHVQC-QHCPKHFHSA-N 480.657 2.916 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540866363 KYGOQLRLOSATBC-HSALFYBXSA-N 469.586 2.904 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540875090 BBRCJLCTVJWIBT-RBUKOAKNSA-N 496.395 2.850 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C1CCCCC1 1540898585 OMIVGMOQJBOJOJ-UHFFFAOYSA-N 494.687 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540899952 FXYVPHNEZURLQY-QGZVFWFLSA-N 476.006 2.712 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540900363 SKQJHKWZNOVHLD-HXUWFJFHSA-N 473.643 2.544 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nc3ccccc3o2)CC1 1540905578 TVHNUZWRWPMVCB-UHFFFAOYSA-N 458.588 2.545 30 10 JFEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540912186 OYSMBEDVGBNHOR-ZWKOTPCHSA-N 457.600 2.986 30 10 JFEE CN(C)C(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)Cn1cccn1 1548380530 ZETFSEXIDUQZTA-FQEVSTJZSA-N 488.514 2.749 30 10 JFEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC(C)(F)F)C1CCN(S(C)(=O)=O)CC1 1552919483 DTSKETRCSCRNAH-UHFFFAOYSA-N 452.531 2.722 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)ccc2c1=O 1559030719 DUGRKCBGDILJNE-OSYLJGHBSA-N 456.568 2.714 30 10 JFEE COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1559677144 APJXHJCWMUZDNW-TZIWHRDSSA-N 454.527 2.565 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1cc(C#N)ccc1F 1561092163 CXFJLXLXUZZVJT-UHFFFAOYSA-N 451.545 2.620 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1587639195 KRVKKFRXGXTLLW-KKSHJYNMSA-N 469.655 2.939 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[C@H](O)C2)c1 1587696889 BZTNBZWHCYAGRU-GGAORHGYSA-N 475.597 2.747 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1588034745 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1613428595 ABIKZGQVGSCCNF-PBHICJAKSA-N 450.465 2.889 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(NC(=O)OC)cc1 1630114901 ADOMABUJDRRZDG-SFHVURJKSA-N 458.540 2.779 30 10 JFEE N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1630290765 FBIAMWYWESSVDC-UHFFFAOYSA-N 453.568 2.633 30 10 JFEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)OC 1649639377 CRNUPXIVOMMUOJ-SFTDATJTSA-N 475.615 2.947 30 10 JFEE C#CCNC(=O)C1CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)CC1 1668808245 TUKKHOXNCLXXGF-UHFFFAOYSA-N 457.499 2.979 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(-n3ccc(C(=O)OCC)n3)c2)n1 1673296519 BHZWXNFEEXAHTQ-UHFFFAOYSA-N 450.499 2.559 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(C(=O)NC)c1 1689830870 CZPNYVKUTFBELF-QGZVFWFLSA-N 493.637 2.607 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCSC2)c1 1689868236 AHIZKDBFKIOOBR-DVECYGJZSA-N 469.611 2.740 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 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CCO[C@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1(C)C 1696188781 DXFMCHYPQMGFJK-UXHICEINSA-N 450.547 2.660 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1OC 1705495040 JZHAMQCLJDNIPS-AEFFLSMTSA-N 486.573 2.505 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1705500048 FHMKEXOJNVDAFV-DENIHFKCSA-N 492.649 2.733 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nc(C(C)C)cs1 1705580828 RHPNQKPCSDIRDK-UHFFFAOYSA-N 467.624 2.939 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1CCOCC1 1705580954 QAXHMHPMMRAZAR-UHFFFAOYSA-N 458.566 2.955 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(C)COCCO2)CC1 1705632844 COFDDEOQQZFFHP-WZONZLPQSA-N 459.978 2.632 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1705647134 BALPOQUQXSYVGQ-QFIPXVFZSA-N 492.624 2.558 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@H]2COCCO2)CC1 1705652628 HKNUZNDCMNLTRE-NRFANRHFSA-N 483.638 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCO2)CC1 1705653057 XLTUEGIGRIWZLF-SFTDATJTSA-N 498.628 2.661 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705734839 ZYCWPGSAAWSIFV-UHFFFAOYSA-N 463.586 2.932 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705761111 AQCDFMIIRGXTMP-UHFFFAOYSA-N 456.566 2.851 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705794443 ISDIEODHRYFMAP-UHFFFAOYSA-N 499.704 2.820 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705906562 IVDCJXDJHUPATD-IBGZPJMESA-N 484.601 2.913 30 10 JFEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1706500034 HIXDNSYKDCAUHV-RBBKRZOGSA-N 499.685 2.655 30 10 JFEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2sc(C)nc2C)C1 1710345270 DEFIUWQUMMYGBL-LJQANCHMSA-N 485.639 2.651 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(NC(=O)OC(C)(C)C)COC2)c1 1722309477 NVSLBUKDAOZIPY-UHFFFAOYSA-N 480.569 2.505 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722324959 BISJYJVTFGZMEO-UHFFFAOYSA-N 467.599 2.609 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722343295 AQNNRIXZRXDYBE-UYAOXDASSA-N 456.566 2.569 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1722364940 MVMLDCYGARMXRV-IEBWSBKVSA-N 481.018 2.961 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722370482 NWDMKFMMCBJQIZ-SJLPKXTDSA-N 468.501 2.823 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722415318 LHOSLPJTMNNOSA-LJQANCHMSA-N 464.549 2.956 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CCC 1722419890 DJHNIKQEGZKFIB-HMXCVIKNSA-N 475.590 2.751 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccsc1Br 1722426704 AIXOBLOXVZNXIE-HOTGVXAUSA-N 469.405 2.960 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722456928 JKKRTQNVQGJSMX-UHFFFAOYSA-N 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CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2359467122 HKOLUDOMIINIGU-ZYSHUDEJSA-N 460.355 2.997 30 10 JFEE COC[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2364212875 BETYBJGPHJAPKH-HJPURHCSSA-N 464.368 2.723 30 10 JFEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 16171699 UYKJYLWOZPJYCG-QHCPKHFHSA-N 470.570 2.635 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC1 105265768 BMAICDQVVMJTPS-UHFFFAOYSA-N 472.655 2.630 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1 410038242 NURDZDMAERPGQA-UHFFFAOYSA-N 451.932 2.524 30 10 JFEE N#Cc1cccc(NC(=O)c2ccc(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)c1 586616405 DDGOKICKUPDLNN-UHFFFAOYSA-N 463.519 2.822 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1-c1ccccc1C#N 604002690 JBBOVXFHYYJMID-UHFFFAOYSA-N 468.563 2.791 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(-c4ccccc4)c3)c2=O)c1 726580799 DLRNKDZICFEOAX-UHFFFAOYSA-N 476.561 2.938 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccc3OCC3CC3)c2=O)c1 726582726 PUYFUNLEDLHTIZ-UHFFFAOYSA-N 495.604 2.795 30 10 JFEE CC(=O)N1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)cc2[N+](=O)[O-])CC1 857329743 HBBSTSKDBVKXKL-SGKRCEGKSA-N 499.568 2.739 30 10 JFEE C#CCN(C(=O)c1cc(S(N)(=O)=O)c(C)o1)[C@@H]1CCOc2ccc(Br)cc21 1136805191 VVUMLTIWSFEAEQ-CQSZACIVSA-N 453.314 2.597 30 10 JFEE C[C@H](CC(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12)/N=C1/NS(=O)(=O)c2ccccc21 1142148990 BMUHCJITJYJXIV-HUUCEWRRSA-N 456.543 2.882 30 10 JFEE C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccc(C#N)cc1 1216038657 DNPVTHLYRUMHEW-MRXNPFEDSA-N 457.556 2.528 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCN2CC=CCC2)c1 1286309628 NTUUHLLNFHUKDY-UHFFFAOYSA-N 455.566 2.967 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)NC)CC1 1286325346 XJTSBSPAGYVRNT-UHFFFAOYSA-N 473.622 2.658 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286340171 UPDYTAUHUFGAAD-IBGZPJMESA-N 471.627 2.893 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286342059 LJIKJKUADJMHNC-RBUKOAKNSA-N 468.577 2.760 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286358632 ZAOPMOPJUBHGDN-UHFFFAOYSA-N 463.586 2.725 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1286383310 LYVJSKWYJJCYJS-FQEVSTJZSA-N 472.611 2.787 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286389222 ZKQOYZFPMZHHDT-GOSISDBHSA-N 480.009 2.850 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1286399009 WIPXJNZKIHHPAL-UHFFFAOYSA-N 458.497 2.962 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(C(N)=O)nc1 1286418741 PTQBERAQNYOHSY-UHFFFAOYSA-N 450.449 2.552 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OCC(F)(F)F)nc1 1286421989 HZBDGWKEDOUYAI-QFIPXVFZSA-N 477.487 2.778 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)C2CC2)CC1 1286486173 BVNQUTVMXYKRPO-UHFFFAOYSA-N 476.625 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC[S@@](=O)C(C)(C)C)CC1 1286493980 YIEBHWMNEXESJY-PGUFJCEWSA-N 499.681 2.933 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1286503452 GNVRDVQBSJKMTQ-RBUKOAKNSA-N 471.631 2.785 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1286507477 AACPHTCBDHFDRZ-MRXNPFEDSA-N 470.567 2.784 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 1286545891 CQGWGGIVXABVMR-IEZWGBDMSA-N 451.568 2.645 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286567132 PJTMNMJZWZGVCY-SPEDKVCISA-N 478.590 2.991 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1286742688 SYAUXQLAMIBSLN-YADHBBJMSA-N 461.570 2.552 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1286745519 UYEBVCSLUMWVIK-LJQANCHMSA-N 489.617 2.961 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286770234 CHDATPAWACRGAE-IBGZPJMESA-N 455.588 2.629 30 10 JFEE C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286773567 PGZPDSDUVAFEPY-UHFFFAOYSA-N 486.598 2.663 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1Cc2cccc(Br)c2C1 1286818219 DQPSSCCWFHUWOR-UHFFFAOYSA-N 475.372 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CCC(C)(C)C)CC1 1286823551 WCTLCXHCIZEBML-UHFFFAOYSA-N 480.704 2.793 30 10 JFEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)N(C)C 1288606229 BCHMFOTVFSPZOK-QGZVFWFLSA-N 452.632 2.770 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN(C)C(C)C 1292116421 BADNDGMBNRLCIP-UHFFFAOYSA-N 484.624 2.874 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN(CCc2ccccc2)C(C)=O)n1 1292627198 GBNJBIYXKDHWQQ-UHFFFAOYSA-N 456.597 2.830 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sc(C)nc2C)CC1 1296306183 GRMHQDGVRIYLGB-UHFFFAOYSA-N 450.572 2.790 30 10 JFEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1300347833 FYHWGLJDPIDZQJ-UHFFFAOYSA-N 460.464 2.618 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1300489755 RRIZMDPNFJHDRY-SFHVURJKSA-N 476.624 2.834 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300489775 RZMVMZFARXXGNT-OAQYLSRUSA-N 480.638 2.852 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(=O)N(CC)CC)cc1 1300579868 YUAJGNITCIXMNK-UHFFFAOYSA-N 486.576 2.999 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300591720 VMPRWGHDDUWJQB-QHCPKHFHSA-N 475.597 2.578 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC2CCOCC2)CC1 1300725728 CYXLWSKYRKEIOO-UHFFFAOYSA-N 453.562 2.791 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2c(C)nn(C)c2C)CC1 1300730643 DQOIFESMKFMPKY-UHFFFAOYSA-N 475.597 2.530 30 10 JFEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300750780 BQPKBAJBQPAQDQ-HXUWFJFHSA-N 451.017 2.980 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300780798 XNJCVPDZOTVRDE-KFCXZAFISA-N 454.506 2.538 30 10 JFEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301232366 YHYMFKRNWRMMCC-UHFFFAOYSA-N 458.588 2.555 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1301349136 KSCMCJXZNLIXGV-OAQYLSRUSA-N 471.627 2.775 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301434316 JIOYVKIKFNZZFN-FQEVSTJZSA-N 459.348 2.708 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(Nc2cccnn2)CC1 1301483189 JVRYTCUOFHQOIL-UHFFFAOYSA-N 484.511 2.720 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301510570 YUWDEQVYRBLGFU-QGZVFWFLSA-N 466.508 2.541 30 10 JFEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301600531 BUTYROUUBSYFSU-LJQANCHMSA-N 458.632 2.899 30 10 JFEE CC(C)C(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(C#N)cc1 1302467764 AGCYVMCOYCYLCB-UHFFFAOYSA-N 456.554 2.797 30 10 JFEE CC(C)OCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1303564014 ATBOXBAMKYCQGY-SFHVURJKSA-N 464.549 2.810 30 10 JFEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCN1CCOCC1)Cc1sccc1Br 1312896635 KRGGDDKVZJPYGZ-RDJZCZTQSA-N 458.422 2.946 30 10 JFEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCOC(C)(C)C1 1314348551 HLXKKOXALNVZDO-UHFFFAOYSA-N 468.602 2.845 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1315350009 FFLDAUSBVRLFOV-GAJHUEQPSA-N 473.599 2.917 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)CC1=O 1316126283 DERGIIYFXFJZMS-HSZRJFAPSA-N 473.581 2.947 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(OCCO)c(OC)c1 1358875100 IXKPFAHVCBSHBF-HNNXBMFYSA-N 488.386 2.932 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2CCOCC2)c1 1358902358 LOZFSMNPILBMRQ-JOCHJYFZSA-N 480.613 2.687 30 10 JFEE C#CCCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936220 HVCPERFUFAIYKQ-KDURUIRLSA-N 459.591 2.848 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1358943449 JDTAKKKIWDVINI-UHFFFAOYSA-N 461.950 2.970 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOCC)CC1 1359093050 JJKWAQQLFYYUPM-UNMCSNQZSA-N 470.574 2.993 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1359102344 AFCFGJKTANAANI-LAUBAEHRSA-N 474.993 2.953 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1359151021 KVQZJWUTWATTRU-SFHVURJKSA-N 453.012 2.663 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1359283024 GJVWIKKSBVGSEK-UHFFFAOYSA-N 470.921 2.994 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359336203 ICKBSNLHSZMEEI-HOTGVXAUSA-N 452.625 2.685 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CCO)C3CCCCC3)nnc12 1457707401 FCGFHTKFDZNZLB-SFHVURJKSA-N 455.584 2.770 30 10 JFEE N#Cc1cccnc1OC1CCC(NC(=O)NCc2ccncc2OC[C@H]2CCOC2)CC1 1469863767 GYGUECFULWELFL-RPCJCACASA-N 451.527 2.953 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H](O)c2ccccc2Br)c1 1475393750 BBZVDUFNLMCBMA-GOSISDBHSA-N 453.358 2.719 30 10 JFEE CCc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)(F)F)cc1 1497957145 CKFVNFAPPHZUMJ-UHFFFAOYSA-N 498.513 2.779 30 10 JFEE COCCN(C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1504854295 GKNBSBKAKDGNOT-HXUWFJFHSA-N 481.370 2.736 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC[C@H](CO)O2)c1 1507550295 WRHQIDXITZDMAV-VQTJNVASSA-N 480.956 2.590 30 10 JFEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507569966 KUFQOJLFHKPBRX-QFIPXVFZSA-N 451.571 2.797 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1507635734 ZEIDNCDJOARMLK-JOCHJYFZSA-N 480.638 2.787 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507643723 QOWUUPUPFDSAGG-QGZVFWFLSA-N 491.514 2.928 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(O)(CCC)CCC)CC1 1507730934 ZJCUFTRAVKWGNE-QFIPXVFZSA-N 453.587 2.877 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(F)(F)Br)CC1 1507735901 ASWOZKDTFJXHBS-UHFFFAOYSA-N 482.329 2.907 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)CN(C)C)CC1 1507739374 ASQALPDWNTVRTE-UHFFFAOYSA-N 466.630 2.719 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507757097 OZTMEELPVXVPMA-UHFFFAOYSA-N 497.556 2.992 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1507766255 YWADARAEELZFNU-UKDVSSAZSA-N 453.587 2.876 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCCS(C)(=O)=O 1507788460 PRXUATUGSXKSQZ-UHFFFAOYSA-N 463.348 2.927 30 10 JFEE C=C(Br)Cn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1507792435 HNKFERXSCVSHCJ-HNAYVOBHSA-N 451.369 2.566 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808766 RKWLVBJJRSCWJF-NZQKXSOJSA-N 473.643 2.563 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507847879 RMEXZWBXRHJCCH-INIZCTEOSA-N 486.564 2.935 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507911925 CKBHQIUILADOCM-KRWDZBQOSA-N 494.687 2.854 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507915935 HHPNXHOLDQHYMK-QGZVFWFLSA-N 467.636 2.840 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 1507927964 GWDVDSQRDGLZGW-BVOGOJNSSA-N 477.606 2.765 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1507968075 PQWRGQYDRBOVQQ-HXUWFJFHSA-N 453.587 2.788 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1507983190 PKRJUAIHERJYTE-NRFANRHFSA-N 475.615 2.603 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1508011806 VYIYBYCOQNPCRA-UHFFFAOYSA-N 472.659 2.890 30 10 JFEE C=CCn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508066914 IXVLWDMQROVCAQ-RUZDIDTESA-N 453.587 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1508131301 LEUOOZCKBAAACW-HXUWFJFHSA-N 496.593 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1508141293 MGARWMMFCGAHMD-HMXCVIKNSA-N 460.600 2.739 30 10 JFEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1509992623 HWAYZSWOONRJQD-MJGOQNOKSA-N 494.662 2.813 30 10 JFEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CC1 1517659581 DTFZCAZZOBCTKQ-UHFFFAOYSA-N 450.543 2.609 30 10 JFEE C#C[C@H](NC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1F 1525070036 LWHRZROEWFGBQI-PZJWPPBQSA-N 450.919 2.725 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1539097177 FKLYRSJNNYOUCB-ROUUACIJSA-N 453.543 2.632 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1539102497 XBDRENYGJUVUBR-INIZCTEOSA-N 450.503 2.841 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539133772 KBUAKLTYNZBCDA-UHFFFAOYSA-N 478.641 2.620 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(COC)CCC1 1539237739 JYTVDSYJGXFCEG-UHFFFAOYSA-N 468.627 2.826 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccc(F)c1)N(C)C 1539273060 IUXUIEMCGWJYSF-HXUWFJFHSA-N 464.570 2.784 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)OCCc2sccc21 1539400537 GGWZVJIUVPFXLG-XZOQPEGZSA-N 460.600 2.566 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC[C@H]2C)n1 1539424305 OULSBEVLYAIGPM-SJBKTWHCSA-N 456.591 2.675 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1539461895 MEEBFQYFFIYHKX-VXKWHMMOSA-N 496.656 2.509 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C(C)C)N2CCCC2)CC1 1539482854 XOXOJGYWKGHHNU-FGZHOGPDSA-N 456.635 2.606 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2ccccc2)CC1 1539487917 BDPMPQQPEKMQCW-UHFFFAOYSA-N 490.633 2.868 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)CC1 1539580408 KQDLXFAXOAUUHN-UHFFFAOYSA-N 473.335 2.822 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539607865 OQGKQOWQEULWLG-IBGZPJMESA-N 450.312 2.621 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C 1540177588 SNFWRLDJASKKTK-UHFFFAOYSA-N 473.643 2.963 30 10 JFEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1540854485 KQAFAFDAHCAUHY-SFHVURJKSA-N 453.996 2.661 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1540873033 KMQBESCIGJLMAR-LJQANCHMSA-N 456.547 2.653 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1540897356 HLSVUMZNHHWKQF-UHOSZYNNSA-N 451.637 2.812 30 10 JFEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)ccc1Br 1540908836 OVINHDZKEAKPEC-UHFFFAOYSA-N 481.376 2.794 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)Oc1ccccc1F 1541673720 AICQYGULJHOEQW-GOSISDBHSA-N 492.559 2.616 30 10 JFEE Cc1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC[S@](=O)C(C)(C)C)CC2)n1 1543366731 IFOJEZXMYDEHOZ-FXTIPPFDSA-N 496.641 2.939 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCSC(C)C 1545918089 FWHWBDKLVHTMJV-UHFFFAOYSA-N 470.647 2.931 30 10 JFEE CCn1nccc1C(=O)N1C[C@H](C(=O)NC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375619 QTSQGNZTBGBNNA-LJQANCHMSA-N 488.514 2.898 30 10 JFEE CCn1ncc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]3C(N)=O)c1C 1548377720 WEFPRANVXZDLKM-FQEVSTJZSA-N 488.514 2.946 30 10 JFEE CCS(=O)(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NCC1CC1 1548379128 CKKFYFBOAOVBSO-FQEVSTJZSA-N 498.571 2.971 30 10 JFEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)N1CCOCC1)CC2 1548379287 NHQANJHRLRNTEC-FQEVSTJZSA-N 493.530 2.636 30 10 JFEE N#Cc1ccc(N2CCC3(CC2)C[C@H](C(N)=O)N(C(=O)Cc2ccncc2)C3)cc1C(F)(F)F 1548380191 TXEUXZPHEZAXSV-HXUWFJFHSA-N 471.483 2.888 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCn2cc(Br)cn2)cc1 1555988584 HZTCCUFUWOAMEB-INIZCTEOSA-N 483.374 2.568 30 10 JFEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1555995193 BYHLZYZBTIYEPT-INIZCTEOSA-N 482.532 2.967 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)n1 1568526625 HQTYLNOPGCZQHK-UHFFFAOYSA-N 452.536 2.988 30 10 JFEE C=CCOc1ccc(/C=C\C(=O)N2NC(=O)C[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1OC 1584018911 WLYKRKYMECAYMU-SINIUOCSSA-N 457.527 2.916 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1587556981 XSDMXKBZUKHBAM-PXNSSMCTSA-N 473.537 2.549 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1587639768 MWVKOOMQLKPIPS-QAPCUYQASA-N 470.517 2.765 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)CC=C)c1 1587689328 GJPUGEASMGTMCO-UHFFFAOYSA-N 467.551 2.504 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CCCC)c1 1587693721 WLHBYHQTRGAUIV-PKTZIBPZSA-N 491.640 2.940 30 10 JFEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1587835781 YWNNVMKZLVTXNG-UHFFFAOYSA-N 452.559 2.760 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1-c1ccccc1 1588024415 BWCXPMMXXZSFCQ-HDICACEKSA-N 462.558 2.747 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588045015 FLHLRGCSXHVHNS-INIZCTEOSA-N 458.531 2.867 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1588913608 OKIIAZXYPGGXNO-UHFFFAOYSA-N 458.566 2.582 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](CC)N2CCCC2)CC1 1588946610 GDXGYGPSEJHLMC-QFIPXVFZSA-N 466.605 2.848 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1589109681 IXHHGSRGVKZRFL-NRFANRHFSA-N 493.427 2.982 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1589215979 IJXAEWGEAULQMN-XUZZJYLKSA-N 471.627 2.626 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@@](C)=O)CC2)CC1 1594096414 BGYNSFZTTOAVST-HYJWCJBQSA-N 465.620 2.654 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1595290679 IEKGQRWVZRVFHW-UHFFFAOYSA-N 493.612 2.622 30 10 JFEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595319282 KAVYJNVWBNCQFC-OAQYLSRUSA-N 452.603 2.965 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1595434610 JWWMSFZPJPVAGC-IYBDPMFKSA-N 458.588 2.759 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1595496575 AIPXHJAPKIDAGA-SFHVURJKSA-N 486.527 2.899 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595577620 YVGVLHPFNIRBGJ-MRXNPFEDSA-N 471.949 2.888 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2C(F)(F)F)C1 1595673535 HYKMJBWWSIEBLB-RDJZCZTQSA-N 487.548 2.931 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CC1 1596249610 FJTHADUFQACAEU-UHFFFAOYSA-N 451.556 2.519 30 10 JFEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCCCC1 1619643550 DMNKOPLHBOLEND-QGZVFWFLSA-N 452.625 2.615 30 10 JFEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCC(F)(F)F)CC2)c(F)c1 1620350464 GLRXOYDRHWYXIX-INIZCTEOSA-N 465.455 2.909 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1 1624322002 LOBYSLGYSKUZAQ-SFHVURJKSA-N 450.967 2.972 30 10 JFEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NCC#CCO)c1 1626173388 BTAOPGCYIUWFIM-UHFFFAOYSA-N 452.454 2.812 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])n1 1638016940 JZPKRXQDFOBMEC-UHFFFAOYSA-N 450.293 2.545 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CN(CC(C)C)CCO1 1689824735 WFVQHYAGYVOAIJ-RBBKRZOGSA-N 452.603 2.962 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1689912785 AQWCDICOKNOJOF-PMACEKPBSA-N 464.680 2.783 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689984836 WURCQMFFLKOASQ-AWRGLXIESA-N 499.681 2.634 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1689985873 DGZFMDKVZQHSNF-MRXNPFEDSA-N 488.507 2.797 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1689993910 NJLJTJSSNPJKPV-OAQYLSRUSA-N 456.612 2.940 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1689996336 HMEMMCKPRDEWAQ-LJQANCHMSA-N 462.641 2.854 30 10 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30 10 JFEE COc1ccc(CC(=O)NC2(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCNCC2)c(OC)c1 585846382 LIGPMTURCWTYLO-BJMVGYQFSA-N 453.495 2.675 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cc(OCC)ccc1OCC 608883464 BBIZPXQOHXTKTF-UHFFFAOYSA-N 475.570 2.502 30 10 JFEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1I 609054768 GDZSIPRRRZVPBC-UHFFFAOYSA-N 495.342 2.618 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCOC[C@@H]1CC(=O)O 757563569 DCGWQGWTWSYJPI-VWMXVWASSA-N 476.529 2.913 30 10 JFEE COc1cc(C=NNc2nnc(SCCC(=O)Nc3ccccc3)n2N)cc(OC)c1OC 1084079275 LHVZUPYZSHYAPR-UHFFFAOYSA-N 471.543 2.585 30 10 JFEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1ccccc1 1127300423 CJCNOSFXQXMASU-QHCPKHFHSA-N 455.580 2.977 30 10 JFEE C=CCn1ncc2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)cc21 1134572502 IOZPUBJVIFVHCR-UHFFFAOYSA-N 456.524 2.504 30 10 JFEE C#C[C@H](NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)c1ccc(F)cc1 1210542963 FJJALZWTIQSMCV-SFHVURJKSA-N 456.522 2.987 30 10 JFEE C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CCCN1C(=O)OC(C)(C)C 1264580930 OTLJETYRKYUQKE-DEOSSOPVSA-N 459.543 2.803 30 10 JFEE C#CC[C@]1(C(=O)NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)CCCN1C(=O)OC(C)(C)C 1277221750 NBEWYFDUZVLRKV-KBMIEXCESA-N 459.562 2.948 30 10 JFEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286319309 XHNWQGFJERAYRI-LJQANCHMSA-N 452.559 2.712 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1286386805 HULFNCAUKRVQKM-QGZVFWFLSA-N 462.019 2.710 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1286395195 LOKRDKSTTWJZEG-NRFANRHFSA-N 479.606 2.798 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccnc(OC(F)F)c1 1286410007 QMIXYJYJYJWZLK-LJQANCHMSA-N 451.433 2.908 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1286437787 MFTCGCKHWFKDTL-SFHVURJKSA-N 450.543 2.822 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([S@@](C)=O)CC2)CC1 1286471038 GIHIRPRAVDSLKZ-NMEJYPJZSA-N 462.019 2.738 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C)CC(F)(F)F)CC1 1286471488 KYQMWVWYMVQROC-KRWDZBQOSA-N 468.499 2.807 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(S(C)(=O)=O)CC1 1286498277 CXROFGGIGCKWRQ-INIZCTEOSA-N 479.697 2.579 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286514752 OKSQWZQASSRUOU-FHWLQOOXSA-N 479.647 2.720 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@H](CC)C1 1286541953 GNMPCLZEBPXMCO-GOSISDBHSA-N 466.428 2.595 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286546269 HYAKNWUIQKXZTB-NHCUHLMSSA-N 455.607 2.819 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286550042 YJEFVMPGSAAZHF-OTWHNJEPSA-N 474.606 2.599 30 10 JFEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCNS(C)(=O)=O)CC1 1286638598 GUWWKRWZODSBJI-UHFFFAOYSA-N 472.384 2.942 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286674910 KAZUTQFWJAIYCM-LJQANCHMSA-N 499.685 2.615 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccccc1 1286677398 ACMCCWVZPZBQJA-WSWWRLHASA-N 489.642 2.632 30 10 JFEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286690765 VOCSCTCEKILDBW-ZJOUEHCJSA-N 466.590 2.735 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1286763333 WZSGACNWAWUOQJ-NRFANRHFSA-N 480.638 2.925 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1286781682 XGGXZJOSCGATRS-CYBMUJFWSA-N 485.536 2.578 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286790919 QLKLUFWKLVDKAD-AEFFLSMTSA-N 451.493 2.912 30 10 JFEE C=CCSCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286829957 HQERATSXKBFWIR-UHFFFAOYSA-N 451.593 2.725 30 10 JFEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1)OC 1291940645 GTCVEPPMDPIOPQ-IBGZPJMESA-N 454.575 2.896 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)ccc1OC(C)C 1299856836 GKONLBGSMUWQPB-HXUWFJFHSA-N 484.601 2.580 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1300344589 DWYNIOJLZDRPQN-UHFFFAOYSA-N 452.559 2.760 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCC1 1300509883 YGEGFUMKIFTSMZ-IBGZPJMESA-N 452.990 2.666 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1300590827 GKICQTHPEIWZBJ-HXUWFJFHSA-N 462.529 2.860 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1300682382 LCAZNOYZLLQRMC-UHFFFAOYSA-N 494.644 2.530 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[S@](=O)C(C)(C)C)CC1 1300697352 BCGZORXBHROUKY-XIFFEERXSA-N 466.611 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1300731826 WSHOZFGXUOYFGZ-JOCHJYFZSA-N 494.571 2.858 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1300756423 MJCVYJUHAVWBRV-IEBWSBKVSA-N 455.559 2.834 30 10 JFEE Cc1[nH]nc(NC(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)c1C#N 1300944912 DGPGAVYVRWAGHB-UKRRQHHQSA-N 451.346 2.584 30 10 JFEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)Cc2cccc(F)c2)CC1 1301135705 ORYKRJHTMHRGCK-REWPJTCUSA-N 471.577 2.903 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CCN1CCN(C(C)=O)CC1 1301399184 IKGBCDDBYKMKMY-UHFFFAOYSA-N 461.614 2.683 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1301477514 BPFGMZJVWGLCMC-UHFFFAOYSA-N 479.629 2.904 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301481786 PLGKHIBMUIFJKW-HOTGVXAUSA-N 484.498 2.932 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1301515641 WGOULIBVKVEROI-UHFFFAOYSA-N 451.918 2.716 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301577414 OEJKCHGCJJDUJU-DLBZAZTESA-N 451.980 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1301587476 PFOLWOZMYPVGAE-UHFFFAOYSA-N 463.623 2.929 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301602704 VKLBGQOEHUVGIW-UHFFFAOYSA-N 466.611 2.811 30 10 JFEE COCCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1)[C@@H]1CC[C@@H](C)C1 1301747711 FBQRFYIWHBRXDS-HYBUGGRVSA-N 479.629 2.622 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCSC1 1303396340 AJQZHDVDWTZOAF-GOSISDBHSA-N 453.616 2.758 30 10 JFEE CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1305311729 ATHRFLFQZNPTEI-JIPXPUAJSA-N 493.656 2.895 30 10 JFEE CCCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1313487315 BDNRKMFWRVUPGV-HNNXBMFYSA-N 497.966 2.641 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC1CCCCC1 1358878043 OWLUUVIIYJDYCN-QGZVFWFLSA-N 457.600 2.646 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358878188 SHNGQTNQYRBADV-FQEVSTJZSA-N 454.582 2.860 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cc(Br)cn1 1358881889 OVVYRZMVWJPUHM-CQSZACIVSA-N 457.332 2.833 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1358900092 BCOLAINXIYEKOP-YRXWBPOGSA-N 496.603 2.863 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ccccn2)CC1 1358919457 CJXWUMLPJMECBS-UHFFFAOYSA-N 463.973 2.997 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1358919713 INWQIDHJSOUZEE-UZLBHIALSA-N 468.533 2.737 30 10 JFEE C#CCCCn1c(N2CCC(C(=O)N3CCC(C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1358935971 YSOYAVGDRZHVKQ-VWLOTQADSA-N 457.619 2.819 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CC1(N2CCOCC2)CC(OCC)C1 1358988663 YQWLUUVPIJLOEJ-UHFFFAOYSA-N 451.571 2.579 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nccs2)CC1 1359041630 CWXASVCONLHHLU-UHFFFAOYSA-N 465.539 2.518 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359160440 VBCFZTPGIFEPGC-AUSIDOKSSA-N 460.600 2.741 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359192273 AUFXPIOQIRDETN-FSSWDIPSSA-N 488.677 2.737 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(Cl)ccn1 1359302694 QJYICIXKANGHPR-UHFFFAOYSA-N 450.934 2.504 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1359302883 WWHOYXCRYPINEF-OALUTQOASA-N 453.616 2.929 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359329605 OLVYCANZWOGUDD-IBGZPJMESA-N 484.607 2.760 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC(=O)N2CCCCC2)c2ccccc2)ccc1F 1360308537 NQSUACHYIWRKPR-UHFFFAOYSA-N 459.543 2.949 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H](CCNC(C)=O)C1 1450738416 DJCXLFJXLJNCNB-OAHLLOKOSA-N 452.349 2.863 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)CC3CCCCC3)nnc12 1457870067 GGWCLIVDJQMCAV-QGZVFWFLSA-N 455.584 2.770 30 10 JFEE N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3cccc(S(=O)(=O)C4CCOCC4)c3)C2)nc1 1466664320 GJQGUUYYBOFMBC-SFHVURJKSA-N 456.524 2.591 30 10 JFEE C=C(C)C[C@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1)C(=O)OC 1471123417 DZPQFKMYUQISPE-BBRMVZONSA-N 453.333 2.541 30 10 JFEE C=CCc1cc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc(OC)c1OC 1477656786 DOBRIPKFGGTUHV-GDBMZVCRSA-N 450.479 2.549 30 10 JFEE C=CCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1479090693 HTLODFIACQEFIF-UHFFFAOYSA-N 454.549 2.612 30 10 JFEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H](C)O1 1504711721 GXHOTGAUMXMZOI-PGRDOPGGSA-N 466.586 2.848 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507601239 OEIFPXZMGNWXBS-IHPCNDPISA-N 469.540 2.973 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1507702549 MGTURPDPWWCDQK-NTKDMRAZSA-N 453.591 2.522 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)C(C)C)CC1 1507738068 JCKMAWSDTDKFPK-UHFFFAOYSA-N 461.614 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1507739906 VZJSJGOCVCBOPF-HXUWFJFHSA-N 465.598 2.734 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507748306 OXCQYHZZILLAOE-FQEVSTJZSA-N 491.665 2.752 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2)CC1 1507753434 NHWKKIHPGHJXEX-UHFFFAOYSA-N 466.636 2.963 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CCN1CCOCC1 1507803898 DBMOZQABXRHMMV-QPPBQGQZSA-N 455.603 2.915 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507811432 RGLQPAHYMQAGMQ-AKHDSKFASA-N 497.662 2.511 30 10 JFEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507983720 RISAEUVGRZOMAJ-MSOLQXFVSA-N 453.465 2.676 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1508007238 WPPPJEPPKRVIOW-UHFFFAOYSA-N 477.594 2.924 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1508047286 DUKVRTKVCMYTHI-UHFFFAOYSA-N 494.552 2.699 30 10 JFEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1508051476 WQNZJEFYIYOGHM-VAMGGRTRSA-N 487.626 2.820 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1508073879 PPEIXPLNBWCOMU-MSOLQXFVSA-N 477.656 2.761 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508077580 OMLRHOHYPCYORD-CQSZACIVSA-N 490.431 2.874 30 10 JFEE CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1509050391 GDXNPPDURFMETM-CTNGQTDRSA-N 472.615 2.778 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1510582692 GIVAWYMAYVLYOR-OAQYLSRUSA-N 486.642 2.886 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1511644271 AWJOVLZKZKSKDQ-UHFFFAOYSA-N 460.586 2.910 30 10 JFEE CC[C@@H](C)N(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1513139061 HGVUFFCNCOMOGZ-LJQANCHMSA-N 482.608 2.582 30 10 JFEE COCC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 1518972314 HHIXLVQPICYZGQ-VQTJNVASSA-N 482.354 2.849 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2csc(CC)n2)c1 1539042872 KOVXYQJRNMXRGX-KRWDZBQOSA-N 450.568 2.905 30 10 JFEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1539063736 STLPXAWWSNKRBA-SFHVURJKSA-N 451.579 2.872 30 10 JFEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539079036 NWJALGMNWWGRIT-DHLKQENFSA-N 478.641 2.958 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539211798 KZGDRXAVFODRFE-GOEBONIOSA-N 454.955 2.647 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2cc(C(F)(F)F)ccn2)CC1 1539475679 LXVMPUNXQLVPFF-UHFFFAOYSA-N 485.514 2.906 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1539488139 IKDPOWCERQCNKZ-HXUWFJFHSA-N 473.524 2.556 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540020868 OTROALQRKOIYHQ-RDJZCZTQSA-N 463.380 2.876 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1540866628 UYLITRQVYRUZNW-HKBQPEDESA-N 458.975 2.670 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCCN2CCCC2)CC1 1540866731 YKTLEPHUTCSRMA-UHFFFAOYSA-N 473.021 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1540906808 BZZMBYYYPISCBD-HXUWFJFHSA-N 485.614 2.545 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1540922797 YULFLDOKVNIXLE-DEOSSOPVSA-N 489.617 2.951 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC1 1545910544 BAKWYOZBHGVBGK-JOCHJYFZSA-N 479.629 2.817 30 10 JFEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1547351601 IFUNPEJDQCSKOG-GOSISDBHSA-N 456.597 2.838 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 1584411810 FPNBDUPRNISTFS-GFCCVEGCSA-N 458.544 2.931 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CSCCS1 1587639037 JDPYHAPLYJNMFT-GVDBMIGSSA-N 467.661 2.893 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCC)c1 1587693378 RVUDLIGEEAPBGM-HXUWFJFHSA-N 460.538 2.680 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1588035327 RTHFHAUHFCTYNX-NEWSRXKRSA-N 476.574 2.727 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1588069353 MEXGFLCBOLCBHQ-JOCHJYFZSA-N 467.570 2.663 30 10 JFEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1589394368 DMIVGSDDBYHKNR-UHFFFAOYSA-N 472.347 2.561 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1589600096 VMUILYXYNIENKO-LJQANCHMSA-N 453.385 2.992 30 10 JFEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1593625413 VFGOHQRQNTVLTN-UHFFFAOYSA-N 456.572 2.942 30 10 JFEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1593671216 ATEVESSKQSQXFN-UHFFFAOYSA-N 463.604 2.692 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1594811957 ASUYHVRWVKECGR-CLOONOSVSA-N 488.633 2.702 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595556482 VATILXULNOJYPN-OAHLLOKOSA-N 476.528 2.553 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595577497 UTQYQBRVDMAIOL-IBGZPJMESA-N 484.601 2.961 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(NC(N)=O)cc2)C1 1595745579 SXHQDYSODXGMAA-GOSISDBHSA-N 481.582 2.590 30 10 JFEE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC12CCCCC2 1596221271 YXIHVVHMMOVBNX-GHVJWSGMSA-N 497.644 2.765 30 10 JFEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCN1CCC(O)CC1 1602821803 FJSFICWEFQUWDP-UHFFFAOYSA-N 455.582 2.586 30 10 JFEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1613623492 BNPRCLAHVFIXHG-FXAWDEMLSA-N 457.542 2.619 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NC[C@H](O)COCc3ccco3)C[C@H]1C)C2=O 1615243601 LKBDNUZFUFLPFS-UUWORRSWSA-N 491.924 2.924 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1617868672 GKDLYTZPUTZOLZ-AVRDEDQJSA-N 471.608 2.657 30 10 JFEE Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1618454840 FISBOLJLXGDXCD-SFHVURJKSA-N 468.587 2.500 30 10 JFEE N#Cc1cnn(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(C(F)(F)F)cc3)cc2)c1N 1632158498 GGWFTVQKYFRIRD-SFHVURJKSA-N 454.412 2.658 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 1635196158 COSKZMJXWDRKSS-MAUKXSAKSA-N 455.584 2.670 30 10 JFEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc2)cc1 1635288615 PPRATXIYQJSLLX-GOSISDBHSA-N 453.442 2.942 30 10 JFEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H](S(N)(=O)=O)C3)c2C#N)C1 1657971115 DMAFLHAFQGWSMO-HUUCEWRRSA-N 452.646 2.852 30 10 JFEE C=CCc1cc(CNC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc(OC)c1OC 1667711229 MHAYNDSPELNXDH-UHFFFAOYSA-N 456.518 2.702 30 10 JFEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)C2)cc1 1682368958 HVNBZFHBHSEOEH-YADHBBJMSA-N 454.552 2.549 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2(O)CC(OCC)C2)c1 1689872105 OLQGYCGYGFCUJK-YOOZRZFBSA-N 467.570 2.506 30 10 JFEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1689971054 MSMIKIMXKGGAOL-HXUWFJFHSA-N 460.586 2.642 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1689982425 NASKJWIXBMFYDO-KRWDZBQOSA-N 463.585 2.622 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689988090 JBUHGOLOYFPDPI-HXUWFJFHSA-N 470.643 2.540 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nnc2n1CCC2 1690032661 GUIMZAONRORECV-IBGZPJMESA-N 459.554 2.866 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1CCC(OC)CC1 1690100938 IRGPSIHJZJMPGO-UHFFFAOYSA-N 493.612 2.569 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1690120425 UOEMDLACZDUNCF-QHCPKHFHSA-N 463.586 2.609 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)c2ccsc2)CC1 1690139111 AINUHTRKLXBQRI-DEOSSOPVSA-N 494.577 2.788 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1690150569 MQPFBSHXPRMCGW-UHFFFAOYSA-N 484.645 2.844 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)COC)CC1 1690239406 WBNLTILZDUJLDC-RXVVDRJESA-N 459.978 2.875 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690240107 BSLWNCPZZQQLRL-CECAUBDESA-N 455.559 2.610 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(=O)OC)CC1 1690526940 GOJDHXYEBXMEFH-SFHVURJKSA-N 478.594 2.687 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1690604555 XGEXGMATDRFMFC-URXFXBBRSA-N 489.711 2.853 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cnn(CC)c1 1690663226 QDCSKHRQAQQJQU-UHFFFAOYSA-N 488.390 2.871 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690725065 DODSUKGKHJGWJI-GOSISDBHSA-N 474.562 2.684 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC(F)(F)CNC(=O)OC(C)(C)C)n1 1693414183 AOFNIYIIKLAUOI-AWEZNQCLSA-N 466.537 2.896 30 10 JFEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1695850184 BBUMORZUGKMYFY-UXHICEINSA-N 452.559 2.602 30 10 JFEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1698028615 HFOBAKGBCYPUSI-NRFANRHFSA-N 479.560 2.977 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1705478477 BWXVKCGFQFZEDE-HOYKHHGWSA-N 453.543 2.782 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCO[C@@H]2C2CC2)c1 1705503820 FRELCNSKJHDSPB-GJZUVCINSA-N 478.597 2.678 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ncnn1CC(F)F 1705525274 CAEAAJYEVHZENP-UHFFFAOYSA-N 467.322 2.953 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1705560794 NMUILSJNAAWUCX-NQIIRXRSSA-N 485.654 2.779 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705568632 RWGUTDQADHEIDN-VWNXMTODSA-N 499.681 2.913 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCS1(=O)=O 1705573829 OQGHACLGSSUPAD-LJQANCHMSA-N 490.029 2.797 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)cc1OC 1705583316 VDWGOUGLIAQWFY-UHFFFAOYSA-N 471.565 2.590 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOCC1(C)C 1705598345 HHHKIMHBFFUDIU-QFIPXVFZSA-N 498.672 2.966 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705616444 IJHYZMWKZBVHNY-LJQANCHMSA-N 473.643 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C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1508073169 IZBCUMMDJOOADS-SAHWJRBASA-N 475.977 2.758 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1508074969 OADYYNHERPKKJS-HWHXTQLESA-N 453.587 2.897 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1508086004 WKMOUPWXKKQBHY-UHFFFAOYSA-N 477.525 2.522 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccc2F)n1CC(C)(C)CN(C)C 1512364075 BZSROAREXHRXBO-LJQANCHMSA-N 491.619 2.973 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cn(CCCC)nc2C)c1 1539041993 APDPSXRWRXKGMO-JOCHJYFZSA-N 488.596 2.639 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539093867 HBEIINITXXAGMJ-IAGOWNOFSA-N 466.521 2.503 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539219828 FRNBZDHEMMMLKR-NHCUHLMSSA-N 472.611 2.576 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539224514 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BMFKMVROVARHIY-UHFFFAOYSA-N 494.644 2.797 30 10 JFEE COCCNC(=O)[C@H]1CN(C(=O)NC(C)C)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376074 JZNVJXMQPDJLNS-HXUWFJFHSA-N 495.546 2.976 30 10 JFEE CNC(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1cncn1C 1548379379 ATGAGFJQQMOCRM-SFHVURJKSA-N 474.487 2.558 30 10 JFEE CCCS(=O)(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548382355 MDXVYLFKCOUPMW-ZWKOTPCHSA-N 472.533 2.567 30 10 JFEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1554695528 CDZVOAYTWGZSLS-NBGIEHNGSA-N 468.602 2.845 30 10 JFEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)c(C)cc2Br)CC1 1561940568 OPDTWXFBVFGCSR-UHFFFAOYSA-N 450.196 2.896 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587579942 LNYRGYBDOSPMHT-ROUUACIJSA-N 461.526 2.980 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1587922197 VGFWFYFNFIGYSJ-RUZDIDTESA-N 451.571 2.674 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588034799 LZOGKBCMJGTOAM-SFTDATJTSA-N 487.582 2.829 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588069237 JVFPBPUNSGEVIQ-MQFRRQCYSA-N 470.639 2.894 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1588069259 KPXBJGBQKUXKKQ-FQEVSTJZSA-N 472.611 2.751 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588069483 OZVOCCIHOKJRTN-GOSISDBHSA-N 471.608 2.605 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1588069674 SIGMPWLUURZWMO-HXUWFJFHSA-N 469.611 2.723 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)s1 1588099732 XKBOCXVYUVZDCB-UHFFFAOYSA-N 453.593 2.686 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N2CCOCC2)nc1 1588193402 CCKGZNTUHLTXMT-UHFFFAOYSA-N 471.521 2.596 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(CC)CC 1588233209 DEBUKRXMPVMDTG-OAQYLSRUSA-N 472.634 2.781 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1cc(C)oc1C 1588280118 GJJQVUBSRXFXGE-QHCPKHFHSA-N 456.568 2.926 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(S(C)(=O)=O)CC1 1588281135 YWPYBAWMEMQWCO-UHFFFAOYSA-N 467.389 2.753 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[S@](=O)C(C)(C)C)CC1 1588790968 IVSZMMHNPQXZBI-YTTGMZPUSA-N 450.612 2.796 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1589006725 HNYBSWYSECHULR-UHFFFAOYSA-N 486.711 2.852 30 10 JFEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1589366535 GNBBATIDTPESBO-UHFFFAOYSA-N 451.332 2.842 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1589484915 WAMJBLDLPFIBSK-RBBKRZOGSA-N 495.628 2.956 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1589547857 WPVCSPSTEYHGTI-URXFXBBRSA-N 458.651 2.592 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1595127156 GUFANYBGXUCEFM-OALUTQOASA-N 496.509 2.824 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1595501599 YXGUFJPKIVGBSI-UHFFFAOYSA-N 452.559 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595788553 CLHOAYGUUSBXDU-UHFFFAOYSA-N 471.505 2.597 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1613897374 AXIZIQZXTIXTOY-SFHVURJKSA-N 475.475 2.937 30 10 JFEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CC1 1618922352 CIPVKKBBCKZXCC-HOYKHHGWSA-N 452.559 2.636 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc1 1624826152 FNJDPNQKJPTOPM-NRFANRHFSA-N 453.495 2.912 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(C)(C)S(=O)(=O)CC1 1626713290 FRGDOOKCYMDOEG-UHFFFAOYSA-N 459.362 2.524 30 10 JFEE COC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(C(F)(F)F)c1 1627734729 BVTYSYFQKVZBGW-INIZCTEOSA-N 455.458 2.638 30 10 JFEE C=CCN(C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1630847125 OODIHKHKLUBIME-KRWDZBQOSA-N 450.557 2.631 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNc2cccc(Br)c2)s1 1631590504 LJLJJOJWGZFKFH-UHFFFAOYSA-N 458.403 2.746 30 10 JFEE C=CCN1CCC(NC(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)CC1 1632868734 SCWADUACSSPGJT-UHFFFAOYSA-N 458.422 2.764 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(CS(C)(=O)=O)ccc3OC)ccc2c1=O 1635197478 FVCQXBXIUZTCRC-UHFFFAOYSA-N 459.549 2.677 30 10 JFEE CCCc1c(NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cnn1-c1cccc(C#N)c1 1668964054 AGDBNCYOKCXFIY-UHFFFAOYSA-N 458.526 2.544 30 10 JFEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cc(C)cc(C#N)c3)CC2)cc1OC 1670905540 HITMVLJOGCZWCB-UHFFFAOYSA-N 458.540 2.859 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1689847186 UINMTXYUTGTGHG-CEXWTWQISA-N 457.648 2.817 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1689916522 MFOWNBBPSVGEGQ-NQIIRXRSSA-N 456.543 2.769 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1689978179 OHOUWMBLIQFWPA-SFHVURJKSA-N 479.553 2.819 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC(F)(F)CO1 1690017971 PYUXDBLUJXBTJG-QZTJIDSGSA-N 463.529 2.890 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(OC)CCOC1 1690035718 HZGNRGLXFKQLOS-QFIPXVFZSA-N 473.371 2.985 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)c2ncc(C)s2)CC1 1690146353 LUQLBXHJKQUDEE-QFBILLFUSA-N 456.616 2.707 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690172221 AAPCBNAMVSUISJ-FQEVSTJZSA-N 457.575 2.988 30 10 JFEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690181072 OTXPDSSKSWXRHR-IBGZPJMESA-N 457.625 2.661 30 10 JFEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CC)C1)c1ccccc1 1690321480 CIFJFZJHCSLYJV-JOCHJYFZSA-N 452.603 2.775 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NCCC)CC1 1690375757 SSNPFFSINHLYLG-GOSISDBHSA-N 462.595 2.659 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690424153 FTVMYCBPNNEHQR-HXUWFJFHSA-N 484.630 2.927 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1690622199 KMNCPFMSUOORAV-GOSISDBHSA-N 486.621 2.617 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 1690663488 YDRVGWRENZENQJ-FQEVSTJZSA-N 496.793 2.659 30 10 JFEE C=CCNC(=O)Cn1c(N[C@@H](C)[C@@H](OC)c2ccccc2Cl)nnc1C(=O)N1CCCC1 1690678465 WUMOBVUCQAMMJK-HNAYVOBHSA-N 460.966 2.658 30 10 JFEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1695290581 FTRFJWMIIRAPMB-RBBKRZOGSA-N 451.619 2.706 30 10 JFEE CCNC(=O)c1ccc(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1695927004 GNJUKYPDOINKAI-LOSJGSFVSA-N 466.586 2.858 30 10 JFEE CCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCCC1 1696091140 CSCCNQNITVTLAC-NRFANRHFSA-N 452.559 2.507 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1697702805 HHNOIEMPXVYJTH-WIYYLYMNSA-N 456.566 2.964 30 10 JFEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@H]1OC 1698289169 CRQVDQUKSGJFQO-IMSXRSKXSA-N 451.527 2.784 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(C)=O)nc2)c1 1705507056 QGLBHRDSNFBVMP-QFIPXVFZSA-N 487.564 2.978 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(F)(F)Br)c1 1705507266 WNGQJFKGKUMGRC-AWEZNQCLSA-N 468.302 2.826 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1705524246 IEDDZRTTZYFXAC-MAUKXSAKSA-N 496.431 2.642 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705563903 HSIFGCSDOXHRQO-IBGZPJMESA-N 453.568 2.728 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1705599409 YPMDRKNTGKKDRU-PKTZIBPZSA-N 467.639 2.508 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1N(C)CCCC1(C)C 1705628331 DBDDQVYUPNBBTC-FGZHOGPDSA-N 453.587 2.997 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cccnc2)CC1 1705645459 UZVARRFYDPDWLQ-UHFFFAOYSA-N 496.413 2.650 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705698008 PDPDMFADJOFGMM-DSJDWBEOSA-N 495.671 2.897 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705738619 DIJRAXYGEMUYLO-UHFFFAOYSA-N 496.566 2.980 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705819996 YLZLLBVZRRMYGT-FQEVSTJZSA-N 461.607 2.998 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705865279 IDQJRSSHKJFCOL-JOCHJYFZSA-N 469.592 2.620 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)C)C1 1705916059 IGQODFJFUULZBI-OAHLLOKOSA-N 451.369 2.589 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)CC=C 1722279092 SJTQANNQIHHZCK-ZDUSSCGKSA-N 455.353 2.905 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)cc1 1722296958 WLZRUZRGARFAIN-PZJWPPBQSA-N 455.628 2.923 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1722322766 NNWPTKRYAGBIKB-IBGZPJMESA-N 494.662 2.672 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722357949 BHQFOCWXSXULRX-OALUTQOASA-N 493.674 2.849 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722364091 XBHPUJDMHDWTRO-LJQANCHMSA-N 487.532 2.659 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1722370346 NLMWJMBFAKGFRO-KRWDZBQOSA-N 472.592 2.602 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1722391397 LYMIXKASAZSJBL-MHZLTWQESA-N 477.609 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1n[nH]c(C)n1 1722400420 PLBIRHZSHQEEMD-UHFFFAOYSA-N 466.590 2.525 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1722430485 CTYSPQOLVPCFEY-LBNVMWSVSA-N 494.684 2.939 30 10 JFEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1722483440 GZGOUSMKVJSKJQ-CQSZACIVSA-N 487.358 2.583 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N2CCOCC2)CCSC1 1722518456 KDLOIZRFMOWNSB-JTAQYXEDSA-N 465.664 2.612 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722533438 SBAIUJLQBZEWCI-RDPSFJRHSA-N 484.620 2.590 30 10 JFEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1722552695 VAHJLMJVMRADRH-UHFFFAOYSA-N 472.037 2.835 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722706016 LDMVJPOLJBARNJ-UHFFFAOYSA-N 481.475 2.516 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NC(C)(C)C)C1 1722715554 UITSQVIYRIGDLG-INIZCTEOSA-N 465.558 2.680 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722729982 DEEDDTWDQJJGMU-TZIWHRDSSA-N 460.600 2.506 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1722731087 DDEJUOYQIIWBLY-QHCPKHFHSA-N 460.600 2.773 30 10 JFEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC)CC1 1722738427 JJEKRXHBVLUAGJ-LJQANCHMSA-N 459.572 2.988 30 10 JFEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1722840529 HPNNEMOHSXGWPL-HSZRJFAPSA-N 491.596 2.977 30 10 JFEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccn1 1723032118 DLJMTNRYTJYOGF-LJQANCHMSA-N 459.554 2.803 30 10 JFEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)s1 1727487312 FHHWPRYZTOURMX-KBPBESRZSA-N 459.601 2.537 30 10 JFEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC(O)CC2)cc1OC 1728848763 HCCZMALVRQCCNY-XMMPIXPASA-N 472.565 2.641 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(F)ccc1N1CCOCC1 1740556688 FNTALQOVCKWCHS-QGZVFWFLSA-N 482.585 2.752 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NCc1ccccc1 1740632015 FXKQVFRCPXIYKE-UHFFFAOYSA-N 479.382 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCN/C(O)=C1/N=CC=CC1=O 1740650137 QBQVDBIPPTWLQI-GYHWCHFESA-N 454.490 2.681 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCN2CCC[C@@H]2C)CC1 1740691946 DWTJTYFQYMUEIA-NRFANRHFSA-N 466.630 2.982 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1 1740716983 GINOMEWHKWBZOL-KRWDZBQOSA-N 462.576 2.577 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1740823888 FUJXKPBBLZQKKV-CJFMBICVSA-N 471.577 2.958 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740849426 JCCYEARBIGSYKY-UHFFFAOYSA-N 482.604 2.881 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740888309 IRELRLOGRTZAOZ-GOEBONIOSA-N 454.369 2.869 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1740899877 PWLSSQNDBUMGEV-TZIWHRDSSA-N 459.616 2.648 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1C 1740916133 DPWGDUSDEKBXJR-BVYCBKJFSA-N 469.611 2.917 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1740955692 CWOFQIFZBACKFC-UHFFFAOYSA-N 470.921 2.847 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740971785 XBOGPFXPMYMHRY-HSZRJFAPSA-N 460.600 2.501 30 10 JFEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740995655 SZMXGFMWVWTRIG-UHFFFAOYSA-N 450.653 2.810 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1741005453 JNYWTRGTENBGRO-IBGZPJMESA-N 452.584 2.849 30 10 JFEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccco1 1741950520 BTGKBTHTDQOZKL-WMZHIEFXSA-N 469.567 2.721 30 10 JFEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1748278176 GDURZCDXAIWGJR-UHFFFAOYSA-N 493.612 2.530 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 1748751980 PHLHGYUYVZVUHU-INIZCTEOSA-N 468.526 2.840 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748810075 RUNOSSFSNOAWPM-IBGZPJMESA-N 474.583 2.506 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748810598 YCQNUMRIJVCIHP-DVECYGJZSA-N 456.612 2.821 30 10 JFEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748818243 XYNNPOUQWJEGAB-LJQANCHMSA-N 491.658 2.819 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)c2nccs2)CC1 1749016523 FWEIWNQMBMJYMB-OAHLLOKOSA-N 469.640 2.860 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749040170 PVRBYPVUTZTKCD-DEOSSOPVSA-N 466.611 2.729 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749115760 VVJRJFWPIJHTMK-UKRRQHHQSA-N 452.357 2.613 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1749130571 MFTITZVQTSZKOZ-BDTNDASRSA-N 495.690 2.794 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2Cl)CC1 1749268706 FXKCRRJKOVBTQU-OAHLLOKOSA-N 456.399 2.913 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1749268729 GHOJOJIAAGAVGG-QGZVFWFLSA-N 490.413 2.662 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1749430974 VPJCLBQWLOMCJF-IBGZPJMESA-N 476.622 2.857 30 10 JFEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749438433 XLLDFHSYLVOPKX-UHFFFAOYSA-N 469.586 2.907 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1749488004 IDGSWHTUWLAILS-NRFANRHFSA-N 475.615 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1749730772 QAGMKSBBUBXOIM-UHFFFAOYSA-N 496.559 2.722 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749738238 JUBMJVVDTAVXGY-GOSISDBHSA-N 467.636 2.667 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749760879 PULQIFJBPNHZKE-MRXNPFEDSA-N 471.553 2.564 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760146522 OOJJWFABVJTCBZ-SFHVURJKSA-N 477.544 2.791 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOc1ccc(Cl)cn1 1760170570 IEJRJKRDBIJQHW-UHFFFAOYSA-N 463.929 2.872 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760190233 USKXNVGFERIUFG-HXUWFJFHSA-N 465.579 2.641 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(Cl)cc1 1760218235 BCPYOGZKJDVITM-QUCCMNQESA-N 460.987 2.684 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1760220810 SUUWGBKSNKOACK-XMMPIXPASA-N 468.561 2.893 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCN(CC)CC1 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C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1286484361 MMPUSOPSNHAPQY-QFIPXVFZSA-N 466.630 2.741 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286509259 XIAHJQDDKQYBDO-RBUKOAKNSA-N 490.674 2.897 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286597454 OBYYVZYLVVHGHL-UHFFFAOYSA-N 482.629 2.966 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286604348 JCTWKZGHGUWRMM-INIZCTEOSA-N 478.395 2.669 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286605368 LRTHONIVPGBTQA-UHFFFAOYSA-N 461.570 2.667 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C)C1CC1 1286736955 JQOWGHCNZWHRRE-IBGZPJMESA-N 466.007 2.776 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCC1 1286742007 MSISPBRGFWFHHP-OAQYLSRUSA-N 469.611 2.940 30 10 JFEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1286779236 QOYXAVUJGZNTBO-RXVVDRJESA-N 455.559 2.549 30 10 JFEE 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C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286756933 AASXRZJLKIFGGJ-SJORKVTESA-N 458.584 2.739 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286821787 UZMTYIMLQNQUOF-HXUWFJFHSA-N 484.626 2.596 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286824209 XGTXDXFHJFUWRL-AEFFLSMTSA-N 488.532 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286824212 XGTXDXFHJFUWRL-WMZOPIPTSA-N 488.532 2.922 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(OCCO)c(OC)c1 1291604152 BECHCSHNXWBKPC-LJQANCHMSA-N 491.596 2.813 30 10 JFEE C#C[C@@H](NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)[C@@H]1CCCO1 1296701521 OMVCKPBRHSMRAT-FSSWDIPSSA-N 452.555 2.664 30 10 JFEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300353004 FPOJFUDSLNXUNE-UHFFFAOYSA-N 463.630 2.961 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300565724 WDFNYOFLVUZXGL-UHFFFAOYSA-N 476.968 2.972 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2ccnc2C)CC1 1300683775 SSHBRKMGKOJYOT-LJQANCHMSA-N 451.550 2.908 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1300709816 HLRWUGNLVYKEPA-UHFFFAOYSA-N 472.565 2.618 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1300778920 KBYONJKPBYRZFS-RUZDIDTESA-N 476.537 2.992 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(Cc3ccccc3)c2)CC1 1301105391 IRNAEKWZJRCHPE-SFHVURJKSA-N 469.615 2.584 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCCS1(=O)=O 1301337711 LKHYYNOXUWJCMI-HXUWFJFHSA-N 468.583 2.904 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1301472797 OGJRZMRJRNBUNS-QGZVFWFLSA-N 456.616 2.554 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 1301535143 IJGOPCLVVRYVFD-OAQYLSRUSA-N 452.603 2.706 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(C)nn2C)C1 1301566639 AHYXERWVWQMHNN-WSTZPKSXSA-N 471.606 2.920 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1301576580 FHNCNVYAXUNCSX-UHFFFAOYSA-N 499.984 2.880 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C 1301596098 HSSDREXBUHAXKW-SFHVURJKSA-N 465.664 2.651 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1301969998 BAGQVSLQCSXRTL-ZWKOTPCHSA-N 459.595 2.643 30 10 JFEE O=C1CC[C@H]2[C@@H](c3cc(C(=O)ON4C(=O)CCC4=O)ccc3C(=O)O)c3ccc(O)cc3O[C@@H]2C1 1307302201 ZDLBTZISDZBVGO-LLBVYWAGSA-N 479.441 2.573 30 10 JFEE CN(C)CCN1CCC(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1314669306 APMOIQUWXLNLAD-HSZRJFAPSA-N 451.619 2.564 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1358906622 NWYLVWQHXAVEAQ-LEWJYISDSA-N 458.584 2.536 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1358919148 SXAFSOXQWZRIQA-UHFFFAOYSA-N 463.517 2.813 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1358989863 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465.602 2.798 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn2ccsc2n1 1359278840 IUFSTQPTMLMSRA-UHFFFAOYSA-N 472.596 2.745 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)COC)C1 1359318294 AWFHCRKDFZPKQA-ROUUACIJSA-N 452.559 2.739 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OCC)C1 1359321992 OGNJPKQCWYFDJB-PMACEKPBSA-N 460.600 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1359331450 ZOOVRHBWHCYTIC-UHFFFAOYSA-N 469.567 2.657 30 10 JFEE C=CCn1c(SCC(=O)NC2(CCO)CCN(C)CC2)nnc1-c1ccc(Cl)cc1 1447222107 PLTJYVKOWOXXOZ-UHFFFAOYSA-N 450.008 2.840 30 10 JFEE CC1CCN([C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2ccccc2)CC1 1464397258 HTGMBSPNFCIRKD-AUSIDOKSSA-N 454.596 2.814 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)c1 1504139700 FZJUGAABOKYVGP-MRXNPFEDSA-N 461.364 2.541 30 10 JFEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507578968 HOLKUFGFEKLQIB-UHFFFAOYSA-N 494.397 2.942 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507627071 IIYKWLUYHSXFIK-IBGZPJMESA-N 494.061 2.964 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507632489 MBNYBGMNEYSYSD-SFHVURJKSA-N 497.543 2.947 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCCC1(C)C 1507680619 GLHHANHGNKUXOG-QHCPKHFHSA-N 458.632 2.947 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC2(C1)OCCO2 1507714831 XTXZTYIOICIJTP-AQNXPRMDSA-N 489.617 2.678 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507720294 JEHOFGIGTDIRNF-XMMPIXPASA-N 450.631 2.620 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 1507797963 TYXPHPOTWMZDRX-UTKZUKDTSA-N 471.558 2.832 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCCc2ccccc2)CC1 1507886706 DYWKQCZICSUOSE-UHFFFAOYSA-N 464.595 2.785 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507920539 WGFUUVWMDXEYLO-UHFFFAOYSA-N 454.550 2.995 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1508002397 HDORZQOBMDOZRY-GOSISDBHSA-N 456.572 2.561 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCCN2C[C@H]1C)C(C)C 1508012772 IYFWPAFCMAOTAY-YUMYIRISSA-N 455.651 2.601 30 10 JFEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1510994809 FEPGJEYBVQZYCQ-XXBNENTESA-N 472.615 2.720 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCOCC1 1519165882 CPTMIJLPNFCDLD-UHFFFAOYSA-N 482.354 2.755 30 10 JFEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1520475778 CBHSZQABIIKGNT-HXUWFJFHSA-N 453.514 2.689 30 10 JFEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)ccc1F 1523935577 BNJSYAOZFTZFJZ-UHFFFAOYSA-N 456.503 2.666 30 10 JFEE C=CCn1c(SCC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)nnc1-c1ccc(Cl)cc1 1525729123 SSJCPECEEPAZCR-CYBMUJFWSA-N 455.005 2.959 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539219375 JIRZFKWRLJCASO-UGKGYDQZSA-N 490.073 2.881 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCN(CC)S(C)(=O)=O 1539245784 FAZBPDXDJXQTSX-UHFFFAOYSA-N 484.445 2.514 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1539271585 FJABFZJPTXDYKC-VWLOTQADSA-N 454.578 2.628 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H]1C(C)C 1539384500 JNNCOLNAIVOPNR-DSKINZAPSA-N 477.606 2.728 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1539484433 OWCPIUCHWXWTSU-QFIPXVFZSA-N 477.638 2.594 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cc(C)cc(C)c2)CC1 1539489917 ZZDMMNYMWFEHHJ-UHFFFAOYSA-N 489.624 2.801 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539504200 AXRZDBUSCURSKI-PBHICJAKSA-N 461.975 2.908 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1539637311 PFZCSDLKLQPJQK-CVDCTZTESA-N 474.005 2.799 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539701553 LHPPQGSNJXUPFB-KURKYZTESA-N 460.579 2.903 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C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300751689 NQABEVJPKWUBEZ-QFIPXVFZSA-N 473.002 2.779 30 10 JFEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1300983531 KYHHVFGGMHLBPT-UHFFFAOYSA-N 458.588 2.537 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1300988430 CBTCVBLNMVSAGF-OAQYLSRUSA-N 455.559 2.834 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2CCCC)CC1 1301106251 SFQNHIZWHNOXLU-UYAOXDASSA-N 452.669 2.945 30 10 JFEE C#C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)C1CCOCC1 1301131919 GJTHIJVNKFYATQ-BJKOFHAPSA-N 452.576 2.655 30 10 JFEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301189233 TVSKIJGWTLEDEB-OAQYLSRUSA-N 475.615 2.913 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H](C(F)F)N1CCOCC1 1301270632 JRSDQULYSTXHMO-QGZVFWFLSA-N 497.616 2.525 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1301366666 GVGXBMCURPIAFZ-PKTZIBPZSA-N 481.645 2.875 30 10 JFEE 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2.958 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1359137903 FAHFEYLHGULSQU-MJGOQNOKSA-N 490.630 2.705 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1359198450 QYEDOTPGLUCHPF-CMKODMSKSA-N 450.653 2.698 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1359255739 JBWXAEBCHRAGAC-HFZDXXHNSA-N 478.597 2.909 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1359270166 DPJNHUNPEIBKRA-YSIASYRMSA-N 469.590 2.881 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(OCCOC)CC1 1359295009 MAPXWYLXEMDSRC-UHFFFAOYSA-N 492.418 2.950 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)Cc1cnn(C)c1 1359295502 DJCNQCVJQMKKSL-UHFFFAOYSA-N 488.390 2.778 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2Br)nnc1[C@]1(OCC)CCOC1 1359305433 CLIODUKOTGXPCH-NRFANRHFSA-N 478.391 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359335382 JWBRYAWHMSQWIV-FQEVSTJZSA-N 488.589 2.844 30 10 JFEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359338419 VNJLXBUTZVWTSH-GOSISDBHSA-N 452.602 2.505 30 10 JFEE C#CCN(C(=O)[C@@H]1CC12CCS(=O)(=O)CC2)[C@H]1CCOc2ccc(Br)cc21 1360556953 ITFFYPMAKSHTRL-IRXDYDNUSA-N 452.370 2.949 30 10 JFEE C#CCN(C(=O)c1nnn(-c2ccn(C)n2)c1C)[C@@H]1CCOc2ccc(Br)cc21 1435174671 HZDFCFNXILNWBH-MRXNPFEDSA-N 455.316 2.671 30 10 JFEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)CC1 1447300217 BHDANERDJMBWHC-UYAOXDASSA-N 450.495 2.623 30 10 JFEE N#Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)nc1 1450769208 BIQMEGYZHWJWSM-QFIPXVFZSA-N 450.495 2.524 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)s1 1453583217 YTYJCRPVRGLWNF-CVEARBPZSA-N 471.645 2.907 30 10 JFEE CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1474764253 AVXREXHCNSVWSJ-UHFFFAOYSA-N 454.401 2.569 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c1 1475166705 ASCOKJLQPHKGRA-VQIMIIECSA-N 451.589 2.916 30 10 JFEE C=C(C)CN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1475853266 OVLIPJMHSPCDST-UHFFFAOYSA-N 451.637 2.899 30 10 JFEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 1499695442 AEUSZDKETSYYBK-KNQAVFIVSA-N 451.619 2.846 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC2([S@](C)=O)CCC2)c1 1507552833 ULRXIDLSJPAXLM-UMSFTDKQSA-N 496.662 2.991 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507565919 AUIZDHQTOWZTAT-UFYCRDLUSA-N 486.617 2.637 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507624523 BDKDEYXFNCFBBB-APWZRJJASA-N 493.427 2.761 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507640841 WSDNJZDISZQZRJ-GOSISDBHSA-N 476.574 2.582 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507641454 GADAXJUWHFIOCL-HCUOBIAZSA-N 497.640 2.895 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCNS(C)(=O)=O 1507642433 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C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1540871983 ZBCPJSYPWGUUMS-KRWDZBQOSA-N 458.611 2.559 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540900513 YBUNCOGNEPMMJI-HOTGVXAUSA-N 453.012 2.513 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540905531 WWTOHLVRAGWKGW-LJQANCHMSA-N 472.590 2.726 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1540905978 XVZJZSIXOIBLNF-IBGZPJMESA-N 478.594 2.617 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 1545892929 GWSFZKHTBMAVTM-RGELYXPASA-N 458.559 2.912 30 10 JFEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCCS2(=O)=O)CCO1 1555991931 AXMNHULEAXBIKE-HUUCEWRRSA-N 498.378 2.543 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccs1 1587640614 USEYLZQDMAAYLP-DLBZAZTESA-N 488.614 2.536 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1588053064 AQVNSFIFNAEVGL-FGZHOGPDSA-N 454.596 2.685 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(NC(=O)OC)c1 1588090315 VRJAATAOHSHEGF-DEOSSOPVSA-N 451.527 2.618 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)Oc1ccccc1C 1588628037 CRQWGZBADDNHED-SFHVURJKSA-N 451.527 2.868 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CC(OC(C)(C)C)C2)CC1 1588751841 OEXIGVRUBPFTKH-UXIGSVSMSA-N 459.635 2.669 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CC(OCC)C2)CC1 1588780449 QCQPEGCGUTWIDU-UHFFFAOYSA-N 464.397 2.937 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1589366974 OBIBMLIYZKSLMA-JKSUJKDBSA-N 465.396 2.560 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)COC)CC1 1589559490 RXDJLRUXRKCRAN-AVRDEDQJSA-N 459.616 2.643 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1593600032 BDXAWRYDNHHWKM-SFHVURJKSA-N 463.604 2.835 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1594559061 CYDZEJLHOBYWNK-UHFFFAOYSA-N 457.667 2.865 30 10 JFEE 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495.715 2.765 30 10 JFEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)C1 1595895871 QWCUKNIVXAOJAL-UHFFFAOYSA-N 453.616 2.740 30 10 JFEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1613296331 AKQYGLGSRZVIPF-NZQKXSOJSA-N 499.685 2.800 30 10 JFEE CO[C@@H](C)c1nc(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)cs1 1618927612 AJDIGCGEXLGBCU-KBXCAEBGSA-N 458.519 2.937 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)c1 1631021702 XSYQQHUMHWZJHD-CYBMUJFWSA-N 453.333 2.861 30 10 JFEE COc1ccccc1[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccn1 1637823933 ADKVUCIVEHCXJD-ZHRRBRCNSA-N 450.520 2.534 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)ccc1F 1640326923 XJDQUGFOUCQCIK-KRWDZBQOSA-N 453.536 2.517 30 10 JFEE C#C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)C1CCOCC1 1645988308 YLKNTAZCNMDWOB-QHCPKHFHSA-N 454.548 2.526 30 10 JFEE CS(=O)(=O)N1CCN(c2ccc(Nc3cc(Br)c(C#N)cc3F)cn2)CC1 1655111492 BVRQEEQCIMYKLR-UHFFFAOYSA-N 454.325 2.680 30 10 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453.524 2.940 30 10 JFEE CCOc1c(C=Nn2c(COC)nnc2SCC(=O)NCc2ccco2)cccc1OC 2331570918 KGTTZKXSYOZJEM-UHFFFAOYSA-N 459.528 2.716 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2337334473 MWXCXIADUQZLAE-JLCFBVMHSA-N 463.409 2.819 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2337396496 OLQRZZMGCYOMEE-GOEBONIOSA-N 463.409 2.914 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CO)CNc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2339600187 LQVKFVYEUJTTNK-ZDUSSCGKSA-N 461.290 2.697 30 10 JFEE Cc1scc(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2343498386 PRZOHMZSYFZMQY-HZPDHXFCSA-N 466.409 2.768 30 10 JFEE CO[C@H]1C[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)N(C(=O)OC(C)(C)C)C1 2345742605 ZOCCPIKXKJCVME-CABCVRRESA-N 452.332 2.923 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H]2C[C@@H]21 2359277797 UFPIANCAFGWVCB-UAGQMJEPSA-N 461.343 2.648 30 10 JFEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC1 2371986107 XZMHDISXLFFLTH-XIFFEERXSA-N 484.403 2.717 30 10 JFEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(OC)c3)n2N)c(C)c1 20292814 AVEBYXQHOSEJGX-FOKLQQMPSA-N 471.543 2.503 30 10 JFEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cc1 20806048 KLEGCGZIFOOUGY-FOKLQQMPSA-N 453.528 2.572 30 10 JFEE CC(C)n1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cn1 20911042 QQZSFBROVUUNQG-UFFVCSGVSA-N 456.532 2.920 30 10 JFEE C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C2=C1CN([C@@H](Cc1ccccc1)C(=O)NCCOC)C2=O 35969778 YOGOCGSHXMEDDO-WIOPSUGQSA-N 488.588 2.718 30 10 JFEE C#CCOC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C 36309968 SWTAJAFUZPRWQC-UNMCSNQZSA-N 456.608 2.894 30 10 JFEE N#Cc1cccnc1N1CCCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 108918686 UUGABRPSIARFHR-UHFFFAOYSA-N 450.587 2.650 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3ccc(OCC)cc3)cc21 586338330 STAMYGDWPNTHBI-MIKNWGHHSA-N 470.547 2.955 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCO[C@H](C)[C@H]1C(=O)O 757299629 PXXLKJDTXNZZLK-XARZLDAJSA-N 462.502 2.618 30 10 JFEE C[C@H](O)[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757405307 ZQJOEBQHMAPEJU-GMWOSMDTSA-N 479.533 2.928 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1nc(-c2ccccc2)ccc1=O 919547592 BGMZQGQUVWUGEH-GOSISDBHSA-N 460.490 2.797 30 10 JFEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cccc4ccccc34)n[nH]2)cn1 1084066280 PWMVEQFGUCQEMR-UHFFFAOYSA-N 450.528 2.978 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=C(C)c3ccc4c(c3)OCO4)n2)cc1OC 1084534752 BKJCTBOXQCDSOP-UHFFFAOYSA-N 498.565 2.838 30 10 JFEE C#CCN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@@H]1CCOc2ccc(Br)cc21 1126151151 MLEZHIRSBGNOQF-QGZVFWFLSA-N 459.344 2.519 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1214686716 FLGWHHAGGTZRMT-KRWDZBQOSA-N 452.577 2.966 30 10 JFEE COc1ccc(CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Cl)c1OC 1225935605 AHXCVRUFYBDLPT-CABCVRRESA-N 452.939 2.958 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(Cc4ccccc4Cl)CC3)C2=O)cc1 1227630822 DEUYNRCGCIUSOG-JOCHJYFZSA-N 451.958 2.840 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286282302 LTPQYZWXJOZLLY-ZIAGYGMSSA-N 456.399 2.991 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)cc1N1CCOCC1 1286304402 VZZYEXYTFSDTET-IBGZPJMESA-N 478.622 2.921 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)N2CCOCC2)c1 1286311487 MUHRNZDBIZNGNW-LJQANCHMSA-N 478.622 2.707 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(Cc1ccnn1C)C1CC1 1286339457 MIKMSUSOLXZLRS-UHFFFAOYSA-N 467.599 2.511 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1286339826 PQABAERSMYXBCE-NRFANRHFSA-N 471.627 2.862 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN(CC(C)C)C1 1286400436 GAQMPRFNDGKEFW-QFIPXVFZSA-N 495.697 2.987 30 10 JFEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cccnc1-n1cccn1 1286412174 BRNYUYFWOJPASI-UHFFFAOYSA-N 451.534 2.774 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCCC2(C)C)CC1 1286485108 CTYIPUMJKUTDDO-BVFVYWQFSA-N 486.661 2.745 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(COC)CCCCC2)CC1 1286489655 BFRNFAPIXNXXDJ-UHFFFAOYSA-N 450.587 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nccc(C(F)F)n2)CC1 1286492109 HNKASHKXJHQANG-UHFFFAOYSA-N 495.534 2.907 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1286511461 LOIXBAAHCXUKTO-LJQANCHMSA-N 491.564 2.946 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCSC1 1286515652 LNOMGGBUTGQYKJ-MOPGFXCFSA-N 450.406 2.906 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286561305 MWUCFVLQOAAKJO-PKOBYXMFSA-N 455.563 2.773 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1286561930 DENOVJIBNAIGQC-GGAORHGYSA-N 463.586 2.856 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286587675 QRONGAZYTFHYDQ-UHFFFAOYSA-N 496.641 2.505 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286589228 VRAQDUCIYAXVBX-UHFFFAOYSA-N 477.407 2.503 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286604638 NOIMVYSRSQVBSB-WMZHIEFXSA-N 471.602 2.712 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286695738 GNCXYPAFPPGDTF-UHFFFAOYSA-N 458.954 2.811 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1286749124 KXMDVMFAHQBGAV-QGZVFWFLSA-N 483.685 2.761 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCCC2)C1 1287048974 HIVOFWYDYAMZPG-BXKMTCNYSA-N 489.596 2.880 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(Br)cc(OC)c2)ccc1F 1288679026 MLJQBFIRMYWGPH-UHFFFAOYSA-N 457.321 2.991 30 10 JFEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccc(OC)nc1 1297270998 HGUIIRWWAVVNIM-UHFFFAOYSA-N 451.506 2.604 30 10 JFEE Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 1298727458 QQIRKAOPBNHQRT-HNNXBMFYSA-N 454.298 2.825 30 10 JFEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1298943403 DXCQVHWIJYENQQ-LJQANCHMSA-N 479.629 2.812 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)c1 1300332461 GWEWVGLPCJFQEH-UHFFFAOYSA-N 486.580 2.584 30 10 JFEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1300357617 SAZVBJXRYFUXSV-HNNXBMFYSA-N 452.481 2.882 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2OC)CC1 1300371227 APIZETJMLFFXNL-UHFFFAOYSA-N 450.587 2.535 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300481689 BOQPTQQGXPKJNC-TZIWHRDSSA-N 454.552 2.861 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300482281 DNMDNISSQGZILV-GUDVDZBRSA-N 479.647 2.818 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1300485084 WPOAEAZSOWIENE-PKTZIBPZSA-N 480.638 2.708 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCn2cc(C)nc21 1300516051 ICWIVMKQLCHUJB-FQEVSTJZSA-N 462.579 2.504 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC(F)(F)C2)CC1 1300710928 QFWWNVFUGAPILR-MRXNPFEDSA-N 464.561 2.598 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 1300715627 AUZOULRTUAYACC-WMZHIEFXSA-N 479.572 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1300722826 LXHHPINXBOOBQB-UHFFFAOYSA-N 495.628 2.918 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1300751045 DGHROPPWYFSVHE-KRWDZBQOSA-N 455.584 2.733 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300765476 FFGPBEVIZCNCQU-UHFFFAOYSA-N 467.618 2.820 30 10 JFEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300768018 JPQLFGLEDVYLEX-UHFFFAOYSA-N 486.667 2.508 30 10 JFEE C#CCSCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300778496 XQOXWMQNICPYQC-VWLOTQADSA-N 480.638 2.883 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1300930519 FSCKLFPKOHYCCC-SFHVURJKSA-N 473.647 2.864 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1300952563 YJNCXHMDIZFONB-CVEARBPZSA-N 468.649 2.712 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301155503 OYGXFNYCPLLACA-UHFFFAOYSA-N 485.658 2.507 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1)c1ccccc1 1301165944 NHKRNRAVPKMFGE-UXHICEINSA-N 452.559 2.868 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1301188399 IWWGJIUXFURWRL-QGZVFWFLSA-N 450.634 2.710 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1301289324 AMCUCMBFYBBSDQ-SFHVURJKSA-N 451.575 2.579 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 1301474662 FCJOIRRMUKAKNV-UHFFFAOYSA-N 485.639 2.775 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301578148 SPFRYXQOKZMXBB-HNNXBMFYSA-N 475.512 2.758 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCn2nc(C)nc2C1 1301594632 IBXFLTDHMGDOGG-UHFFFAOYSA-N 452.588 2.987 30 10 JFEE CC(C)CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)CCN2C1=O 1303175112 HUXJHASBHODEME-BWKNWUBXSA-N 465.602 2.806 30 10 JFEE C=CCn1c(SCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1cccnc1 1307278117 SNSATSLIGWJWCU-HNNXBMFYSA-N 454.531 2.751 30 10 JFEE CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)CC1 1309080687 DUZWTCUEGUDYQA-UHFFFAOYSA-N 454.390 2.980 30 10 JFEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1313781989 GBQRKHGOWPCJOX-PZJWPPBQSA-N 473.599 2.559 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1C1OCCO1 1358896544 GZTLMSOPDQAJQY-INIZCTEOSA-N 451.552 2.821 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1nnc(C(C)(C)C)s1 1358992875 ZIEWAACGEYTTSQ-UHFFFAOYSA-N 451.556 2.666 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1359038665 FCIBXAHNNYTULL-IBGZPJMESA-N 486.592 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OC(F)F)CC1 1359046484 TUCIICAKPRSXRR-UHFFFAOYSA-N 480.519 2.879 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1359099811 TVWMTMCTGGCRLS-ZLNRFVROSA-N 499.637 2.686 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1359133263 OGGIXGKMTNAXCQ-NLFFAJNJSA-N 491.633 2.981 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359189897 XVBDFUNVMXQKAP-HOTGVXAUSA-N 479.569 2.992 30 10 JFEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1359193181 ZQJCORNTQZUSFO-NHCUHLMSSA-N 471.627 2.887 30 10 JFEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1)c1ccccc1 1359194066 OGRXBIPMRASEGF-ICSRJNTNSA-N 459.616 2.865 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)NC(C)(C)C 1359209123 BNRMEWDORIBIIZ-UHFFFAOYSA-N 461.636 2.864 30 10 JFEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359214459 DOMGAXRDXHWVLC-IBGZPJMESA-N 498.632 2.946 30 10 JFEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359227370 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465.396 2.978 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1508074169 QUYRSRVBYUOYOS-PWIZWCRZSA-N 457.600 2.666 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@](C)(OC)C1 1508087620 CWOKXCVMGIORHV-MHECFPHRSA-N 476.622 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCO[C@H](C)C1 1508131121 KUVVXPJQMUQYJS-IAGOWNOFSA-N 452.552 2.773 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508692381 DTLDAAWOJGPHCF-LJQANCHMSA-N 484.626 2.525 30 10 JFEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c(OCC(F)(F)F)c1 1510869994 DHFGWZSLNBYCJO-GJZGRUSLSA-N 488.536 2.782 30 10 JFEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)cn1 1515771547 AZWCKKFVLPCCFF-UHFFFAOYSA-N 459.558 2.980 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1516793438 DGWAEGZIIOCNHO-OAQYLSRUSA-N 459.597 2.657 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 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C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1594522102 WIJXMNMTMLKNSR-UHFFFAOYSA-N 477.617 2.563 30 10 JFEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1594687175 HOSKMNMEEZPHMG-UHFFFAOYSA-N 462.602 2.948 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1595261232 PGPNFUGRCDTXAA-IBGZPJMESA-N 489.642 2.657 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1595303666 XODLMZQSLDMPLT-MRXNPFEDSA-N 460.556 2.622 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595369655 XWAGKMLNEYYGCY-FQEVSTJZSA-N 459.348 2.708 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1595506681 JJNALRDGFJSMKE-UHFFFAOYSA-N 473.006 2.696 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)C1 1595664761 JMUMWNJYRDAEJL-SFHVURJKSA-N 453.522 2.571 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CCOCC2)C1 1595773024 MTTLPPPBYWASET-UHFFFAOYSA-N 451.980 2.601 30 10 JFEE C=CCSCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1595905693 OINZVVLABNDEAM-GCJKJVERSA-N 452.621 2.624 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)C)CC2)C1 1607581018 DYASXOGPVHOCIY-QHCPKHFHSA-N 451.619 2.704 30 10 JFEE CC(C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1609766781 FRUUWRQMZMLVHR-UHFFFAOYSA-N 462.533 2.592 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1611768891 FQXPFOAQOKUSSH-OAQYLSRUSA-N 466.677 2.519 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)CC1)S(C)(=O)=O 1615282249 ASVSUNIAYJTEIQ-DEOSSOPVSA-N 498.609 2.568 30 10 JFEE C#CCn1cc(CNC(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)cn1 1626740463 NAMQBXPPWGAYAB-UHFFFAOYSA-N 453.222 2.808 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)ccc1F 1631656270 YSOZVJTURDSTEU-IYBDPMFKSA-N 453.536 2.514 30 10 JFEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1682293693 UIHLEVVAGBHXEA-NRFANRHFSA-N 455.505 2.827 30 10 JFEE 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C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358891379 FPMRLEGUJOVNFO-FIKGOQFSSA-N 477.581 2.809 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358956681 JKCJJYASNSQDMD-SFTDATJTSA-N 456.612 2.800 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358962675 URJDADGBGJBJOH-RTBURBONSA-N 469.567 2.652 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCC(C)CC1 1359024407 MGSDBSDACDBWHH-QFIPXVFZSA-N 480.661 2.659 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1359032475 PNKCGPKOCMLGAI-HXUWFJFHSA-N 457.022 2.855 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)[C@H](C)C1 1359106002 WHOLXUSIALZDSO-IECBHUPTSA-N 469.586 2.904 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1359127993 GVZOGPONZKGMEP-UHFFFAOYSA-N 472.615 2.918 30 10 JFEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 1359139867 HEVZSOZWHNZYAE-UHFFFAOYSA-N 483.642 2.713 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359158347 NZMOGFYAMRITCL-XHSDSOJGSA-N 452.943 2.839 30 10 JFEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNC(=O)c2cccc(O)c2)CC1 1359182441 GSTYQAJBWOCATA-UNMCSNQZSA-N 469.586 2.930 30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C)C1CC1 1359251365 JVFMNJPHTYCJNB-INIZCTEOSA-N 453.609 2.640 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC=CO1 1359281851 LAZHBJGTLIJCAM-RBUKOAKNSA-N 463.579 2.918 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359292966 CEHOWMBHZYVBSS-FQEVSTJZSA-N 477.613 2.651 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)CC2)c1C#N 1466921142 FKWIASPYZVPDIZ-NRFANRHFSA-N 452.559 2.590 30 10 JFEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1501889196 BHQGKZPPNINJPV-UHFFFAOYSA-N 470.643 2.952 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCC1 1503463485 DDDFRYXCNWTCFE-UHFFFAOYSA-N 450.568 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492.605 2.874 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C)[C@@H](C)C2)cc1 1540877973 KLVGRVSUOGMHOV-DXIQSLLYSA-N 489.642 2.706 30 10 JFEE CCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1547677702 AKUIGANVGBWIQR-FQEVSTJZSA-N 486.642 2.617 30 10 JFEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cn1 1554336529 DRBMECAPNUBETB-UHFFFAOYSA-N 475.601 2.813 30 10 JFEE C=CCN1CC[C@H](N(C)C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)C1=O 1556382977 BQKWNPXDZSTJLA-SFHVURJKSA-N 451.552 2.924 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 1561269236 ZTBAGZLSHCOYEN-HKUYNNGSSA-N 451.589 2.964 30 10 JFEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)cc1 1564798039 AGTVPIHMXMCVEY-NRFANRHFSA-N 455.580 2.907 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1588040086 IAJZMRPEVBZLIM-KRWDZBQOSA-N 459.597 2.789 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588050939 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FINMUDMRZGMISY-RCZVLFRGSA-N 488.677 2.566 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@](C)(CC)C1 1593735411 FVIQKSBZHKCMBY-QFIPXVFZSA-N 462.620 2.836 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)c(F)c1 1594992696 PERNPXCDNJSNKY-UHFFFAOYSA-N 470.574 2.916 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1595161533 CXNPHBYPPKXHEV-KRWDZBQOSA-N 451.618 2.665 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1595500772 FFCUIUBXBVXHCT-AWEZNQCLSA-N 496.431 2.846 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2OCC)CC1 1595501609 ZKWPDYPIBZCEGT-UHFFFAOYSA-N 450.543 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCCC[C@H]2C1 1595837729 CDCFEEIZMUHHPG-FYQPLNBISA-N 452.621 2.619 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595844867 IVADKYUEMRZHCA-CQSZACIVSA-N 466.409 2.511 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595890155 KUSMTHPMGGJMAB-HSZRJFAPSA-N 472.590 2.742 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1598194831 BTKDUTNJSYKRLE-VWLOTQADSA-N 466.586 2.841 30 10 JFEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(=O)N1CCCCCC1 1608234816 CLYQZKJOMDSIJN-UHFFFAOYSA-N 451.575 2.717 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1C(C)(C)C 1611623190 HOSKLUKIIHCGKJ-KNQAVFIVSA-N 452.603 2.993 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC)N2CCCC2)CC1 1615046340 CREBOAUIBVRBIH-QHCPKHFHSA-N 499.685 2.989 30 10 JFEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1615693339 SPELBEPETAWGIJ-HXUWFJFHSA-N 450.624 2.829 30 10 JFEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)C1 1618595074 BWJAECPKRXWQKZ-CYFREDJKSA-N 454.575 2.752 30 10 JFEE COC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1)OC 1619595041 ALPGNQZOSNVNJZ-IFXJQAMLSA-N 468.327 2.820 30 10 JFEE COc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1621750897 GHQJSJQUVQNDJN-UHFFFAOYSA-N 450.358 2.836 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 1627015190 LBFSPAWYQJEVRD-UHFFFAOYSA-N 452.536 2.643 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1CN1CCCCCC1 1633355381 FSWOSUNIMMEWGA-IBGZPJMESA-N 454.596 2.917 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1689831856 SODFCQZYJOFXHG-MHECFPHRSA-N 459.591 2.955 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN2CC)c1 1689873818 XVZYPVQETZGYFB-QHCPKHFHSA-N 474.613 2.680 30 10 JFEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689901100 BHVPLFUGGOTPHQ-UHFFFAOYSA-N 459.616 2.749 30 10 JFEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1689924625 NPDDWWQBVDGJKB-UHFFFAOYSA-N 458.570 2.526 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OCCC)nc1 1689960983 GQMWGGKKNNJQDQ-UHFFFAOYSA-N 457.538 2.976 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986366 OBAKQOKFACTPBL-JOCHJYFZSA-N 455.628 2.836 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1689988370 NSPSRQWQXRBXTM-JTSKRJEESA-N 463.003 2.733 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCN1CCN(Cc2ccccc2)CC1 1690024288 ZITPFIHRYAPEAT-UHFFFAOYSA-N 458.635 2.821 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCCC1=O 1690050114 STMIBNGWSXQVAV-UHFFFAOYSA-N 452.562 2.898 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1690136238 CDQSZVCXKRGJLN-UHFFFAOYSA-N 458.607 2.767 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690140349 WAAYWVXIOSCIDF-FQEVSTJZSA-N 498.075 2.590 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(N(C)C)cc2)CC1 1690150379 FRHRMVVSVJEZIY-UHFFFAOYSA-N 471.609 2.538 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1690188732 OBWZCTDSXXOGHL-NTKDMRAZSA-N 469.611 2.964 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(C)=O)CC1 1690239075 QYUOYVCEIFOHHA-WIYYLYMNSA-N 454.531 2.939 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690249270 WIFPLZDRZFJBIX-JLHGSKIFSA-N 495.596 2.646 30 10 JFEE C=CCCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690465353 YHHWNRNJXZMJLB-QYZOEREBSA-N 481.663 2.959 30 10 JFEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCNS(C)(=O)=O 1690476695 LSDQDNMZEABJLP-UHFFFAOYSA-N 460.373 2.798 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690636139 IRMUFANXZJJLSW-GOSISDBHSA-N 468.602 2.718 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690719190 HTUNYTXLSVRLFG-QHCPKHFHSA-N 498.653 2.827 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690727150 VOCHNRDVOZGGQR-FQEVSTJZSA-N 498.653 2.692 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nccs2)CC1 1690744645 QXMNOWYDLLZDIR-MRXNPFEDSA-N 453.659 2.940 30 10 JFEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCCC1 1696094628 BMTQKSLWCCCOBV-HXUWFJFHSA-N 473.599 2.701 30 10 JFEE CN(CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1696802242 CSTJTQIGHOUMDI-IBGZPJMESA-N 465.583 2.525 30 10 JFEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCC(=O)N2CCCCCC2)CCO1 1698492451 GECCFBNOVILJDR-JOCHJYFZSA-N 450.587 2.975 30 10 JFEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705518520 MQLAGTVLWIHEBO-UHFFFAOYSA-N 472.593 2.967 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1cccc(C)n1 1705574801 NTIPKUBYANRHAE-UHFFFAOYSA-N 475.622 2.956 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)cc1 1705628226 AOLVELJFPMHIDB-HXUWFJFHSA-N 472.611 2.636 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCO2)CC1 1705644963 HSMMUAMDGWFLQL-IEBWSBKVSA-N 455.534 2.702 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1705660392 UQNUKHFBWBZGFN-OAQYLSRUSA-N 489.667 2.538 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCN1CCCS1(=O)=O 1705668271 HXYYKXHBBURDRT-YADARESESA-N 487.626 2.844 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1csc(CC)n1 1705698407 TYFLYFFYNDOVBQ-VKJFTORMSA-N 468.649 2.525 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1OC)C[C@@H]1CCCO1 1705725634 LPRUDMFDRVNRMM-UXHICEINSA-N 460.600 2.951 30 10 JFEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705733361 NAQMSZYOMGLCDM-FQEVSTJZSA-N 452.563 2.765 30 10 JFEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705734118 DHDQKEYLYRRYOY-UHFFFAOYSA-N 464.545 2.963 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1705883441 IGWJWJMMSMMYST-INIZCTEOSA-N 474.512 2.738 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1705909818 IWTISWBBQCLBMM-UHFFFAOYSA-N 477.613 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705930557 PZFAKJJTJHKICF-LJQANCHMSA-N 491.633 2.813 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705933600 MRBZOWWWZUWXOX-GDBMZVCRSA-N 472.970 2.579 30 10 JFEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1 1705941904 AFXXXYRRKJGZQQ-UHFFFAOYSA-N 463.448 2.923 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1706189052 GFIXHGSOMFTQHE-GTOJURISSA-N 474.606 2.667 30 10 JFEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1)N1CCOCC1 1706263654 DFLDWOPLMJBMEK-FQEVSTJZSA-N 460.529 2.931 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(Oc2ccccc2)nc1 1706848642 GNQUNISFDMONRN-IAGOWNOFSA-N 469.571 2.862 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1722308036 DOWOFIXSIJYTKQ-LJQANCHMSA-N 476.622 2.543 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722350144 NRNIEGZGDBSSDB-MBSDFSHPSA-N 457.648 2.818 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1722373750 MCKFHNDHOPCJCS-HHHXNRCGSA-N 475.593 2.562 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCN1CCCO 1722376969 KEWRKXOBIFPLKU-IBGZPJMESA-N 486.414 2.636 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCOC[C@H]1CCOC1 1722384468 WGZUWCHBJDOPPQ-FGZHOGPDSA-N 485.629 2.909 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC(F)F)c1 1722401466 YRXPGVPNSXQZQI-UHFFFAOYSA-N 457.481 2.522 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(N2CCCCC2)c1 1722402936 IIWWOGURGOVXCM-UPVQGACJSA-N 462.598 2.899 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)CCC)CC1 1722437383 SJCVVRRTPKKVRN-VWLOTQADSA-N 474.650 2.699 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1722445982 ICKXPXWMQQZDBA-OAQYLSRUSA-N 458.570 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nc(C(C)(C)C)cs2)CC1 1722448197 VNFFTOPVFGGTDS-GOSISDBHSA-N 470.643 2.745 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722487425 QFSNIGIMGUGLRM-UHFFFAOYSA-N 474.450 2.946 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCCS(C)(=O)=O 1722497537 XKLBEEPQJZVMLO-PXNSSMCTSA-N 462.572 2.526 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1722503230 WBNCUPQEGUAHSV-WEMPKCCASA-N 487.567 2.984 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 1722523907 AORKJEQJVSTRTQ-DLBZAZTESA-N 458.567 2.633 30 10 JFEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722526670 ZMZJCQWDNYTHMR-FGTMMUONSA-N 493.655 2.633 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722537152 LHKQOBXINYYACW-VAMGGRTRSA-N 488.633 2.700 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722619373 AHFDGCLPYIGSLN-IBGZPJMESA-N 459.595 2.836 30 10 JFEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722629329 JFSKVHZNZGTQOZ-QHCPKHFHSA-N 450.587 2.959 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1722675512 NVBGFFUDHLZWKX-UHFFFAOYSA-N 470.574 2.821 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722735837 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C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705722719 WQZMLIJCSNIGTP-NRFANRHFSA-N 485.614 2.566 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705723375 OIKDUVOJUXSQHU-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705731661 ZVQAHMWCEHHLKA-WMZOPIPTSA-N 452.552 2.773 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC(C)CC1 1705883472 JKBOBMNZKOHYKS-FQEVSTJZSA-N 479.629 2.951 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCc2cccc(Br)c2C1 1705899707 DDJAEXKLEYFCQB-UHFFFAOYSA-N 455.360 2.911 30 10 JFEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722346716 VYGOPPSFIXRXMX-YSIASYRMSA-N 482.541 2.947 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722368520 RPNPKBQZIHIHFC-DFQSSKMNSA-N 491.658 2.818 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722372324 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453.543 2.706 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1OC 1722664183 RXSGTHUUEALOHI-SXLOBPIMSA-N 495.671 2.680 30 10 JFEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1722681202 JQBXNLSJTKSBGJ-OAHLLOKOSA-N 451.930 2.943 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CCCO1 1722681689 QEMRBNLOXQOJCH-WZONZLPQSA-N 465.595 2.794 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cnn(C)c1 1722695393 BJIHGORHVHDFCJ-UHFFFAOYSA-N 462.327 2.519 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722696338 JJZNVOWYJUGITB-INIZCTEOSA-N 489.418 2.752 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722706835 ZGTAEGHSRVRBNC-UHFFFAOYSA-N 485.589 2.698 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722720883 CAIYMUBQLNMXLF-IBGZPJMESA-N 492.667 2.600 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1722727271 HGPFQVJDXSWNQQ-MJGOQNOKSA-N 464.588 2.854 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1722731874 NJTQDYNOBXQXAU-LJQANCHMSA-N 489.642 2.898 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 1722736636 DBTLBMHTYCTLMN-ROUUACIJSA-N 483.635 2.566 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1722737099 SRWHACFYVXGHOL-KBAYOESNSA-N 452.602 2.758 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)C1 1722828337 CDCWMFQMCUHVHT-NRFANRHFSA-N 463.586 2.572 30 10 JFEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1723489698 HCLYBSBEHCKSEF-OAQYLSRUSA-N 457.600 2.893 30 10 JFEE Cc1cnc([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)s1 1724990976 AUEGVEYHJNFYFM-HOCLYGCPSA-N 473.628 2.965 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC(F)(F)F)cc2)CCOC1 1728815459 FKZGKPGFURUQLA-XLIONFOSSA-N 467.448 2.606 30 10 JFEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)c(OC)n1 1730154154 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JFEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286601624 WQOKPEUHJXOZAX-UHFFFAOYSA-N 489.020 2.759 30 10 JFEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286624206 WINLJPIAVWUJOT-IAQYHMDHSA-N 473.730 2.959 30 10 JFEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OCCN(C)C)cc2)CC1 1286648258 NDEIBNUHBPJQIN-UHFFFAOYSA-N 452.603 2.740 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286682655 BPYBAKPYUHBNLW-GOSISDBHSA-N 492.621 2.736 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 1286779362 ISCWSCLWCPZPRS-QGZVFWFLSA-N 472.565 2.600 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](CCC)C1 1286792280 SXERNWCJXDAXPY-SFHVURJKSA-N 478.391 2.927 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1286831363 CWTIXVKDSXHAJT-QGZVFWFLSA-N 471.674 2.537 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1288192788 CXYNKWXNGOESQC-UHFFFAOYSA-N 467.618 2.526 30 10 JFEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@@H](C)CC#N)n3CC3(O)CCS(=O)(=O)CC3)cc2C1 1291062531 ATHFQFKCGDNOSB-HOTGVXAUSA-N 477.656 2.809 30 10 JFEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1(C)C 1291154855 GWJWQRKZYSCXCJ-KRWDZBQOSA-N 483.598 2.797 30 10 JFEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC1 1296287611 BMVZWJPGUJGNOT-UHFFFAOYSA-N 470.002 2.838 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNc2nccc(C(F)(F)F)n2)CCOC1 1296597500 HHORIPANAVSYPH-NRFANRHFSA-N 494.522 2.981 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)c1 1300331146 GKYAWIZHCDSJID-AREMUKBSSA-N 488.548 2.888 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C2CC2)N(C)C)c1 1300334514 NWVPLBWONRIGRL-QHCPKHFHSA-N 457.582 2.660 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(CC)C(=O)OC(C)(C)C 1300441337 LEVYBNIYSUYHEZ-UHFFFAOYSA-N 461.588 2.675 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1300521380 WLWKYQORNALOSP-UHFFFAOYSA-N 482.548 2.838 30 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C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359219236 KHFKJZUVJBWWTJ-UHFFFAOYSA-N 457.604 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359333788 JYMDIJWRXZAYBX-UHFFFAOYSA-N 493.605 2.523 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359336493 RPXPWRRBQIFWET-HXUWFJFHSA-N 488.614 2.521 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1360264928 CYRBAMWBSBPVFA-UHFFFAOYSA-N 450.522 2.525 30 10 JFEE C[C@@H]1CCN(C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)C[C@@H]1NC(=O)C(F)(F)F 1440199249 HVAPXVTZNHZKAW-SKDRFNHKSA-N 467.345 2.954 30 10 JFEE C=CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)C(=O)OCC 1466783427 MWYZBXCNEDHGJP-YADHBBJMSA-N 456.564 2.735 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCNc1ncc(Cl)cc1Cl 1497086031 ICWRFWQHVFSNBD-OAHLLOKOSA-N 481.388 2.739 30 10 JFEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1503583790 BCUXHURZDCSEGP-QGZVFWFLSA-N 456.597 2.777 30 10 JFEE 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453.996 2.990 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1508080470 PBWCTOWPLILCBM-UHFFFAOYSA-N 479.560 2.556 30 10 JFEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508109367 QRGAZWDEEYDFPB-HXUWFJFHSA-N 494.621 2.988 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1508142990 IFWMHLNDGQSCIO-FQEVSTJZSA-N 462.616 2.936 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1508143485 ZMHBHNHRNOISLS-MDNUFGMLSA-N 487.670 2.872 30 10 JFEE C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508170070 OFFYXCOXHHKYIK-DJXJZGAZSA-N 489.580 2.580 30 10 JFEE CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccc(C#N)c2)n1CCc1n[nH]c(C)n1 1508405103 GGBKHKXUMDWBQY-UHFFFAOYSA-N 489.609 2.999 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1516585755 IBMKOFYUUYDLCG-CJFMBICVSA-N 466.634 2.918 30 10 JFEE CN1CC[C@@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1517410304 BBFHLZHHCBZGPP-NRFANRHFSA-N 470.375 2.610 30 10 JFEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1518354492 BNVMHIDSUAPPTC-MAUKXSAKSA-N 452.481 2.955 30 10 JFEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1519806986 AHPZOWRKTWKTFP-MRXNPFEDSA-N 468.562 2.736 30 10 JFEE C#CCCN(CCOC)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 1529946956 UWGUQFLPIYUPGR-UHFFFAOYSA-N 456.564 2.949 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1538983405 RCEPUJOVLAYFBN-GBESFXJTSA-N 459.616 2.859 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539211428 LONBKJCVYPHPMU-DHIUTWEWSA-N 482.654 2.810 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1539212308 UOQUUWOSFIFNGJ-KRWDZBQOSA-N 489.960 2.838 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1539219870 NRAHIFOSLZPYSG-HXUWFJFHSA-N 469.636 2.812 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1539224432 GYIPYTYPMOYNJQ-SFHVURJKSA-N 470.624 2.519 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1nnc(C)s1 1539396792 QREBPNHIABJVDC-UHFFFAOYSA-N 453.572 2.636 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCNC(=O)C2CCC2)CC1 1539438022 KZTYOEXTMDPAGK-UHFFFAOYSA-N 485.430 2.769 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 1539453646 NYZLGOLPJXOJEU-UHFFFAOYSA-N 456.472 2.808 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1539453782 RHGWPIHMSFBRBU-UHFFFAOYSA-N 452.994 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)SC)CC1 1539474522 SCMQQWLRDIDAFV-UHFFFAOYSA-N 455.584 2.781 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1539488062 FWAUDTWKQKARCA-UHFFFAOYSA-N 456.550 2.932 30 10 JFEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539525390 YWEAQKZHIHABPZ-UHFFFAOYSA-N 453.678 2.628 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC)C1 1539620102 JGGJICGQFTYKFC-ZVZYQTTQSA-N 466.380 2.869 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCCC1 1539658840 CKRYTTFOROGMSL-UHFFFAOYSA-N 470.603 2.681 30 10 JFEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1539744061 CMDCEOMQSJKPSP-LJQANCHMSA-N 465.602 2.798 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1539783525 XQEIOXKCFSFOLC-PXNSSMCTSA-N 480.034 2.648 30 10 JFEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539999706 OEENHWCWPMLKHX-SFHVURJKSA-N 499.641 2.501 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1540858513 ZTBBNPSTOUKLDD-PKOBYXMFSA-N 457.579 2.575 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1540872253 IAVYRDIAZOPHTE-UHFFFAOYSA-N 457.485 2.525 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)s1 1542716800 GVUGZVLIHKIKMQ-NRFANRHFSA-N 459.593 2.729 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cccn1 1545931961 BUVXXAXMWXJLCM-JOCHJYFZSA-N 476.585 2.933 30 10 JFEE Cc1nn(C)c(C)c1C(=O)N1C[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@]2(CO)C1 1548366382 HTIZKPOGYBDDBK-VGSWGCGISA-N 461.488 2.888 30 10 JFEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 1554351025 DCVHTSOFYULWPZ-SFHVURJKSA-N 477.573 2.735 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 1556053448 VMOFRHSPQQGQSS-IBGZPJMESA-N 452.479 2.966 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@H](C)N(C(=O)OC(C)(C)C)CC[C@H]2C)c1 1556509442 HDFPEDOWYHLEBS-JTDSTZFVSA-N 451.589 2.915 30 10 JFEE C=CC1(CC(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1558633094 SAEKFQIOQHIKAR-QHCPKHFHSA-N 453.580 2.678 30 10 JFEE CC(C)(C)OC(=O)NCC1(O)CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 1559923527 CFRBQDOKMLZNTG-QGZVFWFLSA-N 451.527 2.575 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1566544420 ZANWGIAPNOFERM-ZDUSSCGKSA-N 451.998 2.521 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1587562977 VWQAAWDEUFZTQM-JAZQRGJZSA-N 461.607 2.963 30 10 JFEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1587842907 WZVALJAFBMRUES-FQEVSTJZSA-N 498.653 2.727 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCN(C(=O)OC)CC1 1588629131 YSCSQGQEYSMTOC-UHFFFAOYSA-N 477.569 2.695 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1588864940 MKNKANUNNMTGIG-XMMPIXPASA-N 480.657 2.730 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc(Br)ccc2OC)CC1 1588947924 YZNOYUHBMIQMKW-UHFFFAOYSA-N 460.376 2.626 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCCO2)CC1 1588968348 JARGNNVNMHEWAQ-LJQANCHMSA-N 469.611 2.724 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1 1589484167 RNGUHAAFBYWYQD-TZIWHRDSSA-N 466.586 2.830 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1589568548 KQDHGAGTMLJJRR-YKSBVNFPSA-N 464.570 2.815 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1593711493 DPJBWXNNCIMTLL-SFTDATJTSA-N 489.642 2.651 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1593729388 KMFPIUPBDSMTGB-UHFFFAOYSA-N 483.661 2.693 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2F)CC1 1594241533 UCZPJJPBCXCUSJ-DYESRHJHSA-N 493.605 2.620 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1594962151 IZXOJCAAOIQVBQ-GOSISDBHSA-N 475.594 2.562 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1 1595244299 YVTAGCKRVOWPGE-HXUWFJFHSA-N 472.567 2.592 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1595261233 PGPNFUGRCDTXAA-LJQANCHMSA-N 489.642 2.657 30 10 JFEE CC(C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1598235272 DJUUFJWCGBPART-RUZDIDTESA-N 479.560 2.996 30 10 JFEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 1607436167 FTNMTLFALLTPLG-QHCPKHFHSA-N 457.534 2.718 30 10 JFEE CC(C)N1CCC(O)(Cn2c(COc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1 1608066709 BWJHIPBVQJUKSX-UHFFFAOYSA-N 456.566 2.971 30 10 JFEE CC[C@@H](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1613126490 DCDWOQPSSMTLQN-GCJKJVERSA-N 483.592 2.913 30 10 JFEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1616044020 CCTGKSSODSMMAZ-UHFFFAOYSA-N 467.618 2.622 30 10 JFEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1CN1CCC[C@H]1CO 1616838913 GQBVQYPRGZOJRL-WIOPSUGQSA-N 452.603 2.950 30 10 JFEE CN(C)CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)cc1 1617692760 AHWZBNQEIXEDCU-UHFFFAOYSA-N 474.569 2.654 30 10 JFEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)c1 1621897292 BEZCJSVFRCXSNS-HNNXBMFYSA-N 456.268 2.683 30 10 JFEE N#Cc1cn(CC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c(=O)nc1O 1622438091 GBHBCYGLEYDBHQ-GOSISDBHSA-N 457.259 2.628 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)s1 1634814174 LWRQYMZFVAKFIG-HZPDHXFCSA-N 471.645 2.764 30 10 JFEE C#C[C@H](NC(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1)c1ccc(Br)cc1 1636562524 MMRFSBBTLZORPY-OQRWROFFSA-N 455.374 2.609 30 10 JFEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)COC)CC2)s1 1649604005 GLWSHXAENVYMJM-UHFFFAOYSA-N 479.610 2.810 30 10 JFEE C=CCNC(=O)c1ccc(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)cc1 1666222846 XLZNEGITFAJTAK-UHFFFAOYSA-N 450.948 2.664 30 10 JFEE C#CCN(C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)[C@@H]1CCS(=O)(=O)C1 1685375894 BGAGRPRDYDHMCD-GOSISDBHSA-N 458.490 2.611 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC[S@](=O)C(C)(C)C)c1 1689870149 CYPDXPFWQOVXTI-XIFFEERXSA-N 466.611 2.887 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1689893569 ZYLGOCVDKIBLBU-RTWAWAEBSA-N 488.633 2.743 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)Cc1ccccc1 1689978250 QGGKCLPTFZNISS-BGYRXZFFSA-N 487.626 2.733 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1689994078 QPVUKVSRVLEQBV-NHCUHLMSSA-N 458.653 2.976 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1689994237 USZJDESVJHWJMM-FQEVSTJZSA-N 490.699 2.525 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690112238 SBOUFUWXVSFUSW-XLIONFOSSA-N 471.005 2.741 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690132247 MUWVBZYIDLUYJE-OYRHEFFESA-N 497.713 2.781 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1690148703 QKOMYGRJHHYXAV-RUZDIDTESA-N 481.597 2.943 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1690150303 BXNZIPNGHONXPC-RBBKRZOGSA-N 479.625 2.853 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cnccn1 1690157741 OCCWCZGWKYLJQS-UHFFFAOYSA-N 460.405 2.881 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690177384 TVSRHECTAOMJFF-UHFFFAOYSA-N 484.645 2.509 30 10 JFEE C#CCSCCn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186214 MXWQPBVEZXUDRZ-AQNXPRMDSA-N 492.690 2.572 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1690310321 ZYTUCEJEJPEZPI-HSALFYBXSA-N 488.633 2.952 30 10 JFEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1690507093 CVYZFNHGIYCCJI-UHFFFAOYSA-N 493.612 2.715 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1690604631 YBVOKDSQBHPIDJ-QFIPXVFZSA-N 453.587 2.656 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(N)=O)c1 1690611642 UHAUKIDRAUEBQZ-UHFFFAOYSA-N 459.348 2.822 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1690662953 GZBCKJMMUWLIAT-UHFFFAOYSA-N 452.603 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1cccc(O)c1 1690723198 LAHIEHAOQLTEEK-OAHLLOKOSA-N 473.555 2.510 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690733952 RNODLBMEGXJENA-HNNXBMFYSA-N 469.537 2.917 30 10 JFEE Cc1cnn([C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCCC(=O)N(C)C)C2)c1 1693301993 HEJXMHUHYYDHKG-NRFANRHFSA-N 476.585 2.944 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1696492742 DQIRPJJJFJNTJF-NRFANRHFSA-N 499.685 2.845 30 10 JFEE COc1ccc(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N(C)[C@@H](C)CC#N)CCC2)cc1 1697332765 BZVGXTCLXLJZNT-IRXDYDNUSA-N 460.604 2.757 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCCC1 1705491486 DCKKZEZALCMRAU-KRWDZBQOSA-N 458.607 2.896 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC(F)(F)CO1 1705501353 YHCBVHSRBKPKFS-CTNGQTDRSA-N 458.557 2.525 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1705565964 LBSHLVAEJRBMAE-PKTZIBPZSA-N 486.638 2.774 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1705569040 YMDQYPSQWMBQHK-RDPSFJRHSA-N 474.627 2.652 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705570448 NWVZEVCRVDGSJU-IEBWSBKVSA-N 465.044 2.902 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC12CCOCC2 1705572449 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1359075797 GJBHKHMGTCQHGG-UHFFFAOYSA-N 473.375 2.584 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359090291 YJEFVMPGSAAZHF-GUDVDZBRSA-N 474.606 2.599 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1359113378 HFNOELMIOAGLQI-IBGZPJMESA-N 474.631 2.530 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1359125821 USVURKQTOKBUCB-LJQANCHMSA-N 455.559 2.773 30 10 JFEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359216997 KSPKXWWSONWASK-FQEVSTJZSA-N 458.513 2.880 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1359272011 IYUFOCQGIISQQX-LJQANCHMSA-N 477.656 2.868 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359304614 CSHWXUOIOHLEMR-IBGZPJMESA-N 469.586 2.689 30 10 JFEE C=CCNC(=O)Cn1c(N2CCCC[C@H](SCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359305786 MTCNRMFLIZRUKE-PGRDOPGGSA-N 451.637 2.733 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359329751 SPENHWQUAWOBTM-INIZCTEOSA-N 497.021 2.698 30 10 JFEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359342185 QYCSMDKVSKVISU-ROUUACIJSA-N 499.703 2.935 30 10 JFEE C[C@H]1COCCN1CCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C#N 1359476624 HWPDRGUXXHBOOI-IRXDYDNUSA-N 477.407 2.936 30 10 JFEE Cc1ccc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCC(=O)N(C)C)o1 1361217139 GLJQRANLVFUQAS-UHFFFAOYSA-N 461.570 2.909 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)cc1 1444472306 PQLRNVIHDAQSIM-UHFFFAOYSA-N 459.549 2.557 30 10 JFEE C=CCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1447809133 LIWRZHIJFGRWSI-UHFFFAOYSA-N 454.552 2.933 30 10 JFEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(C(F)(F)F)cc1 1466282081 ZVZQSMBUGKLCDL-JQHSSLGASA-N 458.502 2.865 30 10 JFEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C(C)C 1467660464 PXGFFOHUBDSUSD-RPWUZVMVSA-N 453.631 2.818 30 10 JFEE C=C(C)C[C@@H](CO)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC 1471536491 XLHYVJRHHKIXOC-SFHVURJKSA-N 453.564 2.989 30 10 JFEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](COc2ccccc2F)c2ccccc2)c1 1472533470 FRNHKHZHEHEVNZ-OAQYLSRUSA-N 453.495 2.912 30 10 JFEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1)c1ccc(Br)cc1 1475334170 HOMYCJJMLNDUKP-QGZVFWFLSA-N 451.342 2.812 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1500000210 BGRQRXHDIKUSSX-OTWHNJEPSA-N 489.621 2.631 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CC1 1501901010 AMAKQCROLSMIIL-UHFFFAOYSA-N 492.672 2.682 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)c1cccs1 1507522439 VTGWKRRZRHLGKN-OAHLLOKOSA-N 469.567 2.920 30 10 JFEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1507561276 TVXMGNAPANIWKO-UHFFFAOYSA-N 468.009 2.810 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1507572610 PQRQJENFGGEOOJ-UHFFFAOYSA-N 450.934 2.714 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1507610203 JLLFRBWOECWYGC-PXNSSMCTSA-N 477.573 2.636 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1507628039 MUPCMRUDQHTTHG-FQEVSTJZSA-N 468.579 2.749 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507640766 VQEGTBULNMMOEX-UXHICEINSA-N 458.632 2.593 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCCN1CCOCC1 1507643920 WJJYPSWYEZWSON-UHFFFAOYSA-N 456.388 2.893 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507706870 QIPMWZKQUKSNFE-INIZCTEOSA-N 466.464 2.824 30 10 JFEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507833888 LYYUDFJASXNHBQ-MRXNPFEDSA-N 456.938 2.619 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1507835968 SBUAWLZMNKDWLY-UHFFFAOYSA-N 489.580 2.871 30 10 JFEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1507844331 IEHNBKUOVREQOI-IBGZPJMESA-N 459.978 2.991 30 10 JFEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507870099 DLGRSMIPZJSWNC-GOSISDBHSA-N 458.994 2.707 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC[C@H]2CCOC2)CC1 1507877278 GJOBMLLJJMSQHZ-LJQANCHMSA-N 460.600 2.948 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1)c1ccccc1 1507921781 YGZKNDRXWLLESV-NRFANRHFSA-N 450.587 2.966 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1508072851 KXUZCPBLOVYGOY-SFHVURJKSA-N 456.616 2.683 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@@H]1C 1508085090 FJKCQFVVESAZCD-MSOLQXFVSA-N 463.586 2.992 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)cc1 1508096474 HASUGGPWYVCCAS-LJQANCHMSA-N 488.658 2.566 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2CC)cc1 1508100977 RZNKIXNODBWKDF-FPOVZHCZSA-N 475.615 2.603 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)C1 1508109316 QHAGXZIJLALIFN-PKTZIBPZSA-N 482.629 2.580 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)c1ccco1 1508134524 GDQUSEUCRDXNIG-MRXNPFEDSA-N 478.596 2.740 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 1508423173 FPKIWBFPNZXYKO-UKRRQHHQSA-N 457.478 2.723 30 10 JFEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1 1509735089 DAIPJJCECZNJSS-UHFFFAOYSA-N 451.575 2.617 30 10 JFEE C[C@@H]1C[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)CCO1 1512008565 GWEGIDUIDCQYQP-HLIPFELVSA-N 472.615 2.744 30 10 JFEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1516087507 FLGUKYGULVXZOY-HXUWFJFHSA-N 479.629 2.765 30 10 JFEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)C[C@@H]1C 1519229150 HEXQLTPIENDLEH-NRFANRHFSA-N 462.602 2.877 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCN1CCN(C(C)=O)CC1 1539026783 ZYTPXJADYVTRHW-FQEVSTJZSA-N 487.048 2.874 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1539225260 MJAPTJIFEXZXRS-RBUKOAKNSA-N 463.554 2.716 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539230426 HMYUINBCKLAAFT-RTWAWAEBSA-N 487.695 2.990 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)CC=C 1539305149 RDKXCJNKLHBUJN-UHFFFAOYSA-N 491.411 2.780 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1539407760 OAUFDKAKDYPDNE-DEOSSOPVSA-N 464.614 2.880 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539441837 WPRNQFHQJUCZKG-QHCPKHFHSA-N 494.640 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCN(C)CCOC)CC1 1539469592 CWLICXDZSCXFAA-LJQANCHMSA-N 498.697 2.675 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(Cn3ccnc3)c2)CC1 1539483228 TZEJWBAXFDHKII-UHFFFAOYSA-N 459.598 2.736 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1539613117 VQKUKNJVVPHQKP-GIVPXCGWSA-N 474.650 2.775 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539706762 SQAXJYDLAGDJEJ-MSOLQXFVSA-N 478.594 2.878 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CCOC)C1 1539779564 BIYCIQMMNZSTRS-MRXNPFEDSA-N 453.996 2.811 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1539824145 NHWPKYRWURFQKX-RWABYOLFSA-N 495.068 2.572 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1539847565 HOWMSBQSOKYDSV-QGZVFWFLSA-N 453.609 2.594 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1540854921 NSGAOLXKDUGDPN-OAQYLSRUSA-N 489.374 2.717 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540868538 ISRZDNHUAWDBJN-CRAIPNDOSA-N 475.475 2.589 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1540881422 IVXBXQPXTAUPQD-MOPGFXCFSA-N 474.606 2.695 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)N2CCOCC2)C1 1540885304 GELIDACNSAACIN-FQEVSTJZSA-N 471.602 2.854 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540910692 MGFIHSKMMJKVRZ-KRWDZBQOSA-N 451.574 2.786 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1540920087 NTJRSKQMUFQEQC-UHFFFAOYSA-N 484.674 2.868 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)[C@H](C)C1 1540980356 VMAMFNSNYQKWOM-QGZVFWFLSA-N 467.574 2.789 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1541031760 BXMYXNRIXUHOQD-OAQYLSRUSA-N 479.585 2.789 30 10 JFEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](Cc3ccccc3Cl)C(N)=O)CC2=O)cc1Cl 1543830105 CQBSSPSUNRZFRM-CVEARBPZSA-N 459.333 2.678 30 10 JFEE C=CC[C@]1(C(=O)NCc2ccc(S(=O)(=O)NCC)cc2)CCCN1C(=O)OC(C)(C)C 1545441546 QZJAQXDRSPZYDH-JOCHJYFZSA-N 451.589 2.947 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cccn1 1545931962 BUVXXAXMWXJLCM-QFIPXVFZSA-N 476.585 2.933 30 10 JFEE CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1548320236 GVVAAYXXISTWNC-UHFFFAOYSA-N 462.579 2.864 30 10 JFEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ccnn1C)CC2 1548379338 AFXDHRNXRXJGEQ-LJQANCHMSA-N 488.514 2.758 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)c1 1559488562 MGEPKRGJOOBYLN-NRFANRHFSA-N 459.468 2.719 30 10 JFEE COc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1Br 1565698467 FJRLHUDPAWLLHE-NSHDSACASA-N 452.330 2.914 30 10 JFEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)C2)nc1 1583979759 FRSIMEVIAUGCDG-HXUWFJFHSA-N 454.552 2.811 30 10 JFEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)nnc1-c1ccco1 1586230323 IRYSTVUAGVCNBF-IAGOWNOFSA-N 479.628 2.716 30 10 JFEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1587746277 NZEBVKANRHNPFF-UHFFFAOYSA-N 473.419 2.721 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1587809145 ZYUCXKRIPZKJTH-FYSMJZIKSA-N 468.533 2.785 30 10 JFEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1587823487 SEOIQOHFDANLKF-UHFFFAOYSA-N 479.448 2.829 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1588083650 HVMHDUFXDNEJOQ-SLFFLAALSA-N 459.591 2.720 30 10 JFEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1589025993 AGYXXKSUGGJKMH-UHFFFAOYSA-N 453.528 2.843 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1589381797 HUQSFFREMMOQPU-UHFFFAOYSA-N 462.377 2.611 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1589493117 GBPCAYCJWCYEKQ-FIKGOQFSSA-N 468.558 2.518 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1593600562 RJZSCEQLGIPFRA-DENIHFKCSA-N 482.629 2.917 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1593763635 NSXGKWSTJWIFIJ-DEOSSOPVSA-N 474.005 2.831 30 10 JFEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1594726927 HSZGLKQKJDILQS-QGZVFWFLSA-N 466.633 2.762 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2nccs2)C1 1595723594 YPVMBPVMROWGGQ-HZPDHXFCSA-N 469.658 2.600 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)C1 1595729570 NJDMJYBYGLSUKA-ZWKOTPCHSA-N 465.595 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595777097 INDZBDUUNDSKIN-FQEVSTJZSA-N 469.615 2.671 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1595884492 MCEZEVVQLUIELM-GPJFCIFZSA-N 467.705 2.800 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1596848658 ATQGAPQVACPNFI-IRXDYDNUSA-N 480.635 2.913 30 10 JFEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1614142149 BXVSQJWXTGRASL-CTNGQTDRSA-N 465.602 2.660 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCOCC2)cc1OC 1615006000 BGDSYLPUEJTWCU-FQEVSTJZSA-N 484.601 2.582 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1617868502 CUUYJFYZRNCAJS-SFTDATJTSA-N 470.643 2.809 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)s1 1631859063 ZXBUKCFFZTXGDQ-HNNXBMFYSA-N 454.371 2.898 30 10 JFEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1)OC 1649633087 AUQLYKFWXZPUJK-DHIUTWEWSA-N 451.619 2.848 30 10 JFEE COc1ccc([C@@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)N2CCOCC2)cc1OC 1681348706 CSOAMYXTAJJIBO-FGZHOGPDSA-N 450.539 2.935 30 10 JFEE COc1ccc(CN(CCO)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(OC)c1 1681580450 CDHXLASOBVQQGE-UHFFFAOYSA-N 454.527 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cccs1 1690049056 XRJSFNUHLIMVCF-FQEVSTJZSA-N 461.547 2.745 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690112402 XHXQOBZUZAFBOC-CTNGQTDRSA-N 468.577 2.571 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2csc(C)n2)CC1 1690133718 QWRFNUGKQOOIMQ-UHFFFAOYSA-N 452.584 2.629 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCN(CC)C2)CC1 1690138050 QUBNWNISZDQQIT-UXHICEINSA-N 482.604 2.865 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1690190359 SDSMAZSJGNANTG-IFXJQAMLSA-N 455.506 2.948 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N(C)C)CC1 1690224178 FGAYCGKZJNSHNH-UHFFFAOYSA-N 467.799 2.717 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690242713 BMZFMDOQWRGYQU-HXQKEGBBSA-N 460.962 2.940 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(=O)NC 1690311635 PWDXDYLBTMBOEW-UHFFFAOYSA-N 464.611 2.558 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1690577474 HXDNYWDAQOHQEB-CTNGQTDRSA-N 493.699 2.791 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCN(C)C2)C1 1690691887 MZUKDNKJXOAUFB-IIBYNOLFSA-N 480.382 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1690720682 PWXDFCKRGHONJP-NRFANRHFSA-N 455.584 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1690724314 LXALVTMYWFNWME-UHFFFAOYSA-N 458.588 2.753 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCSCC1 1692834345 IDYDZKGSPACPPG-QFBILLFUSA-N 463.007 2.849 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC(C)(C)O1 1693782889 FTOFXICSYVSOCZ-KNQAVFIVSA-N 479.629 2.763 30 10 JFEE CCO[C@@]1(c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CCN(C)C(C)C)CCOC1 1696079248 CBSSROYYCJXSKP-VWLOTQADSA-N 485.608 2.608 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N(C)C1CCCCC1 1698060542 CALPLKOGPHFXJN-QFIPXVFZSA-N 482.585 2.948 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnccc2OC)c1 1705507406 AIIXTYDBBCRGPD-CYFREDJKSA-N 490.564 2.510 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562457 CMAAEIGKMVWQOZ-XLIONFOSSA-N 479.002 2.659 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705568142 IGVXTBBAPBXATI-WATLYSKOSA-N 488.654 2.898 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1705570783 QUVDJGWOHDGWCA-IBGZPJMESA-N 450.605 2.778 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705571820 IZTHGGGITRVIRF-FQEVSTJZSA-N 484.651 2.792 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCc1c(OC)cc(OC)cc1OC 1705598286 GBNCZSRPFWWXCY-IBGZPJMESA-N 452.555 2.904 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1705621980 UBHXKKKZDDPJHU-ZWKOTPCHSA-N 460.538 2.944 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccnc2OCC)CC1 1705646918 TTZHMTRHOUHNFW-UHFFFAOYSA-N 474.565 2.762 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C)cc2OCCOC)CC1 1705647633 JAWMOWDHGVVGSW-UHFFFAOYSA-N 465.598 2.893 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705656313 VGHXJRHVIMDIBC-INIZCTEOSA-N 498.074 2.739 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705686610 FGESHCIFVKROAS-UHFFFAOYSA-N 456.348 2.550 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705765081 XTFOYWOTLTZVIU-GOSISDBHSA-N 491.614 2.551 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705921149 MHHQRCOPLNMFTG-RDJZCZTQSA-N 483.997 2.800 30 10 JFEE COCCN(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1712424296 FEHAQQMWJOHQJL-FQEVSTJZSA-N 475.638 2.711 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1722326301 QAIBMFBTIFYLFZ-GOSISDBHSA-N 451.531 2.817 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1722336090 IZJVQUDEMIYXRE-UHFFFAOYSA-N 475.597 2.960 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1722372368 VFQREBGTYCTACT-JOCHJYFZSA-N 485.654 2.668 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1cc(CO)nn1 1722393217 WNGGRDACSBQLDX-UHFFFAOYSA-N 458.353 2.889 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722423230 YGYVRKCIBVZGOI-QFIPXVFZSA-N 452.578 2.877 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2nc(C)cs2)n1 1722427118 GZRQXURBZIOOJC-UHFFFAOYSA-N 450.572 2.580 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722458238 XQHVBBRSXGGIKV-DLBZAZTESA-N 459.620 2.785 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1722483552 HQZYOJUPWJXADD-QGZVFWFLSA-N 478.366 2.851 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC(N)=O 1722492770 UQGLENIEIORPMR-MDYRTPRTSA-N 474.993 2.543 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1722536843 IEGJNPAMVQRFKZ-UHFFFAOYSA-N 495.550 2.938 30 10 JFEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722738894 CBOPBIBOPBEVJU-FQEVSTJZSA-N 488.589 2.682 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)OC(C)(C)C)[C@@H](C)C1 1722782304 BHLSCUPRVDXJMA-KRWDZBQOSA-N 467.574 2.789 30 10 JFEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)c(=O)n1C 1724360784 DZLGIQDPGLQBGN-QGZVFWFLSA-N 485.514 2.945 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1727927988 GTWYAMOTCXHHBQ-OFNKIYASSA-N 479.629 2.670 30 10 JFEE CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1728601771 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466.007 2.715 30 10 JFEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359228234 XHZJAJJWSGHPSO-SQJMNOBHSA-N 498.647 2.980 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359270165 DPJNHUNPEIBKRA-IHPCNDPISA-N 469.590 2.881 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1359272380 QTELISXXZCHYHE-DLBZAZTESA-N 457.666 2.567 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1359295076 OYPAPONGXNHHQR-UHFFFAOYSA-N 470.643 2.882 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1359333753 IOMSRQFXCGXYTH-OAQYLSRUSA-N 489.548 2.721 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1359333840 LRXKVNJXDFXMDE-XMMPIXPASA-N 467.595 2.617 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359573042 HMMPDKWYJSFJRD-UHFFFAOYSA-N 493.547 2.597 30 10 JFEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 1463095813 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C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690302954 PVVYFFQQCQCKFE-GOSISDBHSA-N 490.511 2.612 30 10 JFEE C=CCn1c(N2CCN(C(=O)c3ccccc3OCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690653128 CYOJHROXGQUYQD-RUZDIDTESA-N 469.586 2.866 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1690659388 RBNUOWSZNCMWLU-PKOBYXMFSA-N 456.978 2.933 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)C(C)C)C1 1690687812 JOHWFFRECYNHOT-MRXNPFEDSA-N 465.396 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1690727030 SGPJDULPHLKWKN-UHFFFAOYSA-N 463.570 2.686 30 10 JFEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)C[C@@H](C)O1 1693845868 CCNZTPLXYYKTGK-CUDBPUKSSA-N 482.629 2.947 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)OC 1693955681 BNPRVSWGZBQKKW-SFYKDHMMSA-N 479.629 2.667 30 10 JFEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1695496115 CALXIIQKVCMEEV-UHFFFAOYSA-N 477.613 2.770 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705580737 QEWKGFJDSZWSNQ-FDDCHVKYSA-N 454.600 2.659 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1N(C)CCCC1(C)C 1705595167 IVIYLLZKJZRHHH-NRFANRHFSA-N 481.670 2.822 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1705611729 OCKAYKKAMJOYAP-UHFFFAOYSA-N 471.565 2.754 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1705626456 XKRNGADENICVKA-DEOSSOPVSA-N 462.598 2.752 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCS2)CC1 1705650916 CJCXCCYHRYJDLJ-GOSISDBHSA-N 457.575 2.858 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705660842 IQSIHCSSTHLOPQ-UHFFFAOYSA-N 481.601 2.890 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705720375 SIVSOTJRAUEOQJ-IBGZPJMESA-N 458.994 2.596 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705725403 XXYFQKUDFFTLIL-WOJBJXKFSA-N 488.633 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C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(OC)nc2OC)CC1 1722430689 IDMWRKHENAGEGJ-GOSISDBHSA-N 480.544 2.773 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CCC)CC1 1722440672 DJTWCZKHYRNECA-CYFREDJKSA-N 460.623 2.656 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1722452001 AKSLWGDVGUEOBS-UHFFFAOYSA-N 470.599 2.792 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1722467001 KBXDFOXMBXTYBM-JBYIUTFZSA-N 476.672 2.779 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCc2cccs2)CC1 1722486879 GCUOSFXOYODWPI-UHFFFAOYSA-N 479.448 2.735 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1722591015 KHRVDXJQPYMPOB-UHFFFAOYSA-N 470.599 2.512 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722706270 PUJXILSYOKFPMK-UHFFFAOYSA-N 470.643 2.922 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1722714050 IJZGAUPNPUHPLZ-IEBWSBKVSA-N 492.466 2.843 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722729996 DSGIEOPVTLSSRH-JOCHJYFZSA-N 495.671 2.512 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CCC)C(=O)C1 1722734403 FVIPRBSEJYBDQQ-UHFFFAOYSA-N 477.656 2.717 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1OC(F)F 1723928375 GZIDTXHJRHTPOE-CQSZACIVSA-N 468.530 2.668 30 10 JFEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1727415642 CNADGRDQVUVZHO-HTAPYJJXSA-N 461.563 2.686 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1728399279 BAHFPJPWRNFMRJ-IFMALSPDSA-N 467.593 2.945 30 10 JFEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740575545 OSQONAJGRNQURV-FQEVSTJZSA-N 468.577 2.875 30 10 JFEE C#CCN(c1nnc([C@@H](C)OCCOC)n1[C@H]1C[C@H](c2cccc(F)c2)C1)[C@H]1CCS(=O)(=O)C1 1740617135 MIXHCOSTGSAKJH-CMCXCUNFSA-N 490.601 2.887 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2nccc(C(F)(F)F)n2)CC1 1740697527 HWJNOWVAJQQSEB-UHFFFAOYSA-N 471.487 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCC[C@H]2C)c1 1760124766 AYMLXTRITAOYPQ-PBXQCXKZSA-N 481.597 2.538 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760184079 VBKSKNDVCMCJQZ-DENIHFKCSA-N 483.638 2.589 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2nc(C)cs2)n1 1760251586 CQTOCOUTFLJSSS-IBGZPJMESA-N 455.588 2.816 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCc1cnn(C)n1 1760289197 KJDQGQFFBVGXPU-XMMPIXPASA-N 465.558 2.724 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1760290406 FBHWFAIFQCVUSG-DNQXCXABSA-N 459.591 2.789 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1760299771 HDUSBHDOXRTDDT-ZDUSSCGKSA-N 468.356 2.540 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314713 RJCHHLHGILKPHE-BBRMVZONSA-N 469.302 2.995 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)N1CCOCC1 1760464562 KGGFGBIRFIJAJF-PMACEKPBSA-N 478.638 2.566 30 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JFEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2CCCSC)c1 729669058 ICDNUMJFKCEGRV-UHFFFAOYSA-N 490.610 2.705 30 10 JFEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1COC[C@@]1(C)C(=O)O 757197825 DYFPQNQPZNUPSP-QHWMMSMNSA-N 476.529 2.913 30 10 JFEE C[C@H](O)[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757403391 UEIXIIUFJGWYJT-ARBPTSGCSA-N 465.506 2.538 30 10 JFEE C=CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757451163 WKADUARGZQIFEE-OAQYLSRUSA-N 450.491 2.518 30 10 JFEE C=CCC1(C(=O)O)CN(C(=O)C[C@@H](O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757505449 LBQAMAAITWMHOK-QGZVFWFLSA-N 464.518 2.765 30 10 JFEE COc1cc(C=NNc2nc(SCC(=O)Nc3cccc(C)c3)n[nH]2)c([N+](=O)[O-])cc1O 1084153320 UXAQAKXWZBIBSC-UHFFFAOYSA-N 457.472 2.912 30 10 JFEE C=CCCSCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1252771550 HARPKXHUYTWWSA-ZACQAIPSSA-N 454.593 2.520 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1286348666 NEMCTXBISLFWLT-UHFFFAOYSA-N 482.610 2.663 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1286388710 AVOIXDVUDARMMQ-NYLDSWQDSA-N 471.627 2.871 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1286400312 BWPFQQCZRXWJPH-YADARESESA-N 468.627 2.967 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1286461425 SMFQBLWPNMCUGR-UYAOXDASSA-N 454.575 2.853 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN(CC)C2CC2)CC1 1286491046 CDNWTLBICCBALH-UHFFFAOYSA-N 469.033 2.972 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1286493022 SFYCMWBALCFSLN-YKSBVNFPSA-N 481.572 2.943 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286524486 IFXRUBSJOSEVSJ-HSZRJFAPSA-N 452.559 2.550 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1286527492 DGQRCHSLANLORM-HSZRJFAPSA-N 456.612 2.889 30 10 JFEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1286542960 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1300990941 NZPRBMGEKRWVAW-FXAWDEMLSA-N 457.531 2.660 30 10 JFEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301241775 WZVGFXPEGRDKJM-UHFFFAOYSA-N 477.525 2.803 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)nc1 1301341995 QPDDBIXMUJITFL-UHFFFAOYSA-N 481.564 2.746 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301481114 IBTDGOQHYHEJII-PKOBYXMFSA-N 487.004 2.965 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C1 1301536672 YRWQVKLFTDWBTN-MRXNPFEDSA-N 480.491 2.788 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCSC1 1301577618 QTLKQYZYRPATAT-HNNXBMFYSA-N 452.602 2.505 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCN2CCCC2)CC1 1301758352 GYGGZLMVORWYAQ-UHFFFAOYSA-N 465.602 2.663 30 10 JFEE CCC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1306583537 DIPLSNABSLTMBB-HXUWFJFHSA-N 474.569 2.939 30 10 JFEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 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C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1359274801 AEBHCCZTLZEXTH-IBGZPJMESA-N 451.552 2.928 30 10 JFEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359285272 UYSRGKCNQJFHGQ-IBGZPJMESA-N 473.419 2.945 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359304473 YWWAMYIHYNALNM-IBGZPJMESA-N 481.626 2.807 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)(F)F)n2)C1 1359324475 LRCWXFDLDGBPQG-MRXNPFEDSA-N 450.465 2.644 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)C(C)(C)C1 1359331055 MAARXVJJEZKRGW-KRWDZBQOSA-N 494.687 2.711 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359336253 JPRQKMXVMMZCRT-QGZVFWFLSA-N 473.599 2.504 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)NC1CCCCC1 1359851868 GMHFSEKZCXUMJR-UHFFFAOYSA-N 464.618 2.909 30 10 JFEE C[C@@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)c1nccs1 1360519049 HJSRHELBNLURFJ-WMZOPIPTSA-N 485.639 2.795 30 10 JFEE 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C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705736536 VWQRZGFWARZIFY-ROUUACIJSA-N 462.595 2.658 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705790257 OLSFBSFZIRPPSZ-UHFFFAOYSA-N 452.563 2.794 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705791565 ZHULNDNZMKLADP-HNNXBMFYSA-N 456.513 2.726 30 10 JFEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705808268 GIFAFXGDOZFZBH-UHFFFAOYSA-N 489.671 2.840 30 10 JFEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705887032 ZRSSRCCUNPQROE-MRXNPFEDSA-N 462.396 2.814 30 10 JFEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709604776 GOQXTJCBOKOWLV-FQEVSTJZSA-N 484.612 2.925 30 10 JFEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C 1710276345 CNTDUERHMPCJKP-HKBOAZHASA-N 451.619 2.846 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1722360612 VMICCSBBZVAMCU-GOSISDBHSA-N 486.579 2.602 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1722364420 ZQMHJXVWCSXVSK-INIZCTEOSA-N 499.406 2.898 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1722365608 NDVKJIOKFHFMBS-IBGZPJMESA-N 462.641 2.764 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCN(CC)CC1 1722395315 YPIOXKGNMORLHF-QFIPXVFZSA-N 470.625 2.824 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1Br 1722427832 OUPNNYRBMAQDQO-HKUYNNGSSA-N 463.376 2.899 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)C(C)C 1722429770 VYFMJKQZSODQRO-YADARESESA-N 463.623 2.886 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(F)c2)CC1 1722448945 IZIPUDXIPOYXOG-UHFFFAOYSA-N 496.612 2.990 30 10 JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1722455004 ICESZMNHNNEFRN-UHFFFAOYSA-N 466.615 2.920 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(Nc3ccccc3Cl)CC2)nnc1[C@@]1(OCC)CCOC1 1722703909 LIYOEIOUDXBARK-XMMPIXPASA-N 489.020 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722730588 WVKRUETXVIXSPB-TZIWHRDSSA-N 460.600 2.772 30 10 JFEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1722743433 YLYGCVQPHGTUOW-GOSISDBHSA-N 450.008 2.951 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1722752139 WUFNAWYDOIBDLC-QHCPKHFHSA-N 478.615 2.959 30 10 JFEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 1726630962 AOKDWEGXWSWWSG-OALUTQOASA-N 458.632 2.806 30 10 JFEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1728396152 DERFJHSBLXOGPH-DEOSSOPVSA-N 465.646 2.974 30 10 JFEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1SCCc2ccccc21 1730763142 CRXBVEWXMPFOKU-FQEVSTJZSA-N 454.600 2.798 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1740550609 DBONPUBPOOMOKK-PCCBWWKXSA-N 474.650 2.697 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740623679 ZGRJVAPJHYGKEW-MZYLBHOOSA-N 485.654 2.667 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740624517 HVZUXEAOMRDVRO-AZUAARDMSA-N 463.003 2.576 30 10 JFEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1740694606 ODTJNXVUJOFSSO-UHFFFAOYSA-N 455.628 2.696 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)CC1 1740694913 XOQRFTQAPOVIKR-JOCHJYFZSA-N 453.587 2.925 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C/C=C\c2ccccc2)CC1 1740701231 ZARDKMCDISVUEC-RAXLEYEMSA-N 462.598 2.876 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1740719225 BVEMFMJNUDTWSX-IBGZPJMESA-N 482.610 2.577 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1740736203 GVBIJPUMYCCKNF-AWEZNQCLSA-N 464.368 2.969 30 10 JFEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1740739071 SXTRSDSYOPDMQC-UHFFFAOYSA-N 478.391 2.841 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(Br)c2C1 1740782807 QZWDDBKZICNVDT-SFHVURJKSA-N 496.431 2.512 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740785712 WTRLHKQPTVLTQW-IBGZPJMESA-N 475.615 2.836 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740791152 VWUWZSLHKVCEHX-UHFFFAOYSA-N 450.518 2.921 30 10 JFEE C=C(Cl)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1740809607 OVUIDCHOVIIVAD-SFHVURJKSA-N 486.020 2.842 30 10 JFEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1740892653 KTMUHUSPGZGYQU-VWLOTQADSA-N 455.603 2.557 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1740940091 SSDBMOYKPZHWCP-MRXNPFEDSA-N 498.447 2.770 30 10 JFEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740944585 RUMVAIUHVQDSFP-UHFFFAOYSA-N 467.574 2.952 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740952656 KEAAQCPQAQZQGT-IBGZPJMESA-N 475.597 2.847 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cccc(Br)c2C1 1740965196 FILBJECZOZNYPP-JXFKEZNVSA-N 490.402 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740987923 OFIZUXLQLGYABC-QFIPXVFZSA-N 490.626 2.959 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1740993642 GLOJWOGBLPFKLJ-LJQANCHMSA-N 472.611 2.738 30 10 JFEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740997902 FHUOHVFUGHBWDE-KRWDZBQOSA-N 451.618 2.770 30 10 JFEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1741003672 ADHRSORMSWPIPD-IBGZPJMESA-N 454.600 2.611 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1741801928 HOHWSIJTVIIRMI-IBGZPJMESA-N 486.580 2.770 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C[C@@H](C(F)(F)F)O1 1743253559 AYQWQYOLNBJFCY-PBHICJAKSA-N 451.449 2.514 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CC1 1746043524 FADBJWBOFMFJAE-UHFFFAOYSA-N 479.629 2.502 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1747425331 FCAUKKPZNJHZQP-IBGZPJMESA-N 498.451 2.837 30 10 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2.905 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccn2)CC1 1749687047 JMEKDRJNTIAALW-UHFFFAOYSA-N 461.570 2.751 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cc2)C1 1749713309 RYPDDIWIICTCLA-APWZRJJASA-N 466.991 2.694 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OCc2ccccc2F)CC1 1749730913 VKEGHFXHFHWHKR-UHFFFAOYSA-N 488.589 2.604 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCN2CCCCCC2=O)c1 1750381005 FTBWADAKYKTJGF-FQEVSTJZSA-N 463.586 2.701 30 10 JFEE C[C@@](O)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1751237062 BIUDAJRGRHUPAZ-OXQOHEQNSA-N 475.322 2.811 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc([C@@H](C)O)cc1 1760110808 SQSZQNGXIOELDF-DLBZAZTESA-N 452.584 2.798 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760184219 HBQHJGBXBHQYIZ-DFYVNMARSA-N 481.043 2.526 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1760192966 PZLSVZLMQNMKQN-SFHVURJKSA-N 490.651 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30 10 JFEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1 1691015603 DJSXNRABRBARDP-ROUUACIJSA-N 458.632 2.949 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cc(CO)nn2)cc1 1691044090 HEWWHZQFSDDEPN-XMMPIXPASA-N 482.564 2.771 30 10 JFEE CC(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1692369428 DSKOGYCDYKBGBU-QUCCMNQESA-N 450.653 2.534 30 10 JFEE C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1 1693650319 DDIKOFYIEBJAOU-KRWDZBQOSA-N 475.519 2.902 30 10 JFEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1694483483 FPAVWEJEGUVGQC-WIYYLYMNSA-N 464.636 2.711 30 10 JFEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1Cl 1696599504 GODABQIOCDZSGT-FXAWDEMLSA-N 477.034 2.876 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(CCN(C)C)CC1 1705476355 YCTYCASBFUCPPS-OAQYLSRUSA-N 465.646 2.879 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1705492841 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C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740583571 SGSVHJXYGVDXIE-INIZCTEOSA-N 485.390 2.847 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740595532 GQPXYPFHLZKASS-UHFFFAOYSA-N 491.423 2.978 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1740616869 ICFVEDVJJNMSJP-WMZOPIPTSA-N 464.563 2.609 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1740677195 RFUCWBOOMSTJQS-PZJWPPBQSA-N 477.531 2.917 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1740678414 BBJWQKOWRNWCLD-HBMCJLEFSA-N 475.590 2.607 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCCSC2)n1 1740688771 JCSWXQSICPHSLN-LJQANCHMSA-N 453.616 2.910 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(Br)s2)CC1 1740696252 PKUBJWRJJAYKED-INIZCTEOSA-N 464.433 2.994 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1740698189 UIMFKSBOOMEEBI-NHCUHLMSSA-N 496.656 2.847 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ncc(CC)s2)CC1 1740699983 BEFAYORYDUPFOB-UHFFFAOYSA-N 452.584 2.688 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740736130 FRYQUUZGNAAETF-UHFFFAOYSA-N 498.385 2.712 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN2CCCO)CC1 1740835561 MSZSXXWPQAHVFA-OAQYLSRUSA-N 473.643 2.598 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1740851816 DTGMRUMNCUVGEG-PGRDOPGGSA-N 454.637 2.936 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H](C)C1 1740940839 URUZPJASULYFFB-MSOLQXFVSA-N 452.559 2.646 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740955640 AVNGOHWQERTXJK-INIZCTEOSA-N 487.402 2.601 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCC2)C1 1740981796 QLBYXFWEERZOLI-OALUTQOASA-N 477.606 2.673 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1740992567 JGFCEKSRUKXVRT-NRFANRHFSA-N 467.595 2.867 30 10 JFEE 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C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN1C(=O)OC(C)(C)C 2282845496 UOBAFPZFMVBOFH-LPHOPBHVSA-N 480.436 2.803 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282865925 AQEVQKOLSXWMLK-BQFCYCMXSA-N 478.420 2.520 30 10 JFEE CC1(C)OB(c2cc(C(=O)N[C@@]3(C)CCN(C(=O)OCc4ccccc4)C3)c(O)cc2O)OC1(C)C 2282991244 CUCPYSDZFJUGHR-SANMLTNESA-N 496.369 2.928 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2283960959 AINGQROHFMOVQJ-WBVHZDCISA-N 480.436 2.936 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2283963218 KOYSYENGLQOPGS-DZGCQCFKSA-N 481.786 2.855 30 10 JFEE Cc1sc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2283968330 DHSMZPMOEWYYPO-HZPDHXFCSA-N 480.436 2.651 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2283968548 FFVZPXQTORKFON-MAUKXSAKSA-N 464.343 2.824 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2283989780 SGHXFXMGQSWDOK-ZIAGYGMSSA-N 481.786 2.591 30 10 JFEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2284058947 PZRQHVPEWHUIKH-INIZCTEOSA-N 484.761 2.898 30 10 JFEE CCCCn1c(N2CCCC2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314460933 ZUIZKEITSMGGIW-UHFFFAOYSA-N 460.581 2.715 30 10 JFEE CCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)cc(Br)c1O 2320974625 LHPTVSRDGDNYQH-UHFFFAOYSA-N 463.155 2.531 30 10 JFEE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323026628 JVWDNDSWGLYEQH-UHFFFAOYSA-N 471.381 2.808 30 10 JFEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1 2331344342 GZCNVHUBRKKDAM-OAQYLSRUSA-N 479.668 2.779 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2337396814 SMWNKPBUZRVMSX-KKUMJFAQSA-N 463.409 2.960 30 10 JFEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2342034207 ROJXRRNSDSSVRO-QPPBQGQZSA-N 476.639 2.999 30 10 JFEE 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]2OCCC[C@@H]21 2359715206 XPMSLTHLOPUMFD-HRTKFXNJSA-N 462.396 2.999 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)C2 2362343806 KPAKLEFZCNILLO-UHFFFAOYSA-N 475.380 2.679 30 10 JFEE Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2CCN(/C=C\C(=O)C(F)(F)F)CC2)c(C)c1 97656513 NALGIANBUWZTDH-TWGQIWQCSA-N 483.487 2.567 30 10 JFEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN(C)C)c1 170109437 JKUPLXGHOGAEJX-FQEVSTJZSA-N 453.451 2.660 30 10 JFEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)Cc1cccc([N+](=O)[O-])c1 580574673 GQJAMGXVBUKEMI-UHFFFAOYSA-N 486.594 2.733 30 10 JFEE O=C(NCCc1ccccc1)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673431 FMOUSKUSCQUSKZ-DVBBPUOESA-N 454.486 2.994 30 10 JFEE N#Cc1cccc(C(=O)N2CCN(CCOC(=O)Cc3ccc(Br)cc3)CC2)c1 586395041 JOSRTCHNVQGYQM-UHFFFAOYSA-N 456.340 2.864 30 10 JFEE C#C[C@@H](CC)NC(=O)c1cc(I)cc(I)c1O 700590258 ZKPMRHHQJJPJKJ-QMMMGPOBSA-N 455.033 2.743 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCC)sc(=Cc3cc(C)c(OC)c(C)c3)c2=O)c1 726582396 IJSFYVFLUHIUIU-UHFFFAOYSA-N 471.582 2.535 30 10 JFEE C[C@@H]1Oc2ccc(-c3csc(=NC[C@@H]4CCCO4)n3N=Cc3cnn(C)c3)cc2NC1=O 727972301 QVBUCEXIVRKOHJ-YOEHRIQHSA-N 452.540 2.631 30 10 JFEE C=CCNC(=S)/C(=C(/O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[n+]1cc(O)ccc1C 920483432 LOLLNTXYPMZOTF-UHFFFAOYSA-O 460.601 2.687 30 10 JFEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(Cl)ccc3O)n2)o1 1084415978 CCSXNRTYPNZSKC-UHFFFAOYSA-N 450.912 2.525 30 10 JFEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2N)c1 1084434810 YZNPJWAHLCFULM-UHFFFAOYSA-N 497.459 2.782 30 10 JFEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1N 1084446448 CHMQNSXWYWMDPM-UHFFFAOYSA-N 454.541 2.787 30 10 JFEE C=CCN(C)CCN(CC)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1156668668 WQYICEZPMBKBSA-SFHVURJKSA-N 459.616 2.557 30 10 JFEE CC[C@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1188506747 CHWKSRJFAITKNI-CQSZACIVSA-N 457.371 2.852 30 10 JFEE CCNC(=O)c1ccc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1222701961 FDMNYGLTJAJHBI-UHFFFAOYSA-N 457.538 2.730 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2CCS(=O)(=O)CC2)c1 1286312691 YMBWBHCLQRFEIU-UHFFFAOYSA-N 483.638 2.892 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286366054 RJQGDCFVDSCUHU-INIZCTEOSA-N 484.651 2.894 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1286382639 BCIMROQYVITOSX-IBGZPJMESA-N 459.616 2.825 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1286385585 OFQFFZKOPOSRSN-SFHVURJKSA-N 472.611 2.909 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1286386461 ABOPHRIEZNUEMJ-IOJLRTSASA-N 472.611 2.786 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387072 ABOSAQWPUOMYSO-QGZVFWFLSA-N 493.427 2.558 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCO[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286398824 QNPIYRCXVCHXIW-ILWGZMRPSA-N 472.611 2.924 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CCO[C@H]2C)CC1 1286475338 XEQNSWFFGRRBGC-BTYIYWSLSA-N 494.821 2.656 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOCC(F)F)CC1 1286489293 NERUSIKYRUXYCF-UHFFFAOYSA-N 466.920 2.631 30 10 JFEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCSCC1 1286507688 CLSXYVRTMBWRCI-UHFFFAOYSA-N 456.685 2.562 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286711953 RQESPJYJGOSPFG-OALUTQOASA-N 476.622 2.652 30 10 JFEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCNS(C)(=O)=O)C1CC1 1286733212 UQUVHBKQMVBALQ-UHFFFAOYSA-N 458.357 2.551 30 10 JFEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CS(C)(=O)=O)cc1 1286756646 RBAZCOBEDWMUBD-UHFFFAOYSA-N 469.567 2.777 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1286778867 FMAHIZBINXQDBK-SJLPKXTDSA-N 473.647 2.864 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286782914 CMGBCJUWBLXLLK-UHFFFAOYSA-N 493.490 2.653 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1286816010 CELKKGZJGCUASR-UHFFFAOYSA-N 459.616 2.710 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C 1286817407 UTRKVPHDHOMLQA-HOTGVXAUSA-N 466.629 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286818498 XJQBJPDCECAPJR-IAGOWNOFSA-N 496.033 2.729 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 1286820444 LQFVOKUIZXJYGK-IBGZPJMESA-N 497.662 2.956 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1286832015 GQRSLEPGYQKCKV-RTBURBONSA-N 489.667 2.589 30 10 JFEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1)C(F)(F)F 1288751036 HKNDXEJGLMDETO-QGZVFWFLSA-N 479.576 2.938 30 10 JFEE CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)c1 1291790657 CIYBRQIRVVAQMY-DYESRHJHSA-N 463.586 2.936 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1291809480 CLYLXUFNMBXPLW-LJQANCHMSA-N 458.570 2.843 30 10 JFEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1297997665 AFUAMAZDCVPZHX-UHFFFAOYSA-N 467.574 2.741 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCN(CCN(C)C)CC1 1300290376 MVMJFTJNOHPVEG-LJQANCHMSA-N 454.619 2.694 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(C)c2)c1 1300331720 PCWSXMYRXYDCAK-UHFFFAOYSA-N 493.369 2.874 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCO[C@@H](C)C2)c1 1300331985 VQFREOCQLSUDIV-ZVOVDXHFSA-N 481.597 2.802 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300498107 GWZHSALSANTAQF-NFBKMPQASA-N 493.633 2.778 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1300613540 JQCCQAHUDNNKDF-UHFFFAOYSA-N 459.597 2.762 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCC(F)(F)F 1300618897 OPZAYCWAGGYDJM-UHFFFAOYSA-N 450.490 2.947 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2CN(C)C(C)C)CC1 1300685462 OLDPRKHBXMIMNM-NDEPHWFRSA-N 494.684 2.962 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@@H]1CCOC1 1300789596 QOSIAHMFNKLBGJ-YADARESESA-N 472.611 2.784 30 10 JFEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300830058 CVTBKSLHCZGDAJ-CYBMUJFWSA-N 454.373 2.552 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCCCC2=O)CC1 1300871241 XSWQPROYQZIOJC-MZKRTTBSSA-N 475.634 2.965 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC(C)C)CC1 1300891757 MPEIRMDHFDZJPC-UPVQGACJSA-N 454.619 2.792 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(=O)NC)c2)CC1 1301091469 FNZRFEXMTGVKAK-UHFFFAOYSA-N 450.568 2.834 30 10 JFEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301207235 RUMJJEGCABEOGS-OAQYLSRUSA-N 475.615 2.551 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1301277838 ASXSSUXXFASINX-UHFFFAOYSA-N 461.588 2.838 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1301502225 DFHFJPOAPQMFKR-AWEZNQCLSA-N 473.446 2.997 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCN2CC)C1 1301557278 OBEUFHPHAHEYBE-HBMCJLEFSA-N 490.649 2.852 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nccc(C(F)F)n2)C1 1301567652 KRUMNFCBZWMVPY-MPGHIAIKSA-N 450.490 2.559 30 10 JFEE C#CC[C@@H](CCOC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1301815205 NFRFVFAFUQJAKH-YTZAWJCFSA-N 450.535 2.819 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)c1 1304181093 ALXDTLBXIHIFPR-JOCHJYFZSA-N 466.586 2.995 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](CO)CC3CCCC3)nnc12 1306833567 OAQIUDRTOGMYAW-QGZVFWFLSA-N 455.584 2.627 30 10 JFEE N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1309460856 BKDVKXXHNWOOME-IFMALSPDSA-N 455.536 2.503 30 10 JFEE CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1cccc(F)c1 1314646392 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C=CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777462 AUOFYGCUFVFETE-KSZLIROESA-N 492.621 2.965 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286783284 JDDQNZRDFSJABZ-GVDBMIGSSA-N 490.402 2.737 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286795620 KUBHQORXJWIQJG-QUCCMNQESA-N 489.642 2.633 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](OC)C(C)C)C1 1286807736 GFNULHQMUKGHIJ-MJGOQNOKSA-N 462.620 2.691 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286818757 NJYGKEDOZYSTCQ-MSOLQXFVSA-N 492.646 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](COc2ccccc2)C1 1286819647 QWFSUVZHQJCDMV-NRFANRHFSA-N 483.594 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccs2)CC1 1286820982 WYSXYXIFKXPORB-UHFFFAOYSA-N 451.662 2.851 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286833367 AFJQDKGVOCQOBZ-HXUWFJFHSA-N 461.705 2.769 30 10 JFEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCS1 1287276759 BNHORGUCSAUOGC-AZUAARDMSA-N 474.656 2.676 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCOC[C@H]1C 1291598283 AEAJBLIMOBUHMN-RBUKOAKNSA-N 455.582 2.850 30 10 JFEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C2CC2)cs1 1298781655 DSYTWJRLOLHFAH-UHFFFAOYSA-N 472.596 2.592 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1300386537 QZZDUCROPQCXLG-UHFFFAOYSA-N 482.386 2.817 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300424243 CYVBTLIFEORFPT-OALUTQOASA-N 499.616 2.530 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300485055 WIKXHBIVSFMVDZ-KBPBESRZSA-N 487.445 2.821 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1300496009 MPYQISDERWSQKJ-PMACEKPBSA-N 464.538 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCCC1 1300559175 LBGFRTOQXZDHJM-RUZDIDTESA-N 455.603 2.574 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1csc(CC)n1 1300665656 MYYMKVPMKWLXCX-UHFFFAOYSA-N 466.615 2.605 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCN2CCCO)CC1 1300708660 XMBOCYVXQZRTCZ-XMMPIXPASA-N 494.684 2.757 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCS2)CC1 1300710496 DBQKPHHECZOEKN-OTWHNJEPSA-N 460.648 2.700 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)N(C)CC)CC1 1300718330 KEURNUXTXJKAEX-UHFFFAOYSA-N 477.396 2.696 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1300751585 MBDOAWYSRZSHTJ-SFHVURJKSA-N 455.584 2.781 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300832110 DDZAZQXTBBSIAN-MRXNPFEDSA-N 450.337 2.583 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1300840260 WKOSRZPLKGBZAI-UHFFFAOYSA-N 473.335 2.822 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC(NS(C)(=O)=O)CC1 1301030586 POUXNSACXPAQSK-UHFFFAOYSA-N 474.812 2.978 30 10 JFEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1301238291 GYXYNIXBZPRDRK-WOJBJXKFSA-N 457.600 2.894 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1301380945 PRBWDMMKSMDJLP-UHFFFAOYSA-N 465.583 2.564 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301568404 GFDAJYKGTCJXLS-AEFFLSMTSA-N 498.447 2.795 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2cncn2)C1 1301618801 ZHVNJNXKAXXSLC-INIZCTEOSA-N 458.617 2.622 30 10 JFEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cnn(C)c2)cc(OC)c1OC 1315296608 DCWLRSZUYYPCAP-QHCPKHFHSA-N 451.531 2.883 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1358919567 FLDYCRJDFXGDME-UHFFFAOYSA-N 486.020 2.905 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1358919717 IRKPIHAYBQYJCW-WOJBJXKFSA-N 457.962 2.659 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](N1CCOCC1)C(F)(F)F 1358981294 DMGIHACEEJGUEY-NRFANRHFSA-N 470.499 2.617 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1359014227 BAGXCLKLIOZBKV-NRFANRHFSA-N 473.666 2.837 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1359031761 OKEKXZVBQCUNAH-UHFFFAOYSA-N 463.586 2.877 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NC)CC1 1359092386 AHQPFKJJUDUXNF-YJBOKZPZSA-N 477.407 2.979 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359094670 DJHCDZZUSMXDES-KNQAVFIVSA-N 489.642 2.843 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359094725 DZGHDNIXTVOZDT-FXAWDEMLSA-N 495.049 2.835 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1359131270 NXJQIGXTYKPYOB-UHFFFAOYSA-N 467.549 2.763 30 10 JFEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359135381 BSCHWSPVJNBAPT-RDGATRHJSA-N 496.656 2.747 30 10 JFEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1359169774 VRSCPVHNCRSVNA-FPOVZHCZSA-N 460.600 2.805 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359187333 JSRRBGNMMHONKZ-OAHLLOKOSA-N 456.513 2.726 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359187709 UVUWKTXJXKDHPE-UHFFFAOYSA-N 465.602 2.522 30 10 JFEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1359206763 OLCRSFWOQFTXAX-SFHVURJKSA-N 482.651 2.788 30 10 JFEE C=CCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359219825 FCHHLKVSWYJVGK-DENIHFKCSA-N 470.593 2.951 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359293445 QDEDBZFRXHVDIE-NRFANRHFSA-N 452.603 2.863 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)=O)CC1 1359311242 VUWZJEQZTKIJRZ-REWPJTCUSA-N 469.586 2.720 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2COCCO2)C1 1359314503 BZWBPQQBVJWEQQ-IAGOWNOFSA-N 479.375 2.913 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(C)CN(C)C2=O)C1 1359317324 GQWANTHLNQMILR-VFNWGFHPSA-N 460.376 2.967 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)NCCC)C1 1359319342 XQRFTXPUNYEGNW-GOSISDBHSA-N 479.585 2.543 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1359320031 KRRLEXIKKDVKQW-YASKCIBGSA-N 491.633 2.714 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C)n2)C1 1359324700 QRKZANDWVGRSPT-IBGZPJMESA-N 452.584 2.997 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359329324 FVWPZQIIWOINJQ-INIZCTEOSA-N 457.522 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](COCC)C1 1359331142 OMHKRPBCALIPOS-SFHVURJKSA-N 457.600 2.900 30 10 JFEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359345296 ATAXLGLZUXXZTG-NRFANRHFSA-N 484.626 2.851 30 10 JFEE CC(C)(Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1359597014 ACOWIKBTLKTHSE-SFHVURJKSA-N 480.573 2.549 30 10 JFEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)CCO1 1359747732 HNVXHAAHQOGXHE-QFIPXVFZSA-N 452.603 2.913 30 10 JFEE CCOC(=O)[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H](O)c1ccc(Cl)cc1 1453805709 BLPSBLDUOQGEQL-DQLDELGASA-N 459.905 2.959 30 10 JFEE C#CCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@H]1CCOc2ccc(Br)cc21 1456451154 STWCFXVWERGEOO-IBGZPJMESA-N 452.312 2.953 30 10 JFEE C=CCOCCCNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 1461628256 GQRXGVLUPUOWIL-IBGZPJMESA-N 458.584 2.822 30 10 JFEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CCN1CCOC 1500249172 HQZBTMYDWCXFCG-VTLMBFNKSA-N 470.643 2.665 30 10 JFEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1500780836 COIORTDVXDWKCK-JOCHJYFZSA-N 485.658 2.553 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507521053 JSDDPJRQUSFLPS-INIZCTEOSA-N 471.558 2.714 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCc2noc(CC)n2)c1 1507550355 YJJVNOOEWCVHBB-UHFFFAOYSA-N 470.537 2.893 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1507731789 OZJOWFGLRNDMMI-FQEVSTJZSA-N 460.623 2.574 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CCOC)CC1 1507884590 KDGRNDZZOQYLBQ-WZONZLPQSA-N 465.595 2.530 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507884934 NYKRLWBRUUQURW-ROUUACIJSA-N 465.620 2.736 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507900765 UJPSVSUYFHWFLD-GOSISDBHSA-N 475.615 2.646 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1508013912 SAWQGYUEHPAGRM-RBBKRZOGSA-N 451.619 2.793 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cccs1 1508042170 ZTJBVZVNWADGAT-XMMPIXPASA-N 480.594 2.800 30 10 JFEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC(=O)N(C)C)CC2)cc1 1508102965 AFHVQLQLPYYPPQ-UHFFFAOYSA-N 480.613 2.708 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1508145006 VXSULMRKROIZJD-UHFFFAOYSA-N 474.562 2.684 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1508146260 WCTWLVUWDLOOEN-UHFFFAOYSA-N 472.615 2.854 30 10 JFEE CC1(C)CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1510301789 AJCIABRCPWXPHZ-RDPSFJRHSA-N 487.626 2.683 30 10 JFEE C=CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 1525527991 TVPHQCIHCUDNRS-UHFFFAOYSA-N 450.944 2.856 30 10 JFEE C[C@H](C#N)Oc1ccccc1NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1526685618 ARXCOGRJMKFPRE-OAHLLOKOSA-N 451.545 2.730 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2csc([C@@H](C)OC)n2)c1 1539040101 MFLLPEKOGCXASJ-MRXNPFEDSA-N 490.593 2.947 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1539212334 VAVUBXMXJVSDHU-HFMPRLQTSA-N 467.595 2.791 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1539469652 SXKWFJMHKWIGEI-JXFKEZNVSA-N 491.514 2.947 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1539470019 IFVGAVHVFBPTBV-AZUAARDMSA-N 481.597 2.601 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCCCCC2)CC1 1539474038 HWSITHMVHRWYCF-UHFFFAOYSA-N 494.640 2.804 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)c2cccs2)CC1 1539488843 OONSKOHMRSWFBQ-SANMLTNESA-N 493.633 2.835 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1539489755 XCAACYFSQOZSQV-HXUWFJFHSA-N 482.604 2.694 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@@H]1C 1539518374 ZFOINIAHRRCRMR-IRXDYDNUSA-N 467.661 2.895 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1539556691 GVYJNKFFENFMBW-SHVMMJTCSA-N 491.658 2.880 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1539641568 GAZBHZFGXSPJHV-NFBKMPQASA-N 468.602 2.732 30 10 JFEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539811370 DAODKTFVGHHJCZ-FQEVSTJZSA-N 459.978 2.652 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540133360 HSJJLMAYIXOLHP-JOCHJYFZSA-N 466.611 2.738 30 10 JFEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1CCN(C(=O)OC)CC1 1548162644 CDRPWRPDPXRHKL-UHFFFAOYSA-N 495.628 2.877 30 10 JFEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)CCn1cccn1)CC2 1548378021 MQMCUJXYDDFJSZ-HXUWFJFHSA-N 488.514 2.655 30 10 JFEE CNC(=O)N1C[C@@H](C(=O)N(C)C)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548397126 VFRJBDQZZZMDGR-ZWKOTPCHSA-N 451.493 2.769 30 10 JFEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1555824411 DFTGFGOKUIHMJL-LJQANCHMSA-N 454.600 2.786 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1587667692 KURQVBCXJMTZTR-GOSISDBHSA-N 474.627 2.552 30 10 JFEE C#CC[C@@]1(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1587838591 OXRBKJGFYUOKCW-VWLOTQADSA-N 454.571 2.562 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C 1588006734 PMLDRFRAQTXDMA-HHHXNRCGSA-N 476.625 2.830 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1588040764 QFJLEAHNVKKTBO-CUYAVPTFSA-N 478.018 2.825 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588045713 PEJTVQMWOOHXRS-NHCUHLMSSA-N 470.643 2.621 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588069369 MKTQIBVEJZQRRY-FIXSFTCYSA-N 470.639 2.751 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1nc2cccc(Cl)c2n1C 1588079215 SPVSDYPIVSVDPD-UHFFFAOYSA-N 451.962 2.858 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)C(C)(C)C 1588099453 NKPQPTIXTLBJPP-UHFFFAOYSA-N 472.387 2.951 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1588975594 HPPPKEXJXXFJHM-QGZVFWFLSA-N 498.634 2.893 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1589171402 DYMHJMOOQJWEAS-OAQYLSRUSA-N 472.387 2.982 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccccc2)C1 1589295170 DKELISYNVQWDIJ-NVXWUHKLSA-N 468.421 2.866 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1589394440 FVWPWAIXNFDZPX-LJQANCHMSA-N 484.402 2.722 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1589544520 IDSKQHPPQDSRBN-RXVVDRJESA-N 458.994 2.965 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCC)CC1 1589559396 QXIMCNWHBXIAPZ-XLIONFOSSA-N 460.604 2.894 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1589626638 ZYYYXSJDRQTNKG-UHFFFAOYSA-N 456.591 2.529 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1589651931 KDYSCFJIEDGODB-RUZDIDTESA-N 463.586 2.946 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1593605497 VMPAYJFKRJEZHK-UHFFFAOYSA-N 456.591 2.529 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1594733237 PIQIMHVPDYKSLU-IPMKNSEASA-N 451.637 2.668 30 10 JFEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1594743939 FTHDJXXXSZVSQA-UHFFFAOYSA-N 452.650 2.850 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(Cc2cscn2)CC1 1595314131 HBERYPALTAGHFR-UHFFFAOYSA-N 457.991 2.826 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595805687 SGWQWVFGCKHYTP-LJQANCHMSA-N 466.570 2.997 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)n1 1618758544 GRORLFAOBTXLMF-UHFFFAOYSA-N 450.564 2.966 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](CO)c2cccc(Br)c2)c1 1621932278 VDKNOPREXJDELT-SFHVURJKSA-N 453.358 2.719 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1 1625602929 ARFYSFWGIYOEBF-OALUTQOASA-N 454.596 2.916 30 10 JFEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccccc1)C1(CO)CCCCC1 1627682827 FRSFNBWSGYKCCE-QFIPXVFZSA-N 455.580 2.916 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 1632560854 IJUCGPVNZXJCBF-MRXNPFEDSA-N 451.365 2.799 30 10 JFEE C#CCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 1642189326 PUUAOJUCQJOYKK-QUCCMNQESA-N 459.955 2.733 30 10 JFEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 1654787155 HLQHOVFJCODJSP-GFCCVEGCSA-N 456.268 2.683 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c1 1662534536 JBHUIUUGPITXEN-APWZRJJASA-N 451.589 2.916 30 10 JFEE C=CCn1cc(CNC(=O)Nc2cc(C(=O)OCC)ccc2I)nn1 1672449776 XJYJWWYADFSPQX-UHFFFAOYSA-N 455.256 2.567 30 10 JFEE C#CCCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689940897 FVPODPFRSZEFGV-DFIYOIEZSA-N 472.634 2.763 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1689996931 RIUMSHWPVOQQBD-GOSISDBHSA-N 464.538 2.838 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1OC)N1CCCC1 1689999835 JKJGVAXFNMQWEV-JOCHJYFZSA-N 483.576 2.844 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(CC)CC)c1 1690190104 LGGFWKSUYVEIPO-YADARESESA-N 472.659 2.771 30 10 JFEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690414845 NFIBSPZERHJXMP-LJQANCHMSA-N 456.616 2.931 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1690665502 GINCWGAIGRHQGK-GOSISDBHSA-N 496.543 2.846 30 10 JFEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1691268813 DGIYEEZROSUUOK-JOCHJYFZSA-N 495.628 2.891 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1692781602 GGYIAKIDRBNMDD-VPKVUBIPSA-N 495.600 2.599 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccco2)CC1 1696486652 HDJSYIMPWSVZTC-UHFFFAOYSA-N 484.582 2.620 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1705504859 CZNMZHNTPILYGD-OALUTQOASA-N 460.623 2.919 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCC(F)(F)F)nc1 1705550253 FAGWPSYHUSFZFY-UHFFFAOYSA-N 493.515 2.692 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705568903 XGZZBJBQDXUNST-QUCCMNQESA-N 493.029 2.952 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(=O)OC)CC1 1705614549 MWGNAPDKVXKTSR-LJQANCHMSA-N 490.605 2.524 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CC 1705627681 NLJPEBPFHVOLTR-LEWJYISDSA-N 474.650 2.963 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)COC)CC1 1705655345 BUCHQCOLBFOGOY-UHFFFAOYSA-N 465.982 2.835 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705722582 SRLCEWYEWVSBQY-UHFFFAOYSA-N 471.608 2.949 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1705883223 AIKKDYJRWQACDE-UHFFFAOYSA-N 486.598 2.590 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1705907097 ZQPOVMLZSUTKPC-UHFFFAOYSA-N 467.599 2.559 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705934960 CDSIKDBVDURTLE-GOSISDBHSA-N 494.061 2.816 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(Cl)cc2C1 1705938286 UEUQBKZDFHLALN-UHFFFAOYSA-N 475.018 2.957 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705946933 VEMXJWOFVWRYAX-PZJWPPBQSA-N 475.684 2.810 30 10 JFEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1706032783 AGFSOMYUBPPHJQ-UHFFFAOYSA-N 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2.845 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722497245 TWGNVXZCNCORMS-UGKGYDQZSA-N 473.021 2.838 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722527868 SKSWFTMAIKLAOL-SFTDATJTSA-N 466.586 2.987 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722536202 SOSKVWSARLVJBB-QGZVFWFLSA-N 490.630 2.966 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1722587267 IUBGDSZMDPOGAM-LJQANCHMSA-N 457.575 2.906 30 10 JFEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1)C1CC1 1722644348 XITRLYCDODUQGB-UHFFFAOYSA-N 452.603 2.576 30 10 JFEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723023906 HRGFPTHAOHKQFM-AONNBLCTSA-N 471.631 2.660 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)Nc1ccccc1 1723026353 FMGVDUYAVMYDFI-QKNQBKEWSA-N 452.559 2.954 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1726831206 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482.629 2.537 30 10 JFEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)CC1 1301176292 VZDYQXYVACGVHN-UHFFFAOYSA-N 455.588 2.773 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1301257868 FKSALXJUGQEXGU-MSOLQXFVSA-N 465.645 2.922 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1301508891 WVFPDCNQMGPXPH-UHFFFAOYSA-N 466.630 2.952 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1301588824 KCAFDEPGAVXWJD-OAQYLSRUSA-N 472.611 2.872 30 10 JFEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(F)(F)F 1310885071 IAEKRZUGXLNLQE-CABCVRRESA-N 457.453 2.962 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 1358955032 CLOOWTODTRUAGJ-NRFANRHFSA-N 496.637 2.547 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358958488 PHSYEFPHBPUDTC-AUSIDOKSSA-N 472.542 2.520 30 10 JFEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1359012714 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485.606 2.619 30 10 JFEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccc2OC)cc1OC 2325888092 DGGGYIMQPMRJGG-UHFFFAOYSA-N 469.567 2.939 30 10 JFEE COC(=O)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cccc(OC)c1O 2328648927 NUGXOOKJSKOVGO-UHFFFAOYSA-N 456.524 2.933 30 10 JFEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2cccc(C)c2)cc1OC 2330733808 MUGYMJDSGHOPCG-UHFFFAOYSA-N 482.566 2.853 30 10 JFEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccc1[N+](=O)[O-] 2330778052 QPKHOXUQINVRDV-UHFFFAOYSA-N 478.494 2.646 30 10 JFEE COCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(O)c(OC)c1 2331595310 PWQDOCZAKAVHLK-UHFFFAOYSA-N 452.496 2.962 30 10 JFEE COc1[nH]c(=NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786741 QTWBHBNPYASXBD-CAJLXGCNSA-N 451.348 2.619 30 10 JFEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359263199 JHJXCUGCEUWJEI-LSBZLQRGSA-N 458.364 2.732 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2361642383 XGBDNOXIDOCKJI-KRWDZBQOSA-N 478.420 2.568 30 10 JFEE CC1(C)OB(c2sncc2C(=O)N2CC[C@](COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2362575824 ZMXCDJGDAARHDU-QHCPKHFHSA-N 472.372 2.576 30 10 JFEE C=CCN1C(=O)N[C@H](c2cccc(C)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)CC1 36019797 NETGOVCCYMXLMK-HSZRJFAPSA-N 483.613 2.800 30 10 JFEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1 58993482 GSZVAGNHBKKQGB-KEBDBYFISA-N 457.472 2.907 30 10 JFEE C=CCOc1cccc([C@@H]2/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1 102532239 FWKQGMGDCVBOKZ-RKKARLDVSA-N 452.507 2.907 30 10 JFEE Cc1nn(C)cc1/C=N/Nc1nnc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)[nH]1 253562471 DHRITFGSMLHWJB-NGYBGAFCSA-N 472.516 2.541 30 10 JFEE COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4cccc(O)c4)c(=O)n32)c(OC)c1 254294471 JKRRSNXFOMMYQP-QFIPXVFZSA-N 450.516 2.547 30 10 JFEE C#Cc1ccc(NC(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)cc1 1134708760 NQJURYIXJXEXGX-UHFFFAOYSA-N 453.543 2.720 30 10 JFEE C=CCN(CCc1ccco1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1137857459 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C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 1286810552 SQYWTMUGQRSDSW-QKLQHJQFSA-N 495.596 2.543 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1286813263 YUCYLRDHWWEYAH-KCZVDYSFSA-N 454.619 2.933 30 10 JFEE C#C[C@H](CO)NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl 1298584257 ITFSDCMGYKDCDS-MRXNPFEDSA-N 455.363 2.685 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1300497310 YFUFLRGMQCDRIT-HKUYNNGSSA-N 482.528 2.866 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1300504330 MBLBLVIVFPDDBF-HFMPRLQTSA-N 486.638 2.853 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1300527934 MQDOJIXFLCSTKO-SANMLTNESA-N 470.533 2.639 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCS(=O)(=O)CC1 1300561988 XDZDGCQEEJRRAJ-UHFFFAOYSA-N 462.579 2.623 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccsc2)CC1 1300688704 JSQQXOVROJGIGU-UHFFFAOYSA-N 453.568 2.836 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCN2CCCC)CC1 1300726577 OBLUMJFXSFSIEG-XMMPIXPASA-N 477.657 2.884 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Br)cn1 1300779377 VUXIAKKJWZEDOS-HXUWFJFHSA-N 469.347 2.577 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1300877794 ZTZZGJPMMCUREZ-CVDCTZTESA-N 496.612 2.599 30 10 JFEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301185434 DAHKQKWVQKZMKJ-KRWDZBQOSA-N 470.599 2.562 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301197727 YEIKWTBDUVDCSH-UHFFFAOYSA-N 479.629 2.858 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1301587339 YRUARHMIIJYWDT-DOTOQJQBSA-N 457.556 2.774 30 10 JFEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301597609 UHVNVFZVINBEJQ-OAQYLSRUSA-N 470.643 2.616 30 10 JFEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1)[C@H]1CC[C@@H](C)C1 1301759478 FIICWYUIBJTNFL-CTNGQTDRSA-N 469.586 2.912 30 10 JFEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCC1 1302600004 DZSTVOFRFOLUCP-UHFFFAOYSA-N 460.629 2.620 30 10 JFEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)C1 1314986596 BPRQHGLVCLCQPG-SFHVURJKSA-N 463.508 2.663 30 10 JFEE COCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315762089 ALQBZYQWTUKOAX-UHFFFAOYSA-N 478.601 2.867 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCCS1 1316089358 FNYQNIRGVANWLB-NZQKXSOJSA-N 489.667 2.991 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358898604 WTUPLVOCTDTNLL-ROUUACIJSA-N 464.549 2.955 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358919740 JFRTYWAGPFEDGZ-UYAOXDASSA-N 475.590 2.975 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1358922588 KEYGCOJBDOFIKN-OAQYLSRUSA-N 468.583 2.556 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(C)OCCc2sccc21)[C@H]1CCS(=O)(=O)C1 1358955468 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C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359213689 CXMAAWROOXQCBH-IBGZPJMESA-N 463.586 2.994 30 10 JFEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1359307142 BVSDORXBGZGNKN-UHFFFAOYSA-N 452.603 2.805 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C)[C@@H]2CC)cc1 1359308630 ULSXDVLUIHJGCR-NYVOZVTQSA-N 489.642 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1359331960 LITZUXWDRIAFEG-HKUYNNGSSA-N 479.647 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1359334486 HPHYXGHBFKEJGC-OAQYLSRUSA-N 473.643 2.749 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(I)cc2F)c1 1453018839 UBDDMSNFPZBQGM-UHFFFAOYSA-N 458.252 2.594 30 10 JFEE Cc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)s1 1492658427 CRKMATHVSZHCQU-GOSISDBHSA-N 456.597 2.952 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1502524637 CFUPXPFPTPKIDQ-OAQYLSRUSA-N 479.585 2.934 30 10 JFEE 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2.752 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1507688819 DVEAZYFVROCLQJ-NRFANRHFSA-N 466.611 2.550 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(=O)NC)c1 1507691706 MELVVUVSWXOMKP-OAQYLSRUSA-N 496.612 2.648 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1507702989 YTEBYFDLYAJBPW-OCOZRVBESA-N 485.523 2.569 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1507734113 RKGWTZPCMUHWBZ-UHFFFAOYSA-N 463.561 2.915 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507755557 FVABWKOVKBOQNT-UHFFFAOYSA-N 473.606 2.837 30 10 JFEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1507759774 OPJHKPVCJQKMSZ-JOCHJYFZSA-N 471.627 2.835 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1507821256 XMEWLSJQBHVWCJ-SFHVURJKSA-N 482.676 2.836 30 10 JFEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507865474 DDCWDGJYNCETNJ-UHFFFAOYSA-N 483.020 2.874 30 10 JFEE C=CCCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1507936609 FDIQADZFYDHBIS-DEOSSOPVSA-N 451.575 2.880 30 10 JFEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1507971959 QJKJWQTXOOYOLP-UHFFFAOYSA-N 461.570 2.553 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H]1C(C)C 1508040884 DASGWDNUELFLDV-AVRDEDQJSA-N 466.586 2.892 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508042488 LSVIUWJKRHIXPL-UHFFFAOYSA-N 459.982 2.631 30 10 JFEE C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1508057590 CIEWBNCBOHTMIL-IBGZPJMESA-N 486.598 2.663 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1508077111 XJTGGCAUKCPJEQ-QGZVFWFLSA-N 499.616 2.947 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1508078120 UGDFDBCQLRDIPW-UHFFFAOYSA-N 465.627 2.897 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1508080463 BGWVWUXOHBQNMU-SJLPKXTDSA-N 470.574 2.605 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(F)(F)CC1 1508140444 NXHPBFXMIUOVEG-UHFFFAOYSA-N 462.526 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1508144728 SQHYYNNMHKWWKR-IBGZPJMESA-N 475.644 2.581 30 10 JFEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 1509876938 CPEOSZZVXQTMTG-UHFFFAOYSA-N 467.618 2.669 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1(O)CCCCC1 1510181934 DMGJXEHVKWKMEG-KRWDZBQOSA-N 472.615 2.624 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CC1 1516771506 BOPXGNPJTBKKCB-UHFFFAOYSA-N 487.536 2.996 30 10 JFEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CCCCC1 1516978503 ANDQSXZWSDMSGF-OAQYLSRUSA-N 456.616 2.562 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539101864 KZYQJAVSUDSIGU-FQEVSTJZSA-N 481.626 2.887 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1539212638 WRVLRNPVBOFTKI-GOSISDBHSA-N 473.986 2.643 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCC[C@@H](C)C1 1539245224 BJBHUQQQBMJLDF-OAQYLSRUSA-N 467.639 2.934 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CSCCS1 1539371335 STBXJOBPUGNVGL-SJORKVTESA-N 467.661 2.895 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1ncccc1N(C)C 1539384984 RLDXBZLMJNASMA-UHFFFAOYSA-N 461.545 2.802 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2c(Cl)c(C(F)(F)F)nn2C)n1 1539424911 YGHFDUQZBOONBD-UHFFFAOYSA-N 484.914 2.777 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CC(F)(F)CO2)CC1 1539488186 JHPDBMWQJJKSRM-FQEVSTJZSA-N 487.551 2.810 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1539623372 MHYFYIRFYXYHIM-CDXJDZJCSA-N 476.599 2.914 30 10 JFEE C=C(C)Cn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539723660 WVPHDCIZCCMTRF-VWLOTQADSA-N 471.577 2.925 30 10 JFEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1539758292 FYTSKIIBEMLVIZ-YADARESESA-N 458.559 2.843 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540875835 ZIRZHZIUJQXXGP-QGZVFWFLSA-N 488.564 2.744 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2OCCC2(C)C)C1 1540885168 CSUCHLZUPQQIFS-QUCCMNQESA-N 460.600 2.945 30 10 JFEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1541284355 ADMGRULABSEZLV-UHFFFAOYSA-N 463.586 2.570 30 10 JFEE CC(C)CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCN(C)C(C)C)CCN2C1=O 1541551575 HVBKKSCRKVGTKF-QFIPXVFZSA-N 494.644 2.651 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)CN(C)C 1542054211 IFUHLVPANKHBRH-QFIPXVFZSA-N 476.626 2.576 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)Oc1ccccc1F 1548174585 FRYYUUSRWILDGA-ROUUACIJSA-N 480.548 2.798 30 10 JFEE CCn1nccc1C(=O)N1C[C@@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375497 NYWBCBKCVHECKR-SFHVURJKSA-N 474.487 2.638 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)c2ccn(C)n2)CC1 1548397427 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1615328298 CKUGSWPWJNQUOC-UHFFFAOYSA-N 490.612 2.655 30 10 JFEE C#CCCN(CC(F)(F)F)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1624726538 QGKCXDSVHUTQMN-OAQYLSRUSA-N 457.452 2.914 30 10 JFEE CC(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 1628456184 BECVFTXVJNRBHS-UHFFFAOYSA-N 454.508 2.951 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)s1 1640480729 YXBVCMQAWWABSQ-QHCPKHFHSA-N 459.637 2.880 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 1641439644 JWYQZOHTVNVDBB-INZIPBBXSA-N 450.561 2.646 30 10 JFEE COc1ccccc1NC(=O)CN1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 1652973680 FOWQNDCXCWFQPC-ABGUIGEDSA-N 455.603 2.571 30 10 JFEE C#C[C@@H](NCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OC(C)(C)C)[C@@H]1CCCO1 1658337354 WWNMFDYHAAIIBB-CABCVRRESA-N 450.557 2.897 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1689839631 IVDAQQJAZQFKFG-DZGCQCFKSA-N 484.395 2.729 30 10 JFEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1689926654 VOHQNFMUATWYCU-UHFFFAOYSA-N 475.597 2.783 30 10 JFEE C#CCCCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689940831 DWWRCBZPZBGJTR-AQNXPRMDSA-N 458.607 2.815 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1689961191 ODNRANZITPUWDN-UHFFFAOYSA-N 489.580 2.829 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689989777 IRCGHKUBPOCBOJ-OTWHNJEPSA-N 460.625 2.590 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689992566 LXQYVMKYHFZDRG-JOCHJYFZSA-N 487.645 2.757 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992819 PBPVELNPFILFOP-RPWUZVMVSA-N 483.682 2.924 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689996611 KQCKVFWKJLKURL-HSZRJFAPSA-N 499.681 2.977 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1690029517 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1705893226 UOBIFKTZSYYTHR-UHFFFAOYSA-N 498.653 2.705 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705898402 KLOWCCSKTFHKQP-RBUKOAKNSA-N 455.559 2.660 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1705907328 IOUMKJLOBCDYGI-QGZVFWFLSA-N 456.620 2.967 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC2CCOCC2)[C@@H](C)C1 1705997972 SMJNHGXVCBMWTJ-FQEVSTJZSA-N 496.612 2.619 30 10 JFEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1711491011 DFMOUZRIINUBDO-UHFFFAOYSA-N 454.575 2.848 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369726 FKBBKRYVOMQDRH-HXUWFJFHSA-N 474.627 2.916 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCN(CCN(C)C)CC1 1722376307 YPPXACNNDAHCEA-UHFFFAOYSA-N 469.033 2.954 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722484950 LHLMLMOEGYZOJN-CYBMUJFWSA-N 490.374 2.574 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCOCC1 1722504213 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C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCCCC1 1740576146 YIHBVLMLZNHRNK-OAQYLSRUSA-N 463.648 2.964 30 10 JFEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1740591124 QACDJHJVZHVWFF-JOCHJYFZSA-N 456.635 2.752 30 10 JFEE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740619977 RWAPVZVYQXWZMP-NRFANRHFSA-N 481.622 2.750 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740626664 YELLONBCIZSLJT-XMSQKQJNSA-N 466.611 2.570 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740628407 XJTWCQLZMPPMDI-YADHBBJMSA-N 486.638 2.882 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cccs1 1740660671 ZEFZDWWBVYDZHF-UHFFFAOYSA-N 470.986 2.813 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2cccn(CC)c2=O)CC1 1740690996 RTWJKWVCKCOBNG-OAQYLSRUSA-N 490.608 2.802 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)CC1 1740706382 UBBQCBTXKCBMMD-HSZRJFAPSA-N 464.614 2.908 30 10 JFEE 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458.580 2.786 30 10 JFEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 1617893074 CWJOGMLJFHFDCC-CQSZACIVSA-N 458.609 2.744 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)CC1 1628146198 DKUHKXSIUUGDQG-UHFFFAOYSA-N 452.603 2.515 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccccc3Cl)CC2)s1 1631066714 BMWQCLKLWWXQFU-UHFFFAOYSA-N 454.017 2.753 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)c2cccc(Br)c2)ccc1F 1631386582 VDOHOANNOCWBSN-INIZCTEOSA-N 457.321 2.516 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N[C@](C)(CO)Cc3ccc(Br)cc3)cc2C1=O 1642699095 ABLJCULYORZSFI-QFIPXVFZSA-N 457.324 2.955 30 10 JFEE C#CCN(C(=O)CNC(=O)N1CCc2ccccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1644790272 UBBHPHBCLOXJFU-UHFFFAOYSA-N 454.571 2.616 30 10 JFEE C=CCOCCNC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1674730060 BHWRVXBYBUVSOM-UHFFFAOYSA-N 457.388 2.550 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1689824421 PBGNFQDOSQZIEN-CQSZACIVSA-N 463.489 2.543 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C(C)C)N1CCOCC1 1689833615 NQDNIHKNNFTJKC-QFBILLFUSA-N 463.424 2.861 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1689847879 KJDVMTRSMMWBOB-NHCUHLMSSA-N 491.640 2.931 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689983635 DHICZDXOGVLLOI-PLTNMMHCSA-N 476.668 2.681 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1ccccc1)N(C)C 1690013223 GGJINWLZKRTBEF-JOCHJYFZSA-N 475.622 2.614 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCCc1ccccc1 1690062039 AIPAKXCHUIHZHD-UHFFFAOYSA-N 469.387 2.865 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCC[C@H](C)C1 1690100945 IYACYFHHDYFXRJ-FQEVSTJZSA-N 491.640 2.789 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1690119494 HQCSKKVSUUCKGC-NRFANRHFSA-N 470.065 2.627 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCNC(=O)C(C)(C)C)CC1 1690152698 VAVHSRRLMFCDDA-UHFFFAOYSA-N 494.640 2.548 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690238671 MIHBJQYFDGSQFZ-URXFXBBRSA-N 482.629 2.582 30 10 JFEE C=C(C)Cn1c(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)nnc1[C@@]1(OCC)CCOC1 1690298180 RPPXCUKRADSPPT-HSZRJFAPSA-N 478.041 2.778 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1690304962 STENJIBHXFZEQR-KRWDZBQOSA-N 498.809 2.905 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690313236 OGLHVTKWIKXGFO-SFHVURJKSA-N 495.045 2.914 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1690415335 HXHCMURAOQOTTI-UHFFFAOYSA-N 452.603 2.732 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690464827 LFFCQRRLUDBRCV-SFHVURJKSA-N 472.590 2.874 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nnc1C(C)(C)C 1690676804 FBTSUBMVTDXQOF-HNNXBMFYSA-N 459.982 2.781 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC2(CCOCC2)C1 1690718990 DLHPKYWIONVLLJ-UHFFFAOYSA-N 490.626 2.960 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690726927 QUJBWPSGZCZNPU-DEOSSOPVSA-N 486.642 2.759 30 10 JFEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1693520593 CQZUAEPLVYSMGQ-OAHLLOKOSA-N 463.542 2.696 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1696675989 DSJJIRWBDDFUIJ-LJQANCHMSA-N 498.634 2.745 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCCC2)n1 1697948394 DFBJRTKJGSBNKM-UHFFFAOYSA-N 451.531 2.984 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 1705516728 HYDLHBWAXOPDSM-JOCHJYFZSA-N 471.627 2.799 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NCCC)CC1 1705517288 SHABXXJXVGOPOU-UHFFFAOYSA-N 478.645 2.998 30 10 JFEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705519177 BKEVUXWYYGWDHA-UHFFFAOYSA-N 480.642 2.817 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705527150 WPGSSTCLNQGQTN-LJQANCHMSA-N 497.625 2.759 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1705560192 FHFPPFBRBLSKSS-MRXNPFEDSA-N 477.493 2.518 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570272 NOOVJMUOQLCTCH-YADHBBJMSA-N 481.622 2.586 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705593046 DKMLMFMKNNDZFF-UHFFFAOYSA-N 483.981 2.939 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705617659 CVMNJVNFJAKCTB-GOSISDBHSA-N 455.456 2.719 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705656434 XQGDOPHXZQFNGJ-UHFFFAOYSA-N 485.017 2.875 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705658819 BSKHYSWPKAPRBJ-OAHLLOKOSA-N 464.473 2.728 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1705693654 JGSOBMYSBDYCOD-VUMVONDWSA-N 487.004 2.544 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1705717883 UHRZQQLUOOWPFK-MJGOQNOKSA-N 467.661 2.954 30 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30 10 JFEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1508102971 AMHLBBXWQCNQEP-UHFFFAOYSA-N 496.637 2.737 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508133428 JAHVYDPTVRSUDO-ZHRRBRCNSA-N 497.017 2.592 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCCC[C@H]2C1 1508134512 FMRJGXCYCGMDHF-SFHVURJKSA-N 481.569 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CCC(C)(C)C)CC1 1508139040 COTLUZLGMBKDOT-UHFFFAOYSA-N 460.648 2.808 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCC3(CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1508148967 LYMFZHLEDWEERC-JOCHJYFZSA-N 452.621 2.692 30 10 JFEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1512495890 CMLDPFHJAVTAGU-QAPCUYQASA-N 480.491 2.657 30 10 JFEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1CCN(CCN(C)C)CC1 1513913270 GJZMTVCUPDGDPS-UHFFFAOYSA-N 485.080 2.966 30 10 JFEE C#C[C@H](C)N(C)C(=O)Cc1cc(I)cc(I)c1 1524940848 YQGAZPLUKLDDTG-VIFPVBQESA-N 453.061 2.918 30 10 JFEE 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30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760557395 KJQIDUTZHJQWCG-LEWJYISDSA-N 475.659 2.994 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760558452 PKEQEBBHCBPULH-OAQYLSRUSA-N 498.074 2.787 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C2CCCCC2)cc1OC 1765992997 HCLBGSPLRYHMFD-HXUWFJFHSA-N 482.585 2.872 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)cc1 1766033097 CZWBJAIOCWHPEV-DENIHFKCSA-N 484.601 2.656 30 10 JFEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CCC1 1768205272 FGIXZYZMGCQXMJ-UHFFFAOYSA-N 452.559 2.793 30 10 JFEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1768715110 DMYWKPWEEYDPQR-UHFFFAOYSA-N 455.540 2.925 30 10 JFEE COC1CCN(C(C)(C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1769073256 DNSFPYBXIAYXSM-JOCHJYFZSA-N 468.602 2.784 30 10 JFEE COC(=O)c1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858678135 GKKUGEULZSHSOI-UHFFFAOYSA-N 492.513 2.785 30 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C=CCn1cc2ccc(NC(=O)N3CCN(c4ccc(NS(C)(=O)=O)cc4)CC3)cc2n1 1674576622 NRMIJLVOIJPDAP-UHFFFAOYSA-N 454.556 2.948 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 1677301196 WPQSWGBYBUJGNK-KDURUIRLSA-N 457.550 2.627 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1CCC 1689834895 BIOMTECGHQTOGP-CTNGQTDRSA-N 472.659 2.918 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1689848366 UDQXQGIYESLXAP-CVEARBPZSA-N 456.497 2.947 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1689989275 CSUSMPJCIWICRE-CXAGYDPISA-N 486.491 2.751 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689992372 KCNOCBIOPDXWOA-JOCHJYFZSA-N 457.644 2.534 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCc1nccnc1C 1690035867 MRUJFMIWLZUHPI-UHFFFAOYSA-N 452.360 2.850 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=C)Br)CC1 1690114798 HYIFXJVOMNDQDP-UHFFFAOYSA-N 452.360 2.999 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1690171062 VWYHVLRVNMUICI-MSOLQXFVSA-N 486.642 2.893 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690222050 IBGQAWDBALNAKN-UHFFFAOYSA-N 499.391 2.622 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1690262469 BEYBJQJMKOZXKB-UHFFFAOYSA-N 465.558 2.920 30 10 JFEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690310163 WJCJWBVHSWOXEI-SFHVURJKSA-N 495.584 2.545 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1690316722 KJEXJYPHVUKAMF-UHFFFAOYSA-N 476.622 2.877 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCN(CC)CC1 1690516242 CLVYPPDPXIUBGJ-INIZCTEOSA-N 450.429 2.694 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCCCC1 1690717905 UZYXYDWZHOTGDC-UHFFFAOYSA-N 464.588 2.952 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1690993283 HVBPVIQVAXSJHM-QWHCGFSZSA-N 487.399 2.628 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1692659700 BHSGSSFHGNZXMC-YVHKJVDXSA-N 464.636 2.999 30 10 JFEE CCCOc1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1695461639 GEFKRPPXHDMMAV-FQEVSTJZSA-N 461.526 2.686 30 10 JFEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@H](C)C#N)c1 1697018741 AYKSDESPBNANFT-NSISKUIASA-N 474.631 2.749 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCC)CC2)c1 1705506943 MQJLCEAYEXBOLJ-LJQANCHMSA-N 469.611 2.817 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1705532351 MKPGLQQRLVEPEQ-OTWHNJEPSA-N 479.647 2.723 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCCn1cc(Br)cn1 1705556979 JEDCVCJMHPMJMY-UHFFFAOYSA-N 459.348 2.984 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705560874 LNBXXRDSFZIOTR-CTNGQTDRSA-N 495.653 2.692 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccco1)N1CCCC1 1705575197 YPYKPEFYIGNVKQ-PXDATVDWSA-N 451.571 2.822 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1705652287 UYPYZNWGKXNBHF-UHFFFAOYSA-N 468.627 2.866 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1705658115 DYEGDAQTFPMYIY-UHFFFAOYSA-N 480.594 2.733 30 10 JFEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1705735559 ASIVPBQCCWYVTH-UHFFFAOYSA-N 452.559 2.883 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705792283 QHJVDWCCUDYSMI-PXNSSMCTSA-N 475.615 2.911 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705828077 ANFARCGIGUHCSC-UHFFFAOYSA-N 479.560 2.748 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1705828318 JINRUPXEPKPPPX-UHFFFAOYSA-N 465.558 2.730 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705896936 CCFQJDKEPZWDKE-MSOLQXFVSA-N 478.519 2.627 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1705929991 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469.677 2.689 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CCn2cncn2)C1 1722976917 FVPQLQKQMBCATA-LJQANCHMSA-N 469.594 2.814 30 10 JFEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1726769301 ASZJRIMTIIEJAJ-RBUKOAKNSA-N 456.616 2.781 30 10 JFEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(OC)CCOC2)c2ccccc2c1=O 1728162921 BAQTYEKKFMJNMP-MZNJEOGPSA-N 465.558 2.609 30 10 JFEE CCn1cnnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1728541709 BCAMCRADNOSUJL-CQSZACIVSA-N 463.329 2.552 30 10 JFEE CCOc1c(Cl)cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)cc1OC 1728832510 BSPLPRNOPCTFOP-SBUREZEXSA-N 491.976 2.768 30 10 JFEE CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O 1729558313 HPPIFWJNIVICMP-RBBKRZOGSA-N 462.602 2.840 30 10 JFEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2ccco2)CC1 1731184442 APULHRUPMOPGFJ-UHFFFAOYSA-N 458.320 2.799 30 10 JFEE C#CCCCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740578666 LHQZTXMBJVEMHA-GBESFXJTSA-N 458.607 2.815 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740624342 FPTGCSQZXRQAIH-CQOQZXRMSA-N 498.697 2.649 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740625759 PIGFYSSTDPHNHK-QGZVFWFLSA-N 478.565 2.733 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C(CC)CC)N1CCOCC1 1740637944 FLWMIOHMGJIRDN-HSZRJFAPSA-N 487.608 2.804 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740642394 VFRBTNYVLYDXGY-HXUWFJFHSA-N 463.479 2.734 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCN/C(O)=C1\N=CC=CC1=O 1740650138 QBQVDBIPPTWLQI-ZNTNEXAZSA-N 454.490 2.681 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC1CCOCC1 1740653371 KMVMQRRAUHFBLP-UHFFFAOYSA-N 460.538 2.643 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1740668929 FMNIIDHUQHMGQP-GOSISDBHSA-N 450.543 2.501 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCc2nccn2C1 1740680616 IVQMDSNAZAVMDC-SFHVURJKSA-N 450.543 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CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)OC 1708673667 BXGFEXOKOURHEM-QFIPXVFZSA-N 453.522 2.839 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCN2CCCC[C@@H]2C)c1 1722306423 RWRMBVZMAIQXJW-NRFANRHFSA-N 491.640 2.835 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722315695 ZWCPPDXAJTYKOS-UHFFFAOYSA-N 458.969 2.942 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366119 PTWGSZHAROMBOU-LJQANCHMSA-N 460.575 2.594 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(F)cc(F)c(F)c1F 1722390081 AOXAVEHUAUVVOM-QFIPXVFZSA-N 450.436 2.998 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cn(C2COC2)nn1 1722403707 AXTAFOOIFWGVEZ-UHFFFAOYSA-N 456.348 2.687 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(-c2ccccc2)n1 1722421325 OYMGTPVAUSQMLN-UHFFFAOYSA-N 495.385 2.761 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1722523951 CNPNRDNTGLSDEP-LJQANCHMSA-N 462.595 2.610 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1722595904 XUTUWBGXSNDWJO-KJJMTIBFSA-N 474.627 2.985 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC(=O)NC1CCCCC1 1722654957 ZQRUTHXFUACXBZ-UHFFFAOYSA-N 463.586 2.929 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1)C(C)C 1722665963 PDQIRUMMQYAOHQ-UZINWLIJSA-N 486.661 2.702 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722706037 LRSBVPRNSUZTLL-SFHVURJKSA-N 472.546 2.641 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722725601 OQYPGZSYTXIJJW-UHFFFAOYSA-N 489.539 2.877 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1722726947 HFGQTUWRIKLZDR-QGZVFWFLSA-N 460.629 2.819 30 10 JFEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(COC)CC1 1727484975 FOOFLTZAYJMALU-UHFFFAOYSA-N 479.585 2.944 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740627770 KLBKHDUWSVCTTN-LJQANCHMSA-N 486.619 2.911 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCC2(C1)OCCO2 1740634110 GFJKFNHQKCIBTD-LJQANCHMSA-N 450.539 2.968 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(S(C)(=O)=O)CCC1 1740684296 MIGXATNUCQJWJP-UHFFFAOYSA-N 469.567 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCOC[C@H]2C)CC1 1740707293 XAEAACGMJYDUAR-WIYYLYMNSA-N 453.562 2.646 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1740773779 DHNVGAXLQDSGKI-UQBPGWFLSA-N 488.633 3.000 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1740898324 KSORWDWZVIDZQV-LJQANCHMSA-N 460.623 2.880 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1740956179 MAANEDZCYUYEFE-KRWDZBQOSA-N 482.564 2.776 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cscn1 1740957934 DXEFCXZODNHTEF-INIZCTEOSA-N 475.619 2.788 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCC(=O)N(C)C)C1 1740984687 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C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1748809569 NODGVQOEXWNSBX-WMZHIEFXSA-N 486.619 2.550 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1748820512 CVATVVYLEFKTGO-QZNHQXDQSA-N 486.638 2.514 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1csc(CCc2ccccc2)n1 1748825397 VVHQDTHZLRLXEW-UHFFFAOYSA-N 458.591 2.877 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1749170381 MJZRUDDANWJZEH-RTBURBONSA-N 452.669 2.945 30 10 JFEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(=O)NC)C1 1749216958 XBDHPWWPGWTEJM-AEFFLSMTSA-N 459.616 2.675 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1749401625 BAIAMMJDOZIBIH-HXUWFJFHSA-N 463.579 2.669 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1CC 1749667389 ZSMFTZIFFIRJAD-YLJYHZDGSA-N 463.586 2.992 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1749695626 GBAOQUOCZCCOSR-ZJSXRUAMSA-N 463.630 2.872 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCO2)C1 1749712568 JNBXIFBHOIQBRX-IPMKNSEASA-N 463.579 2.547 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1749724408 IUPWUHPGKYDVRH-OALUTQOASA-N 485.610 2.643 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1749740287 UBUDLEKMOIYILG-UHFFFAOYSA-N 461.632 2.902 30 10 JFEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760134472 OIGPHEMIDUTPGO-INIZCTEOSA-N 452.950 2.934 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)CC1 1760141146 KVGFHIMHJNCDEN-UHFFFAOYSA-N 454.522 2.757 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760182615 HEGUYQMRNBEXBQ-OAQYLSRUSA-N 466.611 2.651 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184359 WEKZTGHLJBGRFV-QHCPKHFHSA-N 499.681 2.592 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCC(C)C 1760195839 ISNKIPZSAKQOGL-XMMPIXPASA-N 470.643 2.807 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1cnc2c(Cl)cnn2c1 1760198943 LOJQFTLQHQEOTJ-UHFFFAOYSA-N 475.940 2.974 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1760219568 IBUDPABGWXVZOK-FQEVSTJZSA-N 464.526 2.562 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C)CN2CCCC2)CC1 1760257903 BVBLDVXOSNDHNM-NRFANRHFSA-N 466.630 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccsc2)CC1 1760266311 VQODVMDINJVWQD-XMMPIXPASA-N 471.627 2.589 30 10 JFEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1760362996 BOTFKKFQNRKTNI-OAQYLSRUSA-N 489.642 2.577 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760412775 QWFZLWLKAPXKPZ-NQIIRXRSSA-N 455.559 2.734 30 10 JFEE C=CCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760514175 VYKNJIQBKMRGQY-HDICACEKSA-N 457.579 2.853 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC2(CCOCC2)C1 1760514591 APNJREVKHQMBDN-UHFFFAOYSA-N 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CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284012682 XRSNXRCDJRDLAY-MAUKXSAKSA-N 464.343 2.993 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2284054801 JILUFCISVZWSMZ-SJORKVTESA-N 478.420 2.590 30 10 JFEE Cc1ccc(S(=O)(=O)NCCN=Cc2cccc(I)c2)cc1[N+](=O)[O-] 2313504669 KDCGGQPFMACQHI-UHFFFAOYSA-N 473.292 2.905 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1 2330794345 ZTNZFPOCHHFVAL-HNNXBMFYSA-N 454.531 2.905 30 10 JFEE COc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC 2332190207 AEOXNAFMZPFRMY-UHFFFAOYSA-N 465.466 2.834 30 10 JFEE CC[C@H](CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O)NC(=O)OC(C)(C)C 2339410429 JQARADDBFWNWQX-CYBMUJFWSA-N 452.332 2.864 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2C[C@H]3[C@@H](C2)OCCN3C(=O)OC(C)(C)C)C1 2342933732 SCQPIMDXPCMSDW-UUDJQVRQSA-N 463.575 2.576 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2359391057 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FGAIDHURYGQSDW-UHFFFAOYSA-N 460.494 2.815 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCSC2)CC1 1286486510 GEESMTHJXMHWGO-QFIPXVFZSA-N 477.993 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)CN2CCCC2)CC1 1286491049 CHSFZMAKDFFBGD-LJQANCHMSA-N 484.595 2.845 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286498673 KIXFHJXDPYVQJX-FQEVSTJZSA-N 483.598 2.802 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286540487 BHUHKQKDQVJSJP-OAHLLOKOSA-N 463.336 2.925 30 10 JFEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286546483 ALNVJSPVONQFDR-UHFFFAOYSA-N 483.455 2.540 30 10 JFEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286583646 PTPWQOMGVQPMFH-KRWDZBQOSA-N 451.568 2.680 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1286608426 QEIHKQRPUBZJQT-BVSLBCMMSA-N 489.642 2.586 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286621626 LJOVRDUFDLXIGP-MRXNPFEDSA-N 464.401 2.879 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)COCc2ccccc2)CC1 1286647106 ZMPYIVGUELFPHN-IRLDBZIGSA-N 489.642 2.620 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 1286795236 XZXIZIVKKWTAHW-NRFANRHFSA-N 489.580 2.843 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1286813689 ZWHFWABPZPGHTI-IRLDBZIGSA-N 489.642 2.537 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)C[C@H]1CC 1286817523 MXGOEICCZCKTHM-FUHWJXTLSA-N 494.687 2.772 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1286818716 MYRWURVRPAVMTJ-UHFFFAOYSA-N 484.557 2.574 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286827145 FFHOUFSXNYTOLC-OAQYLSRUSA-N 470.643 2.616 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2COC(C)(C)OC2)C1 1286859749 OMBKDPFSCIOFPK-FQEVSTJZSA-N 466.586 2.911 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1288517498 CLXZGDVTLNOGNN-UXHICEINSA-N 475.638 2.853 30 10 JFEE CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1291962208 ACQJBAUASOGYKS-FYYLOGMGSA-N 478.645 2.794 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOCC2)cc1 1296801433 BVGDCPXILAXYFC-DVECYGJZSA-N 472.565 2.981 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1300372484 SHPRSEBOSMSHME-KRWDZBQOSA-N 458.588 2.788 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300488915 XDLOQFNCZXQGIY-NHCUHLMSSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300498513 KVEDWYUEMNGTGF-FQEVSTJZSA-N 468.627 2.852 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1300512659 LIOKSYIGEFXXGU-NTKDMRAZSA-N 459.591 2.649 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CCC2)CC1 1300716548 NUPXRRJCMNSQFH-DEOSSOPVSA-N 475.659 2.570 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(N(C)C)c2)CC1 1300722128 HYAGRKHKLJRRSA-UHFFFAOYSA-N 457.582 2.729 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1300776513 LNEHXSPCSQZPRZ-RTBURBONSA-N 469.611 2.870 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1300776541 LWPYTQAAPHDTSD-GOSISDBHSA-N 497.600 2.760 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1300889002 ONXZWHNSSTXSTF-HYBUGGRVSA-N 452.603 2.940 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1301351406 SBYGBTWWDHNDIH-HXUWFJFHSA-N 457.550 2.753 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1301497647 ZOSGQLNDFZGRAM-XMMPIXPASA-N 466.973 2.788 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1301544212 UKLUHFIVDYTZQO-SJORKVTESA-N 468.526 2.554 30 10 JFEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301597531 RQSPKJRSMHJHJE-OAHLLOKOSA-N 461.588 2.557 30 10 JFEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1301838499 DWDSJEFSQNCUBK-SFHVURJKSA-N 475.519 2.806 30 10 JFEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1F 1304259576 AQPYVRSVRTYDBB-XMMPIXPASA-N 467.549 2.522 30 10 JFEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)s1 1309562283 FPKBPCBKRUKKHS-UHFFFAOYSA-N 459.471 2.936 30 10 JFEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCc2nnc(C)s2)CCOC1 1314080197 CCSNMVMXWNBQFF-JOCHJYFZSA-N 453.572 2.841 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(C)CCCO2)c1 1358901827 XSFOQMDTTPGQHC-JWQCQUIFSA-N 467.570 2.556 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358957835 BDCUERLMTLQDBW-JPYJTQIMSA-N 456.568 2.869 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1358958211 JPPRYFXKQHFWLG-XZOQPEGZSA-N 482.654 2.810 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358958489 PHSYEFPHBPUDTC-CVDCTZTESA-N 472.542 2.520 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966839 XTSOYIUHYWRAPQ-ONTIZHBOSA-N 461.676 2.758 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)CN2CCCC2)CC1 1359038670 FDFQCWKNTIDWMD-JOCHJYFZSA-N 450.631 2.961 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 1359047775 SYWWVBNGTURSGN-ISKFKSNPSA-N 465.598 2.948 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359217153 PBKMWUCILWHRKJ-WOJBJXKFSA-N 487.605 2.864 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1359226524 HMSJFPIQSSLIQK-FQEVSTJZSA-N 487.004 2.828 30 10 JFEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1)C1CC1 1359253441 GEFFDAVLSGHCIN-SFHVURJKSA-N 470.578 2.658 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1359254474 SJRSBHRIGAQJCR-UHFFFAOYSA-N 482.629 2.826 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 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456.605 2.635 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)n1 1635721503 MJTVVPMXMUHSFX-NRFANRHFSA-N 456.543 2.766 30 10 JFEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1643610919 SADOKHVWCUFCOX-AWEZNQCLSA-N 456.870 2.651 30 10 JFEE CCN(CCOc1ccc(Br)cc1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1644707260 GULLIIXGTBVVPW-FQEVSTJZSA-N 451.409 2.842 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1 1668235706 JFKRLJFKDIRYEH-UHFFFAOYSA-N 451.589 2.918 30 10 JFEE C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1)C(C)C 1675964465 PXUHOUVEDMEVRD-YQVWRLOYSA-N 451.555 2.836 30 10 JFEE C=C(C)CN1CCC(NC(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1 1676415846 GTJVTULJBKPBLG-UHFFFAOYSA-N 459.595 2.696 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 1682281193 BYNPNNZIRRYDDG-PMACEKPBSA-N 453.008 2.551 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)CCC(C)C)c1 1689870358 LJQAVTQJJVOMDP-RUZDIDTESA-N 463.586 2.922 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C(N)=O)CCOCC1 1689951256 QPGHHYKMOVMAEN-UHFFFAOYSA-N 466.767 2.713 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1689990074 LKBPQZAGMGAZEW-LJQANCHMSA-N 488.610 2.637 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690039727 QMCXGKMSSAJGSW-UHFFFAOYSA-N 474.565 2.671 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690142839 VCCXCVTVAPZUSY-HXUWFJFHSA-N 495.628 2.649 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(N)=O)c1 1690262606 HCAHRALHUOVCMD-UHFFFAOYSA-N 481.626 2.982 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690435019 OHCLBNBRUMNWTA-UHFFFAOYSA-N 478.601 2.923 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@H](C)C1 1690715442 LOYNBLUMIXRPMU-IAGOWNOFSA-N 494.687 2.630 30 10 JFEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690738295 ISRVHAKEDBZKKL-HXUWFJFHSA-N 491.683 2.804 30 10 JFEE Cc1c(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1692937425 FPRSFIIGXKEEGL-HNNXBMFYSA-N 460.311 2.666 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1693964964 DRDXKPTYACTXAO-PGRDOPGGSA-N 477.617 2.565 30 10 JFEE COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1698064243 AKMDGKJUGLWJEY-IAGOWNOFSA-N 466.521 2.580 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC1 1698096106 CGLMEOSFWFHVQJ-HXUWFJFHSA-N 456.616 2.640 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2sccc2C)c1 1705507275 WSTPZXOVPSIBPM-IBGZPJMESA-N 497.646 2.849 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)C)CC1 1705535048 YXFPINBOAQTXHU-FQEVSTJZSA-N 460.623 2.920 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccsc1 1705607116 QNGKBDRILMXTCP-JOCHJYFZSA-N 473.624 2.624 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1705636603 QQGGKWBHHKYXOU-UHFFFAOYSA-N 498.628 2.975 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2CN(C)C(C)C)CC1 1705640771 FUYIAMAILOFSHM-UHFFFAOYSA-N 457.626 2.908 30 10 JFEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705659139 MJWYHIMCTVKDBJ-GOSISDBHSA-N 471.608 2.980 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705664590 UKCJZZWSQIJNRZ-JOCHJYFZSA-N 469.655 2.999 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1705664651 WZQIRPWGQLXNNJ-UHFFFAOYSA-N 490.427 2.797 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1705690760 HAGSCHAYRGBYFW-INIZCTEOSA-N 476.375 2.975 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2Cl)CC1 1705739303 BJYLFJKMCNRBTO-UHFFFAOYSA-N 458.994 2.973 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)C)C1 1705916058 IGQODFJFUULZBI-HNNXBMFYSA-N 451.369 2.589 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)C(C)C)C1 1705917379 TXUJDBDTHZRIEE-INIZCTEOSA-N 465.396 2.600 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@](C)(O)C(C)C)C1 1705921854 ANGRSNJZXDTCSO-IQGLISFBSA-N 466.586 2.863 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2sccc2C1 1706069520 DZHURHMNBBGIPQ-MRXNPFEDSA-N 450.572 2.641 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC(C)(C)O1 1708233881 CPGOVPPXYVPIMG-QGZVFWFLSA-N 473.599 2.557 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722310649 NRJFWADOVGOSDO-UHFFFAOYSA-N 498.653 2.878 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCS(=O)(=O)C1 1722358031 CNNHFZCNSUIGLW-FQEVSTJZSA-N 481.578 2.922 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccnc1OCC 1722375992 IISKCMJKFJLTID-UHFFFAOYSA-N 453.344 2.961 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccccc1Cl 1722380675 UQJKXKXKRVHGKJ-QHCPKHFHSA-N 451.914 2.640 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(C)(C)O)c1 1722383619 PRJOTEIYQJDKPL-UHFFFAOYSA-N 469.593 2.801 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCSCC)CC1 1722433354 SJDFLRZNFXKBLC-UHFFFAOYSA-N 451.438 2.945 30 10 JFEE C#CCSCCn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1722463439 CBJUADFJUGAIPU-UXHICEINSA-N 476.565 2.826 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722465063 WWANXPKEAXVTSG-FGTMMUONSA-N 460.604 2.832 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(=O)CCC)CC1 1722523383 QRMGCDGKKKCKTR-UHFFFAOYSA-N 452.607 2.913 30 10 JFEE C=C(C)COCCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1722537886 HALKEUQNAQKWAB-YLJYHZDGSA-N 461.529 2.596 30 10 JFEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1722540229 ALGCCARGHQENLQ-NHCUHLMSSA-N 473.643 2.992 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1722598942 DCZWKVJVRMIYRL-MRXNPFEDSA-N 468.574 2.849 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C#N)CC2)cc1 1722702507 LUITVVAHWZWJCZ-KRWDZBQOSA-N 458.588 2.631 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1722702903 SYTKQVCOFWOFPF-RDJZCZTQSA-N 486.623 2.600 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)no2)C1 1722719487 VAUKRPXPKFRJJW-MJGOQNOKSA-N 474.562 2.713 30 10 JFEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1)OC 1726858652 BGVCCTZGNKUYJR-UWJYYQICSA-N 454.575 2.752 30 10 JFEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CCN1CCOC 1727981948 DMSORIQBKIBSIK-FQEVSTJZSA-N 466.615 2.962 30 10 JFEE CCCN1CC[C@@H](Cn2c(-c3ccc(OCC)c(OC)c3)nnc2N2CCO[C@H](C#N)C2)C1 1728120141 BWWPEQIJEOCRCE-UYAOXDASSA-N 454.575 2.813 30 10 JFEE CCOc1cc(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)ccc1OC 1728838840 CDSBCXPSHZSZBW-DEOSSOPVSA-N 470.549 2.883 30 10 JFEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1729777638 FBEGLWKIXUCOCA-PXNSSMCTSA-N 453.543 2.791 30 10 JFEE COc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCO[C@H](C#N)C2)cn1 1730162601 BEXBMISWOKIJGT-LJQANCHMSA-N 483.573 2.573 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@H]2OC)c1 1740564500 PAWGZIJEAYUINI-SIKLNZKXSA-N 494.621 2.742 30 10 JFEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1740571639 STLSJNHMXRIWFF-UHFFFAOYSA-N 461.545 2.959 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740617353 PWLSSBHOPIHAPC-LJQANCHMSA-N 460.600 2.678 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(C)OCCc2sccc21)[C@H]1CCS(=O)(=O)C1 1740625489 FYUHUCWEVXNGMD-JTSKRJEESA-N 462.641 2.653 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740626456 UUHYSYTXICWLTC-KOSHJBKYSA-N 494.608 2.961 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740626873 CWHXVNYBBJGVHM-VXKWHMMOSA-N 485.654 2.524 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740626925 XBKGNPFVEXAEQR-DVECYGJZSA-N 474.602 2.576 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCCC1(C)C 1740629420 MVNFPYJBOYKWSR-DEOSSOPVSA-N 453.974 2.876 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCC1CCN(CC)CC1 1740658335 KITSUIVLZLLOIM-UHFFFAOYSA-N 452.628 2.855 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCN(C)C(C)(C)C1 1740658408 IZGKRFPEWCZOJE-UHFFFAOYSA-N 462.642 2.963 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1740683358 DHQYKKDPNZVAHG-PCCBWWKXSA-N 466.586 2.929 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1740692872 QMYJWNSCMXXEBF-PXNSSMCTSA-N 475.435 2.862 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1740706796 DFRQVXGPAIKMLE-NRFANRHFSA-N 495.628 2.533 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1740725342 KRDNAKLXYBCNCF-KBMIEXCESA-N 468.577 2.713 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740737948 AISRQQPWKQCOGU-AWEZNQCLSA-N 498.403 2.534 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1740751693 NSLTVRPMYJHYQX-UNMCSNQZSA-N 492.628 2.771 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1740777499 FFZAFKIYLKWKQF-ZJOUEHCJSA-N 460.648 2.954 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C)C1CC1 1740908379 VWOLTUHWZZHMFE-UHFFFAOYSA-N 455.588 2.898 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2CCOC2)CC1 1740954877 HZOYXHAWYZGDLH-SFHVURJKSA-N 455.559 2.517 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1740965866 UEQJIQBTRPXPDE-NRFANRHFSA-N 464.614 2.791 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740987894 ZTMPSINVYXYFDA-JKSUJKDBSA-N 498.447 2.510 30 10 JFEE C[C@H]1CCCN(CCn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)C1 1741129000 HROYRBTWHJOTQM-ROUUACIJSA-N 458.636 2.566 30 10 JFEE CC(C)CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1741502071 IAKDPKVKHUUSSP-FNZWTVRRSA-N 489.628 2.828 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1746043863 HGFVGQKPYQVNFV-AREMUKBSSA-N 481.645 2.604 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(COCCOC)cc1 1748666790 IAUFZMHHVAZDCZ-KRWDZBQOSA-N 451.527 2.675 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)[C@H](C)CC 1748680721 WQVRKVOXLNZQHC-UFPGJGBJSA-N 452.647 2.898 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(SC)CCN(C)CC2)c1 1748694264 CJGQQJYLTSQMJG-UHFFFAOYSA-N 470.643 2.698 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1748699739 RMVDXIYMDVTGLT-UHFFFAOYSA-N 452.950 2.585 30 10 JFEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)COC)CC1 1748703723 YGWYZTJRORNULS-UHFFFAOYSA-N 490.402 2.815 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1748770798 GNKNZDOLMKDTPE-AREMUKBSSA-N 467.614 2.645 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1748803238 WNEAIUKKQIUGGT-LJQANCHMSA-N 457.600 2.793 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1748805756 VRIORIXFYCCYNY-MFWIUYSUSA-N 450.511 2.714 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1748810590 XXWPMZQJLGUXPM-MRXNPFEDSA-N 466.991 2.659 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@](C)(O)C1CC1 1748963093 YDCJWDQTTRLULO-DEOSSOPVSA-N 461.607 2.640 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCOc2ccc(F)cc2)CC1 1748972141 CHRMQMDTZQUCDW-UHFFFAOYSA-N 477.544 2.679 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[C@@H]2OC)CC1 1748979083 VGPDYMWRPOYWCQ-APWZRJJASA-N 461.408 2.616 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749027672 RMMUXMQLEVLOFA-LJQANCHMSA-N 477.993 2.932 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1749144032 RJGGWEZLKRGACT-HNNXBMFYSA-N 452.650 2.869 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749216678 RWERFGOHCQMENY-UHFFFAOYSA-N 465.602 2.992 30 10 JFEE C=C(C)COCCn1c(C2CCC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1749225452 GFBKUDDZBJEHGR-RTBURBONSA-N 477.606 2.888 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1749368822 RBPCZVJWIITPGT-PKOBYXMFSA-N 463.604 2.800 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749425238 ZGEWGBXPPDWQKE-GOSISDBHSA-N 463.586 2.851 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCOc3ccccc32)C1 1749697638 LURVZERVJYUQJW-GBESFXJTSA-N 475.615 2.626 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749723957 DNNAJWUWOOGBLE-YJBOKZPZSA-N 498.447 2.652 30 10 JFEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CC[C@@H](C)C1 1749787580 ACOFXRAHXQIKEQ-XLIONFOSSA-N 462.558 2.611 30 10 JFEE COCCn1cc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(C#N)CC2)cn1 1749854946 HMBBFLKEEXWLJL-UHFFFAOYSA-N 451.531 2.593 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2nnc3n2CCCCC3)c1 1760126706 GWZASIOJHKVWNV-UHFFFAOYSA-N 460.586 2.998 30 10 JFEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760147507 UPRDFOLHIDYAIF-GOSISDBHSA-N 461.385 2.748 30 10 JFEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760149816 FOMWXFXDJUIBDJ-UHFFFAOYSA-N 480.613 2.510 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1760180347 CMLSFRQIMNWWSW-CQSZACIVSA-N 488.358 2.708 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760183474 PNMWYYNJBOTJQU-HNNXBMFYSA-N 495.005 2.767 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1760202013 QGGWTKBXUDXKQO-UMSFTDKQSA-N 478.622 2.685 30 10 JFEE C#CCN(CC#CC)c1nnc(CC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760220123 WPSCRUUZKHTDSC-PCCBWWKXSA-N 455.603 2.964 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760246642 XOHADSOBZYUXNK-BGYRXZFFSA-N 455.603 2.928 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1760260575 YBZUGVNHCZNXLG-UHFFFAOYSA-N 461.570 2.726 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760276698 MELYQBHHVJDARF-UHFFFAOYSA-N 482.013 2.785 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cccc(C(N)=O)c2)nnc1[C@]1(OCC)CCOC1 1760327347 GLGZFJLRFLHLGI-CZSZKKDXSA-N 469.586 2.647 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2Br)C1 1760341553 JAGDIRYXUFWTJB-PBHICJAKSA-N 484.420 2.805 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760411871 FMSUNIWDDOSDSC-ZWKOTPCHSA-N 452.621 2.557 30 10 JFEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1760433404 FHCCXDINJJODEH-UHFFFAOYSA-N 461.408 2.932 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1760525153 WKGZKHKEJLHVTC-UHFFFAOYSA-N 498.534 2.750 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760527789 IVSGOBFZVZFZOO-CRAIPNDOSA-N 483.491 2.714 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@@H](Oc3ccccc3Cl)C2)nnc1[C@]1(OCC)CCOC1 1760529060 VZRDODIKXIBVGF-HXOBKFHXSA-N 475.977 2.544 30 10 JFEE C=CCSCCn1c(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1760568436 JAZNQBJATUPDPJ-IKGGRYGDSA-N 499.703 2.621 30 10 JFEE CCCN1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1764402945 AOQVRNHVFLNRLE-CTNGQTDRSA-N 451.575 2.608 30 10 JFEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1768513763 AAMQRVUIRNSYJN-XMMPIXPASA-N 450.566 2.532 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1770659604 FOFINFSHEZWFGU-PZJWPPBQSA-N 473.599 2.530 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(C)ccc12 1771112015 DCHYCVGAJQWWQM-IBGZPJMESA-N 470.599 2.579 30 10 JFEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OCC)cc2)SC1=Nc1ccc(S(N)(=O)=O)cc1 1772721591 NVSHFNPTBSJVPK-LJQANCHMSA-N 488.591 2.879 30 10 JFEE CCN(CC)CCCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651581 YYZNAWXLAMRUNM-UHFFFAOYSA-N 485.610 2.598 30 10 JFEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 1858657898 MDXCFZWAQDECFZ-UHFFFAOYSA-N 481.530 2.795 30 10 JFEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614165 VOSPLWVUMFLWAP-MJGOQNOKSA-N 455.942 2.731 30 10 JFEE CCOc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O 1862563873 MXJXWCNKGMGRCN-QHCPKHFHSA-N 481.549 2.674 30 10 JFEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1F)c1ccc2c(c1)OCCO2 1862607801 XNFKWTUKXZDOOR-QFIPXVFZSA-N 486.471 2.647 30 10 JFEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862608937 ZJLNQSYHJDSMHH-QFIPXVFZSA-N 466.490 2.571 30 10 JFEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1O 1862632239 LWBMFOVARIUMSL-BTYIYWSLSA-N 483.473 2.895 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 1862675245 FPMKHTXTFKKVTO-OAQYLSRUSA-N 454.454 2.828 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@@H]1c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 1862740755 WHNMLURZJZTDID-OAQYLSRUSA-N 493.472 2.884 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C)nn2Cc1ccccc1F 1865227330 HGWSEZUOBMVAGH-HSZRJFAPSA-N 490.535 2.841 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1ccccc1C 1870582354 YTVQVKDNAGXDCY-UHFFFAOYSA-N 451.567 2.617 30 10 JFEE C#CCOc1cn(CCCCCO)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871006061 NKPVLFVSOBIHMC-UHFFFAOYSA-N 482.625 2.707 30 10 JFEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873595192 SCBZJIKLGKCAFB-UHFFFAOYSA-N 483.617 2.502 30 10 JFEE COCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccc(OC)c1O 1874506101 NRVNPANVSVBDMF-AQXNZCSYSA-N 455.540 2.990 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)CCN(Cc2ccccc2)C1 1880053765 CRXYXYSMWAOGMO-RUZDIDTESA-N 465.506 2.910 30 10 JFEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC(CN(C)c3ncccc3C#N)CC1)CS2 1890208538 GXAYMJFQPRPPTG-IBGZPJMESA-N 452.584 2.539 30 10 JFEE N#CC1CCN(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)CC1 1891735422 DRQZMNAEBQZAMB-JOCHJYFZSA-N 475.014 2.581 30 10 JFEE CC(C=NN=C1S[C@@H](CC(=O)NCC(=O)O)C(=O)N1Cc1ccco1)=Cc1ccccc1 2041467616 DLZGYZUAZLZQDD-SFHVURJKSA-N 454.508 2.760 30 10 JFEE C#CCCN1CC[C@@H](NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2139351783 GYKIFUNWVCKIBJ-JOCHJYFZSA-N 454.615 2.760 30 10 JFEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180961600 QXJUNSROXYJVRV-LJQANCHMSA-N 462.396 2.574 30 10 JFEE C[C@H](C[S@](C)(=O)=NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255841372 BBYUJUWWXSOFFB-VEWZGRNOSA-N 473.426 2.594 30 10 JFEE Cc1cnc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2255869167 XTNHJAXVPMZQIH-UXHICEINSA-N 465.359 2.876 30 10 JFEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256623184 PLDBQGXWSRQVBS-CQSZACIVSA-N 451.398 2.848 30 10 JFEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258889933 AFMJPXXYXQEYBS-DZGCQCFKSA-N 451.398 2.960 30 10 JFEE C[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2258891794 NRTZPMRGXGSNCM-DZGCQCFKSA-N 451.398 2.960 30 10 JFEE C=CCCC1(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)CN(C(=O)OC(C)(C)C)C1 2266316505 YQRKLOIVVHTZAS-ZWKOTPCHSA-N 467.607 2.924 30 10 JFEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267164376 QUAWYXLPXKZYCZ-HNNXBMFYSA-N 466.409 2.803 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267195982 MWTQNIDSENWMHM-RBSFLKMASA-N 463.409 2.818 30 10 JFEE COC[C@]1(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2267278759 BXOBOIMPCGXLJW-QFIPXVFZSA-N 466.409 2.803 30 10 JFEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267369784 BJMRPHIJVRMILA-INIZCTEOSA-N 468.425 2.910 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]34C[C@@H]3CN(Cc3ccccc3)C4)cc2)OC1(C)C 2267378006 MAPUGVDUBPKCFN-DVECYGJZSA-N 454.401 2.539 30 10 JFEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2267480085 UPKRYGQMIYWCTF-PEBXRYMYSA-N 463.409 2.819 30 10 JFEE 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C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539520408 QRSQOSIQFREEKN-JOCHJYFZSA-N 470.662 2.979 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1539580619 ZBXNBENVHXPAQM-LLVKDONJSA-N 472.185 2.622 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539580672 ZKFOMJCYSVOWEH-OAHLLOKOSA-N 484.420 2.935 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539637677 SOFJTGVONNCGBI-NZQKXSOJSA-N 491.633 2.755 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ncnn1CC(F)F 1539646725 SWPLOGSXCWKHNB-UTKZUKDTSA-N 475.548 2.614 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539666893 BFWLWKKBQNWZRL-VQTJNVASSA-N 452.559 2.797 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1CC)C1CC1 1540098922 MMGNFSZZHZMQMG-HXUWFJFHSA-N 458.632 2.835 30 10 JFEE Cc1nnc(CCn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)s1 1543112452 GVRNFUUVYKFQHS-UHFFFAOYSA-N 451.604 2.863 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1544936648 BSAKYHNAGVRMAX-LJQANCHMSA-N 452.573 2.634 30 10 JFEE COc1ccc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@]3(CO)C2)cn1 1548365613 FQGAYPIETDIZGN-HTAPYJJXSA-N 460.456 2.942 30 10 JFEE C=CCN1CC[C@H](N(C)CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1=O 1559792930 XSQBPNMJNJDXME-DEOSSOPVSA-N 457.578 2.933 30 10 JFEE C=CCO[C@H]1CCN(C(=O)NCc2cccc(-n3cc(CNC(=O)OC(C)(C)C)nn3)c2)C1 1565148452 HRPJDKGESQBSLC-FQEVSTJZSA-N 456.547 2.779 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccsc2)c1 1587692658 HQWHVWGAPGLKFU-HOYKHHGWSA-N 465.579 2.807 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1588039969 GTLOCBVCPOYQRI-FQEVSTJZSA-N 453.568 2.809 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588069541 QECOROBWNNGMLF-JOCHJYFZSA-N 485.654 2.668 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1588148909 AHWOPSOJXGXBHV-JOCHJYFZSA-N 454.578 2.606 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2csc(CC)n2)CC1 1588872015 VHBAPVTYIXKREU-UHFFFAOYSA-N 466.611 2.883 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCS2)CC1 1588891348 OBQOUBFHXXQVEM-HYBUGGRVSA-N 475.659 2.570 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)OC)CC1 1588891515 PMOKGXGIWKCQJQ-HNNXBMFYSA-N 460.376 2.708 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1588930163 OVFJPDVYEBKEJM-NBGIEHNGSA-N 457.619 2.561 30 10 JFEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](OC)C(C)(C)C1 1589096439 CUZXKKDVRUYCOP-QHCPKHFHSA-N 482.698 2.870 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1589316436 BTIOECYALDEPBK-HNNXBMFYSA-N 470.349 2.775 30 10 JFEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1593747339 UVXKTTZOKNZINU-UXHICEINSA-N 454.575 2.933 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1594668201 FPOCOUFKBQHILH-UHFFFAOYSA-N 452.588 2.979 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1594760715 NTOJIEKXMKATQJ-NHCUHLMSSA-N 482.677 2.732 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C)s1 1595184927 HDKYQIWPYNQSKZ-UHFFFAOYSA-N 459.601 2.582 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCO[C@H]1C 1595239803 SVJUACYTWAHCAB-OFVILXPXSA-N 450.587 2.915 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)C1 1595664758 JMUMWNJYRDAEJL-GOSISDBHSA-N 453.522 2.571 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(F)cc2)C1 1595721940 IBNCROWPCMXSRY-XLIONFOSSA-N 464.563 2.570 30 10 JFEE CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1626657621 AFFJRQOSTPQAIX-GOTSBHOMSA-N 456.612 2.835 30 10 JFEE C#C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1629887093 JFPSFYGAZFQJHE-QGZVFWFLSA-N 452.914 2.532 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1634267799 FIMMYZWJYHIPDO-KDOFPFPSSA-N 454.365 2.858 30 10 JFEE C[C@H](CC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1634659281 DPFCSSUORZBSHY-DYESRHJHSA-N 454.596 2.531 30 10 JFEE C=CC[C@@]1(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)CCCN1C(=O)OC(C)(C)C 1637125638 UPHVSRXCVDPYON-QKKBWIMNSA-N 451.955 2.876 30 10 JFEE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1637908754 HFBNIHPKZZFKQK-UHFFFAOYSA-N 455.584 2.726 30 10 JFEE CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)N(CCC#N)CCCN(C)C)cc2)CC1 1659397526 FXDCIBMHCWHPKK-UHFFFAOYSA-N 457.575 2.801 30 10 JFEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1659670759 IXMLBEYFWXRHFT-RTBURBONSA-N 457.579 2.907 30 10 JFEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1occc1C(=O)OC 1662171386 SJPIQMGSRIUCNR-HNNXBMFYSA-N 454.298 2.976 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 1665970245 XYHIKINBJZTLED-IRLDBZIGSA-N 459.568 2.850 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)N2CCN(CCC#N)CC2)c1 1667024606 BTWWOLSFPCAPRZ-UHFFFAOYSA-N 451.593 2.567 30 10 JFEE N#Cc1ccc(Br)cc1S(=O)(=O)NC1CN(C(=O)OCc2ccccc2)C1 1669671616 ASILSPKLZJDUGG-UHFFFAOYSA-N 450.314 2.620 30 10 JFEE C#CCN(C(=O)NCC(C)(C)N1CCC(OC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1679309176 UJUVCXAYEFZPDK-UHFFFAOYSA-N 450.624 2.920 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1689995841 BAMJBEQVAKRQCW-ORFBVSJDSA-N 486.638 2.997 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CC1 1690048117 CXMDIXXMXINWBJ-HXUWFJFHSA-N 471.602 2.866 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)c1nccs1 1690104160 OGYJIFXZHQWPGS-SFHVURJKSA-N 466.615 2.798 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)n1 1690108989 BVSOWWISYMCUEZ-NWSQWKLXSA-N 497.644 2.553 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC(OCC)C2)CC1 1690111560 FIFISXXVBNKURW-AGHUKTAOSA-N 467.614 2.720 30 10 JFEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1690126244 XCRKLLLMVSVJTL-JOCHJYFZSA-N 464.658 2.891 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(CC)nn(C)c2CC)CC1 1690134932 LLBQCFNWFUJTFB-AUSIDOKSSA-N 467.662 2.859 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1690188735 OBWZCTDSXXOGHL-YADARESESA-N 469.611 2.964 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCC(NC(C)=O)CC1 1690218278 BAGKTIKJFCBGIQ-UHFFFAOYSA-N 469.428 2.989 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690225075 ZHGPTXWSZNTYFG-MRXNPFEDSA-N 499.431 2.892 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690235052 VKDGDNDKSKFOHC-QLFBSQMISA-N 467.368 2.686 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnccn1 1690239281 UNFKPAXYBNZWNW-UGKGYDQZSA-N 497.625 2.603 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1690243263 IWTGDMILGSFQRY-ZVDOUQERSA-N 455.607 2.793 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690662006 OBUKZXKDRJMEDS-UHFFFAOYSA-N 492.584 2.552 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CCOC(C)C)CC1 1690663316 SCLYMXJUEARHAC-LJQANCHMSA-N 486.686 2.981 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1690667948 NIDHXTOIFYAJEL-UHFFFAOYSA-N 491.571 2.623 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)cc2F)C1 1690684843 PPOMNPFNBHMDAF-SFHVURJKSA-N 452.490 2.903 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1690724108 IEVIWVCYMGZSPC-QFIPXVFZSA-N 488.654 2.595 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)C1 1695974743 HFXUFRHSKAYTQJ-HXUWFJFHSA-N 461.526 2.984 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 1705534277 DBVJFXZFUMBJDA-HXUWFJFHSA-N 499.591 2.861 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCOCC1CCOCC1 1705544249 JQTYXGQHCVQLAW-UHFFFAOYSA-N 450.381 2.949 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCCN1CCC(O)CC1 1705578671 BMHLMZUKVDRCBC-UHFFFAOYSA-N 456.388 2.627 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1c(O)nc2ccccc21 1705590242 GKMQNYLLKCHYCM-RUZDIDTESA-N 462.554 2.537 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)NC)CC1 1705705138 DHBMVIZNDRMJHW-PGRDOPGGSA-N 486.642 2.603 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705708428 CHZKZARMQMEACD-PFATUAPWSA-N 483.613 2.796 30 10 JFEE C=C(C)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728689 SGEKGTYQIAMRRD-YDIMBITNSA-N 460.623 2.926 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705731459 YGYHSIXVYBRMLA-RBUKOAKNSA-N 485.585 2.811 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705736387 QONSCPANQMMNEJ-LJQANCHMSA-N 459.558 2.618 30 10 JFEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1705737293 NUCWIYGKKLZRRG-PZJWPPBQSA-N 493.630 2.701 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705744522 GIISZYFAWUFEGC-UHFFFAOYSA-N 454.044 2.952 30 10 JFEE C=CCCCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1705823071 AIBVBFZSEGUKBR-HXUWFJFHSA-N 459.513 2.791 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCCC2)C1 1705909109 NJKVGNZCDLTFAP-SFHVURJKSA-N 474.606 2.802 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1705909219 QJBBVBGDNCFACD-SFHVURJKSA-N 457.579 2.782 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1705927174 SBFXKOFHOAQZTH-KCEHZKJRSA-N 451.596 2.972 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1705931471 QRPYNCVEVZBSDC-IBGZPJMESA-N 488.614 2.766 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1705940557 IPCKQIQPCXULRB-UHFFFAOYSA-N 483.436 2.686 30 10 JFEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705946432 HOQZPNDSNWOJNT-UHFFFAOYSA-N 499.591 2.887 30 10 JFEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1706753396 BZRUMYIKHBALBW-LPHOPBHVSA-N 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453.609 2.731 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722752101 WMLICFTYRXYNIU-HRAATJIYSA-N 476.599 2.567 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1728355370 DHVLMOALRNXCDK-XUZZJYLKSA-N 493.656 2.870 30 10 JFEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccsc2Br)CC1=O 1729597685 COAJSIDUNGCROB-UHFFFAOYSA-N 457.357 2.967 30 10 JFEE COCC[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730637377 DQJQOZNNXOYFAZ-AREMUKBSSA-N 491.596 2.546 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1740589550 BNEPNYREGCPCBO-GOSISDBHSA-N 479.647 2.819 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740619563 PFVYGZNYQZWQPQ-JOCHJYFZSA-N 497.665 2.783 30 10 JFEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1740717455 SKGBYOORIOAGHA-IBGZPJMESA-N 453.678 2.674 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1740731682 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10 JFEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1COC[C@H]1C(=O)O 757411229 LARZYEZMIBDCAP-VJBWXMMDSA-N 477.517 2.803 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2C1=O 853260720 FWNOEESVBZOYSS-CABCVRRESA-N 464.474 2.663 30 10 JFEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccc(Cl)cc3F)n2N)cn1 1084471465 UWMYMZWJNKCULG-UHFFFAOYSA-N 451.919 2.739 30 10 JFEE COC(=O)c1cn([C@H]2CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)nn1 1138069187 HFTPXZPNQOTJFU-KRWDZBQOSA-N 456.934 2.670 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 1150703564 PTXLBYOVKCJANR-FUHWJXTLSA-N 451.589 2.916 30 10 JFEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1162480830 UGXVXRYSUOSKGF-AOMKIAJQSA-N 458.990 2.748 30 10 JFEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)c(C)c1 1209861076 CRYWQRWSDSDNPZ-SFHVURJKSA-N 459.543 2.756 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CC=C)c1 1286310722 GKPNHNWFPAKJCH-IBGZPJMESA-N 469.611 2.839 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1286391170 CTWRAJKMLVJGEL-IRLDBZIGSA-N 472.611 2.706 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1286397135 RNKWAJUDZAEORY-HSALFYBXSA-N 460.575 2.930 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCC(OC)CC1 1286464229 XFTNNOHPGGHMIL-UHFFFAOYSA-N 450.587 2.792 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCC(F)(F)C2)n1 1286472079 USHYJHKWFMIWTH-AZUAARDMSA-N 489.571 2.928 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](CCOC)C1 1286496252 BWGURKDLKUIHDQ-SFHVURJKSA-N 476.672 2.776 30 10 JFEE C=C(Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1286618586 DKDHSIIOGVRZRI-REWPJTCUSA-N 460.600 2.657 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2cc(CO)nn2)CC1 1286654135 BANBQWLKJZIGAK-UHFFFAOYSA-N 475.395 2.623 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286832957 RTLJLOYIMHEQRF-BHDDXSALSA-N 490.718 2.908 30 10 JFEE C[C@H]1CCCN1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 1291136651 BBMNPJLERNCMJQ-YADARESESA-N 485.658 2.810 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)c1 1294048808 RFDFAQFIXCJDPO-KRWDZBQOSA-N 458.502 2.747 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2s1 1300311334 SBRKIMHJHCGHOS-QFBILLFUSA-N 473.624 2.526 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](c2ccco2)N(C)C)c1 1300333163 XUUCOHZPRGIYEP-NRFANRHFSA-N 470.537 2.687 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1N(C)CCCC1(C)C 1300545974 ZKQJTYYZSLKFBV-SANMLTNESA-N 487.696 2.836 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1300579321 POCBYCGPTZMQCZ-KBMIEXCESA-N 450.587 2.979 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1300708658 XMBOCYVXQZRTCZ-DEOSSOPVSA-N 494.684 2.757 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1301339128 HJTBNFMCOBULIB-GHTZIAJQSA-N 455.584 2.671 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1301457888 FIQCTSXTFNPZOQ-SFHVURJKSA-N 462.595 2.515 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1301530256 QZBUALIUXIDTFF-JPYJTQIMSA-N 477.631 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301568377 FWHCVUFBIVUMKA-AOMKIAJQSA-N 496.033 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1301578773 IIYUARRDVQJRCV-UHFFFAOYSA-N 462.526 2.727 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1301592661 BFTRRJWDHAPDEY-LJQANCHMSA-N 477.606 2.662 30 10 JFEE CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)N1CCCC1 1303806192 DEPVTPOUVSJCDH-WIYYLYMNSA-N 473.647 2.517 30 10 JFEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1304719056 CGBXCTHZNVHDEA-UHFFFAOYSA-N 458.526 2.827 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)cc1 1350626722 WELCAYSNOHAVCP-FCHUYYIVSA-N 459.616 2.679 30 10 JFEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1358911321 QLPNPPZRSPKGIU-QGZVFWFLSA-N 454.575 2.940 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1358912216 LFDSGOJPCNECJH-QFIPXVFZSA-N 466.611 2.865 30 10 JFEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1358935080 WLMNDGSPFGMRTH-HNNXBMFYSA-N 453.440 2.914 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1358949675 KDHWCOADTIZMHJ-IAGOWNOFSA-N 478.594 2.569 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)N[C@@H](C)CC)CC1 1359034416 PZRIZFDLWAAUKD-IBGZPJMESA-N 461.570 2.660 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)CN2CCCC2)CC1 1359038671 FDFQCWKNTIDWMD-QFIPXVFZSA-N 450.631 2.961 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1359060828 IXOBSBSSTZHSRB-UHFFFAOYSA-N 469.032 2.890 30 10 JFEE C#CCSCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359062071 VNGBLVOADWMDTD-DEOSSOPVSA-N 487.601 2.677 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2cncn2)C1 1359089585 LIOZESLGYFSEPD-HOJAQTOUSA-N 456.595 2.611 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359090212 XFTJSXGYVNILST-OPYAIIAOSA-N 472.634 2.673 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359102756 FMUXNVVSFVTTEC-IPJJNNNSSA-N 488.633 2.875 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359106358 BGLZQTKOQFFZPQ-WKULXVSPSA-N 460.497 2.751 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359118633 SLVQDISGFWMYSM-UHFFFAOYSA-N 455.531 2.888 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359295169 SDKKXIXCMIWABF-INIZCTEOSA-N 472.615 2.855 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1359318546 HIXYGZFMNRPKSY-NRFANRHFSA-N 464.570 2.580 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCC(C)CC1 1359330963 ICXJKFPQTNBVGQ-UHFFFAOYSA-N 494.687 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1359331411 XUPLPAMQLMFTPF-LJQANCHMSA-N 474.974 2.567 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359649063 GZVLIAIATHRQPQ-SQJMNOBHSA-N 450.587 2.966 30 10 JFEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)OC 1463937498 GBWKGJWNWSOUOK-FGZHOGPDSA-N 452.507 2.510 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)cc1 1464842924 HILMBYTZKCUGJK-UHFFFAOYSA-N 451.432 2.782 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c1 1465872797 ZKFIUBUXDVCPGI-GOSISDBHSA-N 459.568 2.885 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507629800 WKNPSMZHUNALFH-BVYCBKJFSA-N 456.612 2.807 30 10 JFEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 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30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1539331386 OAKCFNSJBKTMOK-HXUWFJFHSA-N 468.602 2.511 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CSCCS2)CC1 1539484466 PZJAJWZJJUIRJD-QFIPXVFZSA-N 499.706 2.886 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1539637312 PFZCSDLKLQPJQK-WMZHIEFXSA-N 474.005 2.799 30 10 JFEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539859775 UQSVSQCDHVJHON-IBGZPJMESA-N 459.616 2.857 30 10 JFEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1539945831 UKIQGUZEHSAYDT-SFHVURJKSA-N 484.626 2.809 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1540137309 QVMXWTHGDUXAFP-SFHVURJKSA-N 453.522 2.657 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C)cc2)CC1 1540866194 FZYSGISQLHDLKL-UHFFFAOYSA-N 451.962 2.931 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C 1540871859 VPEKZGHONCXWPR-ZWKOTPCHSA-N 462.595 2.514 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1nncn1C 1540898236 DMUDWICMNFRYJC-UXHICEINSA-N 469.615 2.891 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1545533251 GFKDZUFFEGYRJJ-MSOLQXFVSA-N 474.606 2.954 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1547355935 CLEFVEVKPTUGPV-LJQANCHMSA-N 454.556 2.678 30 10 JFEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1547776507 IDLIJBIBIGGFPE-RTBURBONSA-N 455.538 2.718 30 10 JFEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1548315879 BNANVQLTOLVEOG-UHFFFAOYSA-N 488.614 2.556 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)c2ncccn2)CC1 1548397367 OGSGTKGQCFXQST-RBUKOAKNSA-N 486.498 2.718 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2cc(O)c(OC)cc2C1 1558394527 HJTFWCAFRPXFEI-SFHVURJKSA-N 457.552 2.583 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1csc(COC)n1 1587638006 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C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595804507 AOEUIVPUTXVZAK-SFHVURJKSA-N 474.562 2.684 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1595837730 CDCFEEIZMUHHPG-MUGJNUQGSA-N 452.621 2.619 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1596830781 FCDUSVBWHCNFQW-QWHCGFSZSA-N 472.434 2.843 30 10 JFEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)OC 1614400953 AAFNJCDDXBDXPY-CTNGQTDRSA-N 474.631 2.740 30 10 JFEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1615439462 HNAUEMCEBMNDGF-UHFFFAOYSA-N 463.565 2.804 30 10 JFEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2nccs2)C1 1616578374 HXHABTKQWDCCAD-UHFFFAOYSA-N 454.556 2.752 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc1 1628352968 MMMKPULBZIZMRT-UHFFFAOYSA-N 459.325 2.799 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1639688710 ZJQUFXWMKDXSCU-UOKFIYJESA-N 450.535 2.983 30 10 JFEE C#CCNC(=O)C1CCN(CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 1642861963 NVLRJZNWFGPXMD-XMMPIXPASA-N 453.608 2.866 30 10 JFEE COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1644240516 ATQQGLCBPHSDPU-LIEFOEBCSA-N 457.914 2.820 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 1653032596 FGPLGONWBCIDMH-DEOSSOPVSA-N 456.543 2.929 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1689841690 MBQVBJMITPUVET-KXBFYZLASA-N 467.492 2.683 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C1CCCCC1)N(C)C 1690008689 MJUAXUFAXGQALZ-HSZRJFAPSA-N 457.586 2.504 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2csc([C@@H](C)OC)n2)CC1 1690115116 SITBCVXDGIRVGJ-MRXNPFEDSA-N 467.555 2.821 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCC[C@@H]2CC)CC1 1690115131 TZVOZPCELJYYIH-NRFANRHFSA-N 451.575 2.873 30 10 JFEE C#CCSCCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690166061 SUZAGTABKHUDCO-NZQKXSOJSA-N 466.655 2.690 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690234538 HOKMATTXBGUUBC-OAGGEKHMSA-N 497.438 2.920 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1690558027 BSWUXMDELVZOBB-JOCHJYFZSA-N 463.586 2.739 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1690683651 QLBLAGMUJKOFNX-UGKGYDQZSA-N 489.642 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690718963 COAZZCMHDQCQNU-OAHLLOKOSA-N 464.897 2.967 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1705492945 ZXFIUOIUJJTUMC-GOEBONIOSA-N 466.991 2.747 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCCCC2)c1 1705504236 QMLFTEBHDLHVMS-FQEVSTJZSA-N 479.629 2.595 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705560875 LNBXXRDSFZIOTR-FPOVZHCZSA-N 495.653 2.692 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705561989 WWAYBUHQBLOGHB-GBXCKJPGSA-N 474.627 2.768 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(C)(C)O 1705623735 BXDLZKFGOPHQJM-UHFFFAOYSA-N 451.365 2.963 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705633006 HGTWILDGQWSTDA-ZDXQCDESSA-N 467.614 2.842 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCCN2CC)CC1 1705651501 YWZWFAGQDKAMND-JOCHJYFZSA-N 482.604 2.836 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC(C)(C)[C@H]1C 1705661992 MWWGAJPSBBPZRV-GOSISDBHSA-N 455.632 2.822 30 10 JFEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705663486 JTRIWJGTVLSVSD-UHFFFAOYSA-N 486.667 2.508 30 10 JFEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705664383 ZZUWFDOMFRAYME-FQEVSTJZSA-N 462.641 2.670 30 10 JFEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1705679193 FDUDTHLMQNTJKF-UHFFFAOYSA-N 493.793 2.581 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705683419 HKCUUQSISJERBG-AWEZNQCLSA-N 452.378 2.985 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1705707117 FKGBJQGLQXTDFX-UFPGJGBJSA-N 489.661 2.995 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](SC)C(C)(C)C)CC1 1705781613 DKNCXZYHEIUMMG-ZWKOTPCHSA-N 471.693 2.791 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1705786613 TYMQDTUDPRTKOD-INIZCTEOSA-N 484.667 2.984 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCc2c(ccnc2O)C1 1705896398 LILIDDXZANJSIM-UHFFFAOYSA-N 469.343 2.673 30 10 JFEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1707542533 CTUJNAYJXVUEAV-QPPBQGQZSA-N 456.566 2.964 30 10 JFEE C[C@H]1CCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708152644 GMFMHJCJHCEMCU-RHGYRFJNSA-N 452.607 2.795 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)c1 1711703135 IATBKJLASOBZQT-VXKWHMMOSA-N 454.575 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30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)cc2OCCOC)CC1 1722447705 MVBJTJUHJSHVHQ-HSZRJFAPSA-N 495.624 2.520 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCc3cc(OC)ccc32)CC1 1722450508 KSLDEJVBMCAVOW-OAQYLSRUSA-N 465.598 2.909 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722450994 VBRYMSXVHMBZTJ-IBVKSMDESA-N 465.598 2.682 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OCC)c(OC)c1 1722466644 BUDSGCWLQPXYDY-IVZQSRNASA-N 496.033 2.989 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)(C)C)CC1 1722568232 ZTYSBQPQSFHLKN-GOSISDBHSA-N 476.622 2.905 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722584757 WXDJINXJYMCBBG-UHFFFAOYSA-N 488.600 2.768 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1722597058 QATBZAWOSXHUHS-ZLNRFVROSA-N 453.587 2.873 30 10 JFEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C(=O)NC)CC1 1722626841 HDAUWXRIFFMYKX-UHFFFAOYSA-N 490.649 2.948 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1722671792 CDGLZHUQQDRUPC-QFBILLFUSA-N 465.570 2.940 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722683792 VROVTOWXOQDNRX-UHFFFAOYSA-N 458.613 2.622 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)[C@@H](C)[C@H](C)O3)C1 1722710412 IIUYXGTUVOOWNT-LSTDLKDCSA-N 475.615 2.602 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)NC(C)C)C1 1722719771 ZQSPPCTWYUDIPZ-IBGZPJMESA-N 476.622 2.699 30 10 JFEE C[C@H]1C[C@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)C1 1726460446 ANPYBYXACRTIQG-OALUTQOASA-N 458.632 2.666 30 10 JFEE CN(C)C(=O)CCCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729299657 DFYQJUVSQDABGD-UHFFFAOYSA-N 462.533 2.546 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1730401750 HGJJUNOMWXQYRA-SCZRWQTQSA-N 466.586 2.752 30 10 JFEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1730730553 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457.550 2.635 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1286592563 LGMNZYOZCPRXBX-WMZOPIPTSA-N 468.526 2.936 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1286725467 UQGPIPHNNDVVJA-SFHVURJKSA-N 467.636 2.840 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)C1 1286809992 MTVRELHJCGOFCS-FNAHDJPLSA-N 479.691 2.720 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1286821323 HKTNBNSTJIUUGA-LJQANCHMSA-N 454.543 2.934 30 10 JFEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCOCC2)C1 1287136665 DHWJBRDYPXYCSB-UHFFFAOYSA-N 454.600 2.691 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCOCC1 1300268511 RIJZXUDFQPBHEV-WIYYLYMNSA-N 473.021 2.676 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc([C@H](C)OC)n1 1300305438 VQDPHPRMRHJKTA-CABCVRRESA-N 463.567 2.862 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 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477.606 2.577 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1595551940 YNWHEYZKCNSNCA-AQNXPRMDSA-N 488.633 2.905 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCOC(C)(C)C 1595777003 GXBRINJYJMTPGC-UHFFFAOYSA-N 464.588 2.568 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1595895251 IPBXBOJCVULGIZ-UHFFFAOYSA-N 474.606 2.794 30 10 JFEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)C1 1597448684 FYSNWEZLECNYLU-UHFFFAOYSA-N 479.585 2.775 30 10 JFEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1)N1CCOCC1 1597780186 BZNINSYQJVBXJC-UHFFFAOYSA-N 482.629 2.828 30 10 JFEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1611583660 HMTQGBAMPDCKKJ-NQIIRXRSSA-N 472.615 2.545 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 1632752002 BCTYAEWBIPTYTP-QGZVFWFLSA-N 459.531 2.880 30 10 JFEE C=CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1634302387 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468.558 2.970 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2cnnn2)C1 1705920187 RZPHTRGBJZDHGO-CYBMUJFWSA-N 465.381 2.627 30 10 JFEE CN(C)C(=O)COc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC(CC#N)CC2)c1 1710991279 HVYTUGHPECSLSO-UHFFFAOYSA-N 473.581 2.909 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1722309303 MHYKLFJJWJCQKL-NRFANRHFSA-N 471.565 2.619 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722358542 CTTXPQRKLPRWJJ-REWPJTCUSA-N 469.655 2.866 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722364303 FQJKOUXEKBDYGD-HXUWFJFHSA-N 491.683 3.000 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1cccc(COCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1722365975 GQMSQHKHYJPCMI-GOSISDBHSA-N 470.517 2.594 30 10 JFEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1722417098 VCDASGRZYGNAFC-DEOSSOPVSA-N 455.628 2.833 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@H]1C(C)C 1722426248 DTOXFZGPAMYLOW-ACRUOGEOSA-N 491.633 2.734 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCCCC2)CC1 1722435172 HTLZODBEOHZIRL-UHFFFAOYSA-N 457.420 2.949 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCc2ccc(OC)cc2)CC1 1722448636 FJMWDTVXBNIJAS-UHFFFAOYSA-N 472.593 2.871 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCCC2)CC1 1722449405 IZEFYGFTJWZJCL-UHFFFAOYSA-N 464.614 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@@H]2C)CC1 1722450746 PZRZQAHNHKNWKX-AZUAARDMSA-N 469.561 2.635 30 10 JFEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722461848 IBKNULQCUONFIY-ZEQRLZLVSA-N 495.741 2.928 30 10 JFEE C#CCSCCn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1722463745 LMYVQULUNDJMML-MBSDFSHPSA-N 479.647 2.790 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1722475538 VFKAVTUHDPNQGZ-HYBUGGRVSA-N 489.617 2.720 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1722492747 UKIFZRZTWOEGTL-UFYCRDLUSA-N 481.663 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CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1OC 1767537733 AMXZKEQWTSGXDD-CLOONOSVSA-N 485.608 2.820 30 10 JFEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1)CC(F)(F)F 1768911541 FHLWMRMTKZPXHR-UHFFFAOYSA-N 475.519 2.806 30 10 JFEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1N(C)CCCC1(C)C 1769844999 FVACBJITEGNKSW-QFIPXVFZSA-N 495.676 2.939 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1772660389 KSSRNEWHKZJQCV-UHFFFAOYSA-N 486.516 2.902 30 10 JFEE COc1ccc(S(=O)(=O)Nc2ccc(N(C)S(=O)(=O)c3ccccc3C#N)nc2)c(C)c1 1858267118 UYOMIGUMCXQHLF-UHFFFAOYSA-N 472.548 2.896 30 10 JFEE Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)c1 1858453581 SNKZDLYEXGKECD-UHFFFAOYSA-N 497.602 2.573 30 10 JFEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862405662 SAOJTGQLZWVOMX-HSZRJFAPSA-N 494.544 2.701 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCCCO)cc(OC)c1O 1862565153 QPWXWKSKGPQHEZ-HXUWFJFHSA-N 456.495 2.733 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1O 1862678538 SKSYWOQWZINHSP-JOCHJYFZSA-N 470.497 2.841 30 10 JFEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(Br)cc2)cc1OC 1870098366 ASUNSQCMQYGYQY-UHFFFAOYSA-N 464.301 2.719 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@H](C)O)c(CSCC)cc2=O)nc1C 1870227396 WPEAPTFHNFZGRX-ZDUSSCGKSA-N 481.596 2.607 30 10 JFEE COc1ccc2c(c1)c(/C=N/n1cnnc1SCC(=O)NCc1ccccc1)c(C(=O)O)n2C 1873505413 NFFNLZKHPQZAMR-RPPGKUMJSA-N 478.534 2.767 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873593263 LKWQUBFMCATZKD-UHFFFAOYSA-N 490.589 2.831 30 10 JFEE COc1ccc(N2C[C@H](c3nnc(SCCCO)n3/N=C/c3ccc(OC)c(O)c3)CC2=O)cc1 1874200815 LEYLTWDXQJJFEE-NFXIUMSZSA-N 497.577 2.878 30 10 JFEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(N(C)C)cc2)cc1OC 1874219078 TXRYJONUQJTPKB-AFUMVMLFSA-N 468.583 2.606 30 10 JFEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2cc(C)ccc2O)cc1 1874219995 PBRUBVDOCAFXSZ-ZMOGYAJESA-N 455.540 2.772 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874431248 HTXOIXYQCKNNNV-BHGWPJFGSA-N 466.523 2.534 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874432837 ZZRUZJKPEYKFCS-FOKLQQMPSA-N 467.511 2.744 30 10 JFEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(C(=O)OC)cc1 1874474433 CRTKUYPWUNKWHD-MFKUBSTISA-N 467.551 2.544 30 10 JFEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3nc4nccnc4cc3Br)C2)c1 1891363861 APRIQDRAPBEAHQ-AWEZNQCLSA-N 453.300 2.985 30 10 JFEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc21 1891633368 CEKCCYPTFYUMOV-UHFFFAOYSA-N 478.461 2.767 30 10 JFEE CN(C(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1)C1CN(c2nccnc2C#N)C1 1891898796 VEJGJJXFLQKTMF-UHFFFAOYSA-N 474.550 2.500 30 10 JFEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccccc3F)cc2)C1 1891923782 ZAIGQWFZDJTQPI-IBGZPJMESA-N 495.536 2.649 30 10 JFEE CC[C@@H]1[C@@H](n2cnc(I)c2I)CC[C@@]1(N)C#N 2009255545 OLJNRZPVOQZJHT-VHSKPIJISA-N 456.069 2.674 30 10 JFEE CC(C)(C)OC(=O)N1CCN([C@H](CN)c2cccc(I)c2)[C@H](C#N)C1 2074367866 OMEBRGQMWRSSMK-HZPDHXFCSA-N 456.328 2.736 30 10 JFEE CC(=O)O[C@H]1[C@@H]2O[C@@]23[C@@H]2CC[C@H]4C[C@@H](O)CC[C@]4(CO)[C@H]2CC[C@]3(C)[C@@H]1c1ccc(=O)oc1 2085667615 KDRVIPFIZZDLGB-CONKCXRJSA-N 458.551 2.772 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2124539661 XZYIUOBGQNEEIW-RNJGOJFXSA-N 450.385 2.999 30 10 JFEE CC(C)(C)OC(=O)N1CC(N2CCN(Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)CC2)C1 2162873480 SXRFMBOKMXWSBP-UHFFFAOYSA-N 457.424 2.723 30 10 JFEE CC(C)(C)OC(=O)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)Cc1ccccc1 2241562773 TVMRAIKZSCRINH-UHFFFAOYSA-N 474.392 2.635 30 10 JFEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2247834589 YNRNSWTVYTUTOB-SJORKVTESA-N 471.388 2.972 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255528747 DQEMAHQKRSNKFY-DZGCQCFKSA-N 451.398 2.866 30 10 JFEE CC1(C)OB(c2sccc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255808837 OTALCONKTPKYGI-OALUTQOASA-N 486.399 2.861 30 10 JFEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255838302 DDZMULXVZJLGQZ-CYBMUJFWSA-N 451.398 2.818 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255839807 ZCSMOLDTPAPCNZ-NJDVURJYSA-N 455.361 2.568 30 10 JFEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255844467 XGMYRSWRPLITBS-KBPBESRZSA-N 469.438 2.523 30 10 JFEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2256629203 RBODTKYXSJWATM-LRDDRELGSA-N 454.760 2.852 30 10 JFEE Cc1csc(C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267151085 GZPIFERJONZGHE-OAHLLOKOSA-N 468.425 2.703 30 10 JFEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OCc1ccccc1 2267198447 YADOFAGGLBZNKM-HDICACEKSA-N 482.390 2.591 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267379464 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30 10 JFEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2282034419 HVUAZHFNFGLBBP-JKSUJKDBSA-N 462.400 2.627 30 10 JFEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2282044904 SHKKZVGJWUEFAZ-HOTGVXAUSA-N 462.400 2.533 30 10 JFEE C[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2282045651 ZUUZGKHIKKUHAC-HZPDHXFCSA-N 462.400 2.579 30 10 JFEE Cc1cc(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282110734 NSXGONPZIUKEFE-GUYCJALGSA-N 454.298 2.823 30 10 JFEE CC(C)(C)OC(=O)NC[C@H](CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(F)(F)F 2282170649 BKEXFXDYXQYLQM-AWEZNQCLSA-N 473.301 2.814 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282176644 VOFNKBRLAXBDAV-IAGOWNOFSA-N 457.380 2.710 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2282312728 AKISJAAJFXYLNT-JKSUJKDBSA-N 498.476 2.986 30 10 JFEE 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488.577 2.926 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)CC1CC1 1300439722 GYZLSHQAXSFSEX-UHFFFAOYSA-N 467.389 2.610 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1300488652 UCBPCXAVUMKPTF-OAQYLSRUSA-N 465.579 2.608 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300504661 PQNYXWLMSPTGCS-YPAWHYETSA-N 486.638 2.652 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1300581498 TVDZUVLXNXDDHI-DQEYMECFSA-N 461.610 2.640 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OC)c2OC)CC1 1300690664 GACAJSPSZIJSFP-UHFFFAOYSA-N 452.946 2.814 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1300700987 ZMFQYJVAUFEEGI-WIYYLYMNSA-N 458.557 2.508 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nccn2C(F)F)CC1 1300710958 QTHHFWUXZYOPCN-KRWDZBQOSA-N 490.559 2.745 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1300790888 ZLRDDFYLBVKNPM-FDDCHVKYSA-N 458.584 2.922 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1300831038 QFWGNZHCJKJWBW-ZDUSSCGKSA-N 499.391 2.874 30 10 JFEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1300839633 MYWBQDOWITUBKG-UHFFFAOYSA-N 460.296 2.590 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300892430 SJHCAAQRXXXOFF-JTHBVZDNSA-N 473.643 2.516 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1300914033 AAOZWBRGXXZGDW-VQTJNVASSA-N 481.663 2.895 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1300975515 WDJXPFMCJUHMEB-AVRWGWEMSA-N 488.585 2.948 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301222866 IDZZHSWQTDLRAR-UZUQRXQVSA-N 476.578 2.584 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1301349078 KAIWAYIEZZNURV-FQEVSTJZSA-N 466.611 2.882 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1301365357 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CGPYAVVMCCABNE-VQIMIIECSA-N 465.570 2.918 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(CC(F)(F)F)CC2)CC1 1359173771 NXSGPJKHRFPNIV-HNNXBMFYSA-N 478.585 2.565 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1359261018 UQCHCFDKMVJWQO-XLIONFOSSA-N 495.646 2.696 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359286918 AROTVRZQLHWMRB-HXUWFJFHSA-N 489.665 2.569 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359330511 UIXZGFWWEIUTDF-MAUKXSAKSA-N 456.399 2.961 30 10 JFEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)NC4CC4)c3C)CC2)o1 1360543227 BJXBSWPKNKSUKM-UHFFFAOYSA-N 457.556 2.767 30 10 JFEE C=CC[C@H](NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1)C(=O)OCC 1447546590 CKJXJPNAXMVCMW-BXWFABGCSA-N 458.584 2.960 30 10 JFEE CC(C)(C)[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1nc(-c2nc[nH]n2)no1 1458180081 AZQPOUQQMJMDOU-QGZVFWFLSA-N 452.494 2.985 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2OCC)c1 1469098691 IFGSGZWZIRLOGK-ISKFKSNPSA-N 454.592 2.751 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2ccc(Br)c(F)c2)cc1 1470800763 YSKIZSVGWZTIFL-UHFFFAOYSA-N 455.305 2.665 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 1476041405 DVJONIURNWYAMB-UXHICEINSA-N 458.559 2.993 30 10 JFEE Cc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1 1492294040 GMRSAJFKUJTSCM-KGVIQGDOSA-N 460.604 2.794 30 10 JFEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)c1c(F)cccc1F 1503379370 AXBGZCJHHHLQLV-LJQANCHMSA-N 457.529 2.722 30 10 JFEE COCC[C@@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC#N 1504754726 HQWUIMRBEAKHQB-GAJHUEQPSA-N 464.611 2.918 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2sccc2Br)cc1 1505319573 AWCDODSTFGUYNQ-UHFFFAOYSA-N 487.383 2.927 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C)N2CCC[C@@H](C)C2)c1 1507549675 KRUMXXYJYMWQND-WOJBJXKFSA-N 472.597 2.912 30 10 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C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2OC)CC1 1507727878 UYCJPYQKVKONTF-UHFFFAOYSA-N 453.978 2.605 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1507735985 CNQKXFHNRXTTGR-UHFFFAOYSA-N 489.546 2.580 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507737169 ZFQLUOZAMHCUOZ-NOXFTYBFSA-N 499.587 2.575 30 10 JFEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507891187 YEGJYGVUPLDCHU-OKZBNKHCSA-N 465.620 2.640 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1508008275 MJGGRPAHUHJBHP-FUHWJXTLSA-N 483.685 2.618 30 10 JFEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)N1CCOCC1 1508712679 AMCNSHTVHXYDMV-GOSISDBHSA-N 464.492 2.695 30 10 JFEE CC1(C)CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1510301780 AJCIABRCPWXPHZ-GBXCKJPGSA-N 487.626 2.683 30 10 JFEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1514252471 AMUFMJIEWWFTOY-SANMLTNESA-N 479.629 2.502 30 10 JFEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ccc(F)c(F)c2)CCOC1 1516181178 GCJGUTKDEHLHCV-RTWAWAEBSA-N 451.449 2.729 30 10 JFEE CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1516813447 DTBHAHBAOQQUCM-UHFFFAOYSA-N 462.595 2.639 30 10 JFEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)CC1 1516957118 AIYYYDIUNLMBQY-UHFFFAOYSA-N 475.601 2.906 30 10 JFEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)C(C)(C)C 1517863250 HBQBBUBEQIWNSV-HXUWFJFHSA-N 454.575 2.882 30 10 JFEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cs1 1518826125 GIEYIAMQFNKBEE-CABCVRRESA-N 474.612 2.726 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539216662 VGQRBXQBEDXGHG-FQEVSTJZSA-N 453.543 2.739 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539230547 NYIPBISVUSESTO-LEDOBFOHSA-N 490.601 2.684 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCCCC2)nc1 1539273078 JNLISIJGNHAKNL-UHFFFAOYSA-N 473.606 2.776 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCS(=O)(=O)c1ccccc1 1539569652 GTQOKTMYRYNUNY-ZCVJKFOLSA-N 472.611 2.858 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1539637376 PPZHPBQCYBSYKU-SIKLNZKXSA-N 456.566 2.841 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(=O)N(CCOC)C1 1539652199 OVOJWQVDXAHMAW-OAHLLOKOSA-N 465.396 2.933 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1540019072 ANMJZIGBPDKAFV-LJQANCHMSA-N 465.562 2.568 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(Cl)cccc2OC)C1 1540893289 ZPWZKXMCSXHULZ-HOTGVXAUSA-N 466.991 2.672 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1541470103 DBTHJNZHVKTWGG-HXOBKFHXSA-N 458.994 2.868 30 10 JFEE C#CCCN1CCC(NC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 1544541642 DOFDHVWSMMZZSP-UHFFFAOYSA-N 457.621 2.713 30 10 JFEE N#CC1(CNS(=O)(=O)c2c(Br)cc(F)cc2Br)CCOCC1 1562011991 BHOOTCJJVQWJHR-UHFFFAOYSA-N 456.131 2.949 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1587600257 WQAUPFDIZDZBCN-MRXNPFEDSA-N 471.558 2.714 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2c(CC)nn(C)c2OC)c1 1587689140 CDMORZYHIVXNCG-UHFFFAOYSA-N 484.564 2.749 30 10 JFEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1587746217 MNKSALXOOGBSDX-XMMPIXPASA-N 450.543 2.572 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1588045255 IAIKIHCFEYXDLI-RBUKOAKNSA-N 495.571 2.764 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064623 LQPNMOCWAVHDEO-CZTZKLFOSA-N 491.683 2.712 30 10 JFEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1CC1CCS(=O)(=O)CC1 1588697477 SQUPSRYHKBHYQJ-UHFFFAOYSA-N 462.641 2.790 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2ccccc2F)CC1 1588750954 HOVMFHPAMUHPOQ-RUZDIDTESA-N 455.578 2.846 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1N1CCOCC1 1588975669 IYSQXOJZOUUXIS-UHFFFAOYSA-N 491.621 2.765 30 10 JFEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1588993533 KXKNHOSHROGUAH-KRWDZBQOSA-N 473.046 2.754 30 10 JFEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1589036940 RNZZNCFEHDUBSD-FQEVSTJZSA-N 491.665 2.896 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1589070460 TUYNSWDJACMFAF-QGZVFWFLSA-N 478.640 2.509 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 1589577217 AQSNHFFRMANHQL-XLIONFOSSA-N 471.587 2.654 30 10 JFEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1593878214 FNWFVOWREQJFRK-MRXNPFEDSA-N 466.970 2.786 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC(F)F)CC1 1594202360 NDJRTOAQJWTKLS-UHFFFAOYSA-N 457.323 2.830 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595243867 ITINHJGMPBNQSA-DEOSSOPVSA-N 470.595 2.885 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CCN(C)CC2)C1 1595681516 SEJOCRWBFVIFPE-GBXCKJPGSA-N 479.691 2.927 30 10 JFEE 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1740832476 DREYLVCBIBRICW-OXJNMPFZSA-N 464.611 2.733 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC2CC2)C1 1740850495 HQFYNOKFXHAOSW-PMACEKPBSA-N 481.663 2.609 30 10 JFEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740882496 NLWJCRDQBGVSJY-IBGZPJMESA-N 476.599 2.713 30 10 JFEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740886058 UZYIYFGWSQRIGL-IBGZPJMESA-N 456.547 3.000 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccnc(OC(F)F)c1 1740896662 DHHOCVQAUASMKV-UHFFFAOYSA-N 463.514 2.905 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740956793 QHVUXWJKWNEJMS-INIZCTEOSA-N 474.993 2.602 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1740964488 PKYBDIZEWYUQPW-UHFFFAOYSA-N 480.535 2.851 30 10 JFEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1740996308 LFNYKSMZIPMSSG-UYAOXDASSA-N 459.616 2.905 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1741004349 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CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C[C@@H](C)O1 1763580500 CUWBYEPPPLTPHW-DENIHFKCSA-N 468.602 2.579 30 10 JFEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1765008961 ANFJVJFOVMMJFG-OAQYLSRUSA-N 450.591 2.589 30 10 JFEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1)OC 1765581357 AFEJQXXDSLGSRH-OAQYLSRUSA-N 462.558 2.660 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CCOC1 1767387853 BUSBUBRFIZNGKH-ZEQRLZLVSA-N 470.643 2.876 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)C1 1769441178 DOMVFCKOEPBDGP-HOYKHHGWSA-N 453.543 2.669 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1772516188 QNXXASWYKVOXEK-JYFHCDHNSA-N 459.550 2.920 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(N(C)C)cc2)cc1F 1862641098 WXXHUKVEIAQIIB-NRFANRHFSA-N 455.486 2.615 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)cc(Cl)c1O 1862742408 LMXKDMIOXWAVKZ-DYZYQPBXSA-N 462.842 2.922 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CCO)=C(N)Oc2c1c(C)nn2-c1ccccn1 1865223801 FANYMVOVJOPBTK-QFIPXVFZSA-N 475.549 2.676 30 10 JFEE COc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868145713 DJTGTZAJVFXQOW-KRWDZBQOSA-N 457.512 2.696 30 10 JFEE N#Cc1ccc(COc2cn(CCc3ccc(F)cc3)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870348085 IPALTOAJLOCTOU-UHFFFAOYSA-N 490.579 2.791 30 10 JFEE Cc1ccccc1OCCCc1nnc(SCC(N)=O)n1/N=C/c1ccccc1[N+](=O)[O-] 1874248290 IFXCHURKGSOCSF-YDZHTSKRSA-N 454.512 2.966 30 10 JFEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2cc(Br)ccc2O)CC1=O 1874280629 WNSBFVCXWNNIBH-WVISFHDSSA-N 482.404 2.827 30 10 JFEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(NCCCN(C)C)ncnc21 1875228735 BKROWVGJDGCDIU-UHFFFAOYSA-N 461.614 2.939 30 10 JFEE COc1ccccc1[C@H]1[C@H](C(=O)NCC#CCN2CCCCC2)OCC(=O)N1C1CCCCC1 1890165747 OCTFVHMYWAOWCT-IZZNHLLZSA-N 467.610 2.902 30 10 JFEE O=C(NCC#CCN1CCCCCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1890621631 YZHMOGKRJAXKKE-QGZVFWFLSA-N 458.049 2.940 30 10 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CO[C@@H]1C[C@H](CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)N(C(=O)OC(C)(C)C)C1 2266057300 IKHTXMJTSVCEMV-HUUCEWRRSA-N 451.348 2.956 30 10 JFEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2267169268 JKDUUZCSZNWQOU-LBPRGKRZSA-N 479.330 2.970 30 10 JFEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H](C)N1C(=O)OCc1ccccc1 2267191131 YCOZLFVZLPFMSP-QZTJIDSGSA-N 482.390 2.591 30 10 JFEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H](C)N1C(=O)OCc1ccccc1 2267191132 YCOZLFVZLPFMSP-ROUUACIJSA-N 482.390 2.591 30 10 JFEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267289642 SLNXOKTWOVSBFC-MRXNPFEDSA-N 466.409 2.803 30 10 JFEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267469847 BDNVJLNOGXUDJC-CQSZACIVSA-N 472.388 2.564 30 10 JFEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)COC1(C)C 2267489136 JVUJEAOTOGPIDY-OAHLLOKOSA-N 450.341 2.681 30 10 JFEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(OC)C(=O)OC(C)(C)C 2267538350 UHJCUVUJNHQESI-UHFFFAOYSA-N 450.341 2.523 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2267704818 SRVCPJNGUHLZAR-UKRRQHHQSA-N 486.465 2.889 30 10 JFEE CN([C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267717568 GBCSFCICCZQNJK-MIFYACCESA-N 484.449 2.533 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268633524 CNIQYJXPJOHGAH-UKRRQHHQSA-N 467.759 2.655 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268647332 YSGMRGOEPDXMLP-YOEHRIQHSA-N 466.771 2.948 30 10 JFEE Cc1cc(CN(C)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268723434 UCWUKOLEBWXSHA-MRXNPFEDSA-N 468.425 2.590 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](COc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2269019490 GDUAHKGDSUWUDP-HOCLYGCPSA-N 452.332 2.829 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(c3nccc(B4OC(C)(C)C(C)(C)O4)c3F)C[C@@H]21 2280790628 IRGPPYMSZXUMRP-DLBZAZTESA-N 463.359 2.735 30 10 JFEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CC1 2281770477 RSIIKYPIFLNHRS-UHFFFAOYSA-N 482.383 2.984 30 10 JFEE COc1cc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2281988622 PBTMBRDZALKKBS-HGKCTWBKSA-N 458.364 2.590 30 10 JFEE CCn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282037570 XJRADTKHCHJDHU-CVEARBPZSA-N 462.400 2.578 30 10 JFEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282043211 LXDHCIDKBDKCCE-MRXNPFEDSA-N 462.400 2.581 30 10 JFEE Cn1nc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282053256 UBGFHBIAXUQUHK-INIZCTEOSA-N 462.400 2.627 30 10 JFEE CN(CCOCCN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2282187852 OFNLHCJQRMGERI-UHFFFAOYSA-N 462.396 2.941 30 10 JFEE COCCN(C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2282189446 KEISTNJWYAZLDR-UHFFFAOYSA-N 460.380 2.694 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282190461 HBHLPPGXTVWQOA-XYJFISCASA-N 457.380 2.756 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282191689 YFKJCMVCWFKFLV-CAROCFPZSA-N 479.408 2.628 30 10 JFEE Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282315918 VDQJIGYFSSKMEE-IRXDYDNUSA-N 480.436 2.733 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282340380 FHNGVTVQPVGNCY-WMZOPIPTSA-N 478.420 2.616 30 10 JFEE CC1(C)OB(c2cc(F)ccc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2282403998 AFSIPNNMPIIOLX-CYBMUJFWSA-N 458.261 2.656 30 10 JFEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2282500686 MLLWOOOYLBGGKK-INIZCTEOSA-N 488.444 2.868 30 10 JFEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282535709 RYHOCGIZEVVGBY-INIZCTEOSA-N 462.400 2.581 30 10 JFEE CC[C@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)CCN(C(=O)OC(C)(C)C)C1 2282571696 DRVAFGYSYMHIRG-QHCPKHFHSA-N 462.400 2.547 30 10 JFEE Cc1nn(C)c(C(=O)NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282584982 HSUOPKTXYKRCJP-HSZRJFAPSA-N 462.400 2.547 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2282599244 OIXBHAVMTPJTNN-HSZRJFAPSA-N 462.400 2.722 30 10 JFEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599621 PYTZZKUHGBQIGZ-OAHLLOKOSA-N 462.400 2.546 30 10 JFEE Cc1ccc(S(=O)(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2282828166 JSIOBKGMLKENAD-UHFFFAOYSA-N 478.420 2.678 30 10 JFEE CCN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C)C1 2282840872 QDDKJNNFXLQDNA-UHFFFAOYSA-N 480.436 2.924 30 10 JFEE CN(CC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282843974 VWEGELOMWWYIKI-UHFFFAOYSA-N 484.399 2.612 30 10 JFEE CO[C@@H]1C[C@H](C(=O)NCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C)N(C(=O)OC(C)(C)C)C1 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30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 2285194454 RCBGHUQEBGAWJL-UHFFFAOYSA-N 457.380 2.913 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288266446 CZYSRXGCNCZHTQ-OYHNWAKOSA-N 498.476 2.891 30 10 JFEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c1 2296135908 ICQJISONFDKGGJ-HSZRJFAPSA-N 496.560 2.856 30 10 JFEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NC[C@@H]3COc4ccccc4O3)C(=O)[C@@]12C 2297591333 TWHCABRHIZBTRV-RXAIFQJESA-N 491.496 2.998 30 10 JFEE O=C(CSc1nncn1N=Cc1ccc(OC(=O)c2ccco2)cc1)NCc1ccco1 2321876572 KDEKAMOJAJQGCL-UHFFFAOYSA-N 451.464 2.974 30 10 JFEE COc1ccc(C=C2Oc3c(CN4CCN(C(C)=O)CC4)c(O)cc(C)c3C2=O)c(OC)c1 2324035687 XKVXHFKLPUGYFY-UHFFFAOYSA-N 452.507 2.998 30 10 JFEE COC(=O)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(O)cc1O 2326269221 IUDMHRAIRDJYOG-UHFFFAOYSA-N 472.523 2.857 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(O)c(O)c1 2330794973 HHTURCIPOALOON-UHFFFAOYSA-N 468.539 2.555 30 10 JFEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(OC)cc1OC 2331310925 WRONWTDMYUCKMC-UHFFFAOYSA-N 469.567 2.775 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2359268544 URVVBDSRSMZIRO-KBRIMQKVSA-N 461.343 2.648 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CCCN(C)C(=O)OC(C)(C)C)n1C 2362331592 IKBSPYYSGFCSQN-HNNXBMFYSA-N 464.416 2.793 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCC1(C)C 2362340194 DTCZGMUICJWOIO-HNNXBMFYSA-N 462.400 2.627 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]21 2368867068 SOSGZHXIXBFYMA-OWCLPIDISA-N 478.420 2.944 30 10 JFEE Cc1scc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c1B1OC(C)(C)C(C)(C)O1 2369538567 SAYWDKYQVRFFEI-INIZCTEOSA-N 480.436 2.800 30 10 JFEE C=CC1(N[C@@]2(C(=O)O)[C@H]3COC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2378860183 DPHFQJKCAUQAOK-UFLILHPCSA-N 481.590 2.525 30 10 JFEE N#Cc1c(CCCNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)nn(-c2ccccc2)c1N 108849458 CTJRXLRDYLUNHR-OAQYLSRUSA-N 462.579 2.670 30 10 JFEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccccn1 170181414 LUHBZZIKEDSOBM-JOCHJYFZSA-N 450.539 2.830 30 10 JFEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CSCCC(=O)O 196193857 XDGQFAAXMMOJNT-PFHSXZKRSA-N 450.597 2.997 30 10 JFEE C=CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C 230189824 POVPBCVDLIEOSH-MORRFFFGSA-N 479.577 2.665 30 10 JFEE biogenic CC(=O)OCC1=C[C@@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)C(C)C)C[C@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@]2(O)C1 257487338 MTXOHECJOIIIJM-JZGDZGEYSA-N 460.567 2.737 30 10 JFEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1F 488998032 APWCAEHXSAJPIH-LBPRGKRZSA-N 467.320 2.894 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)c3ccc(NC(C)=O)cc3)cc21 526899529 YJRWRUNZNCBFCA-RQOHWKINSA-N 468.531 2.759 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 553054754 RXNRFINRROCPMN-UHFFFAOYSA-N 476.556 2.808 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)[C@H](C)C(=O)Nc3ccccc3OC)cc21 586282029 JMSKUDGJXNKZET-NKIZNCFLSA-N 470.547 2.954 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 610548791 CCZYLGDCNKDZPV-QGZVFWFLSA-N 493.372 2.503 30 10 JFEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(COC)C(=O)O 757292030 AFKCBZFFIFIQLS-BWKNWUBXSA-N 450.491 2.523 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2ccccc2Cl)n1)Nc1ccc2c(c1)C(=O)NC2=O 1083927202 NLTBMMAWIUQSLA-UHFFFAOYSA-N 455.887 2.519 30 10 JFEE COc1ccc(O)c(C=NNc2nc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n[nH]2)c1 1083992550 AKIMLXSTQLBNNU-UHFFFAOYSA-N 498.565 2.659 30 10 JFEE CCOc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1 1084195286 RYQLFURCMAQKCF-UHFFFAOYSA-N 457.472 2.994 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1140471671 OGUXDQNUVLXJQF-UHFFFAOYSA-N 450.532 2.917 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)c1 1143466634 GWBXERCGULBBRD-HXUWFJFHSA-N 450.354 2.884 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[C@H](O)C2)c1 1286309594 SLZMIXXIKGNVKV-ZYVVXELTSA-N 495.624 2.926 30 10 JFEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286318015 SGELHPITKBLJFV-QUCCMNQESA-N 499.015 2.639 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286380269 BMPFOHDIIPMTNX-WMQCIHAUSA-N 455.584 2.505 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1286386948 KIRLUQHARQHDMM-KRWDZBQOSA-N 458.975 2.512 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1286386984 LNBPXYQGANEZTR-GOSISDBHSA-N 498.575 2.564 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286391352 HKCUHUYEVFCXKC-LEWJYISDSA-N 485.635 2.648 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCO2)n1 1286470932 GFKYIWGAXFWFGH-YPAWHYETSA-N 470.618 2.858 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)n1 1286471633 PGGXZVIABIINSK-QHCPKHFHSA-N 487.029 2.949 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(C)OC[C@@H]1C 1286506839 OTOGLIPXCKBCBT-SFHVURJKSA-N 455.632 2.822 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286541149 HMKSMCQLXMAGTO-HZPDHXFCSA-N 486.411 2.811 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286603175 NUZYCEMJWBFVJS-LJQANCHMSA-N 456.547 2.605 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286603865 AWMSRDUFRKTRIQ-OAQYLSRUSA-N 479.423 2.929 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286612590 HBIPBNKKTJKZNV-LJQANCHMSA-N 458.632 2.927 30 10 JFEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286685536 SLCGKKDEVSWCBA-UHFFFAOYSA-N 492.422 2.966 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1286766467 RKPWOJLQHQPXHC-MBSDFSHPSA-N 462.616 2.950 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286783379 QASBNWDLBDCGSX-SFHVURJKSA-N 490.992 2.631 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(c2ncccc2F)CC1 1286789173 PZJVSSJXLMRHAW-UHFFFAOYSA-N 467.524 2.561 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1286823274 LMDJMJYKDYDHLY-UHFFFAOYSA-N 499.044 2.897 30 10 JFEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286834201 CRTAUBCVRVXIFY-CTNGQTDRSA-N 455.628 2.954 30 10 JFEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)CO)c1 1297880828 VOOUDYFSTITLSH-INIZCTEOSA-N 453.442 2.701 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300485157 UPUQSRVWHQKBQX-ZWKOTPCHSA-N 478.590 2.735 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1300579317 POCBYCGPTZMQCZ-CLOONOSVSA-N 450.587 2.979 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2c(F)cccc2OC(F)F)CC1 1300703427 JXUDCHNVFVGWIW-UHFFFAOYSA-N 456.472 2.808 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(Cl)c2)CC1 1300727352 YBLXKGJMJYBFGT-UHFFFAOYSA-N 478.984 2.940 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300887326 AYSNAQZUJHWQBX-GSHUGGBRSA-N 495.596 2.598 30 10 JFEE C=C(C)COCCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C 1301001898 PGJWHNIPYZEBDC-NHCUHLMSSA-N 460.667 2.985 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)COCCO1 1301341183 PCDIZFLWQITPID-JWQCQUIFSA-N 467.570 2.800 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1301347391 WCTSOURUXPXREL-UHFFFAOYSA-N 457.556 2.633 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1301506371 JRBDOMSYRSSADY-UHFFFAOYSA-N 478.641 2.954 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301514428 JOLKRPYYBGAKDX-RTBURBONSA-N 469.542 2.571 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1301556246 HALVDJRFUDGAFM-OAQYLSRUSA-N 467.595 2.691 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1301578710 GIVHIKPSTNGONK-NRFANRHFSA-N 474.675 2.833 30 10 JFEE C=CCSCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301622971 JDIIWRLOIKMIKP-BDXSIMOUSA-N 492.646 2.903 30 10 JFEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCS1(=O)=O 1302973866 ALQNRADTDUIZCO-NHCUHLMSSA-N 457.600 2.893 30 10 JFEE Cc1noc(CCCn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)n1 1304895164 GUMWQTMYIJFLOJ-KRWDZBQOSA-N 488.346 2.673 30 10 JFEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)c(C)n1 1306716624 GONLPIJPGUCVDJ-UHFFFAOYSA-N 461.574 2.632 30 10 JFEE CCN(CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1313695725 BCTJZLLPDYVHQF-UHFFFAOYSA-N 453.591 2.518 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1358870803 UOXLSSLGBVFENC-IRLDBZIGSA-N 473.581 2.674 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(C)CCCS2)c1 1358902937 FWPHFTQHEASHCO-DEOSSOPVSA-N 466.611 2.742 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1358915566 IEMWHVVZYMLJIJ-FQEVSTJZSA-N 465.606 2.772 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1358922533 ITVAIBSFOQRGBN-UHFFFAOYSA-N 487.523 2.784 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 1358929958 LKDTVYAZPWZYBG-IRLDBZIGSA-N 472.611 2.788 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1358958861 XKFTTXOQDYIBAR-SFHVURJKSA-N 481.416 2.761 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358964954 KSRAGHKOOJAASH-KRWDZBQOSA-N 458.481 2.977 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NC(C)C)CC1 1359047322 BLHIPDUXXJQXOJ-UHFFFAOYSA-N 489.045 2.714 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC)c(OC)c2)CC1 1359047856 WAKVDUXGLBTPNE-OAQYLSRUSA-N 467.570 2.551 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(Cc2cc(C)no2)CC1 1359058827 RBXJWXXSBLWFTC-UHFFFAOYSA-N 466.611 2.863 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H](C)C1 1359066337 XLCKQQXXWYCPME-NBGIEHNGSA-N 484.670 2.919 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1359066979 WPWPOGKRGOAMBY-OAQYLSRUSA-N 458.360 2.559 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCOCC 1359098138 XWSWYSQVASZQLD-IEBWSBKVSA-N 462.620 2.692 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359160454 VNMJDNWBYGRQAG-QZTJIDSGSA-N 461.529 2.812 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCO[C@H](C)C1 1359230784 FYCZFHCNZXKZIK-GOSISDBHSA-N 461.010 2.985 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359244484 FSDDTWQTSQVIKC-PXNSSMCTSA-N 463.579 2.823 30 10 JFEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359285374 DBNCJTLRHGTSNU-QGZVFWFLSA-N 465.562 2.800 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359290228 OOZQYCASVAAFPD-QUCCMNQESA-N 470.643 2.754 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(OCc2ccccc2F)CC1 1359297215 JAPUVFSRJKSLRI-UHFFFAOYSA-N 450.518 2.967 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1359310782 GOEZOZWRKGLPEV-UHFFFAOYSA-N 452.584 2.915 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1359316497 PLMOBZOYSMHLNI-OAQYLSRUSA-N 458.994 2.544 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1COc2ccccc2O1 1359330888 GNTSSCQSBAUPHP-SFHVURJKSA-N 469.567 2.526 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1359331698 GHIJXUOZCCTNEJ-XZOQPEGZSA-N 487.670 2.874 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1359335702 SDMZQRPAQUNDRW-UHFFFAOYSA-N 494.589 2.719 30 10 JFEE CC(C)N(CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N)C(C)C 1359472214 HXYIJBUMUSTORD-GOSISDBHSA-N 450.591 2.907 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1359576524 HGAXSPHHQGPXEO-HXUWFJFHSA-N 481.601 2.928 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)nnc1-c1ccco1 1436986577 GFFXVKVJFCHITF-MRXNPFEDSA-N 450.586 2.632 30 10 JFEE C=CC[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)c1ccncc1 1468883886 HYXPFBXLZPHPGD-WCIQWLHISA-N 471.558 2.923 30 10 JFEE COc1ccc(Br)c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1473266835 DBDXLFLEOQUXMY-UHFFFAOYSA-N 450.358 2.836 30 10 JFEE CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1501262225 AFYXOUOYHWPOEQ-OAQYLSRUSA-N 480.594 2.920 30 10 JFEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSC[C@H]2C)c1=O 1502235918 BEVZQEODXHDQTM-QGZVFWFLSA-N 450.568 2.900 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nc(C(C)(C)C)cs2)CCOC1 1502727521 ARZRCPTVCMHTDI-AOMKIAJQSA-N 460.604 2.656 30 10 JFEE CO[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1503963920 DTJOEPOCBQGPSK-VGSWGCGISA-N 453.453 2.894 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(SC)CCOCC1 1507520848 HHFZTNLHRREROT-KRWDZBQOSA-N 477.656 2.566 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCCS(=O)(=O)C1 1507522991 ZUDTZFBJLYLUAA-CABCVRRESA-N 481.416 2.999 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)c1cccc(O)c1 1507538675 VMRJIBXRAFWXKJ-GOSISDBHSA-N 457.538 2.500 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507542673 MCVZKOIIWOODIU-AWEZNQCLSA-N 482.557 2.888 30 10 JFEE C#CCCCn1c(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)nnc1[C@@]1(OCC)CCOC1 1507599962 VSDOJIJQZKYSNA-XMMPIXPASA-N 490.052 2.615 30 10 JFEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1507605992 YZRGFUMPERDUBO-QFIPXVFZSA-N 452.603 2.648 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1507631242 CFRDVNVLULGJFL-KXBFYZLASA-N 466.966 2.987 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H]1C(=C)C 1507699955 LQQSDIAUBVCAER-CUWPLCDZSA-N 475.590 2.648 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCOC[C@@H]1OC 1507709755 ZFTJGAJOVGSQDM-BEFAXECRSA-N 481.366 2.984 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1507713668 SGJYCMKAUIMLEH-NRFANRHFSA-N 468.602 2.997 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2ccc(F)cn2)n1 1507717209 RFPVCQMUYLQTDT-OAQYLSRUSA-N 453.522 2.585 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507743809 KEXDMTNSSQWUGI-UHFFFAOYSA-N 488.683 2.895 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1507745093 SZMXTJTZWZTFOB-QRTHJKPMSA-N 472.611 2.935 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1507759984 RFIWDVSMSDWBFF-VXKWHMMOSA-N 489.686 2.843 30 10 JFEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507938689 BJULNFGIBAMWPL-UHFFFAOYSA-N 499.417 2.833 30 10 JFEE C=CCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507954664 WXFHYUIDGUAFKR-IXDOHACOSA-N 453.609 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCc2oncc2C1 1508149236 RJSMVYSLVODPIO-UHFFFAOYSA-N 457.556 2.571 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1515498128 AMKPRWUJPXFTLA-QFIPXVFZSA-N 481.601 2.882 30 10 JFEE CO[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1517755698 BWPULJSBCCSSDV-IBGZPJMESA-N 474.569 2.544 30 10 JFEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1518009539 CLASHGCZMUBSEI-FQEVSTJZSA-N 467.954 2.874 30 10 JFEE CC(=O)N1CCc2c(sc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)c2C#N)C1 1533847577 PSUXFVCTYIPOJE-UHFFFAOYSA-N 454.533 2.972 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2ncccc2C)c1 1539040261 PDUJTTJFGDTXEP-SANMLTNESA-N 474.565 2.738 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539053467 SOZUSAPVIYEWBQ-FXAWDEMLSA-N 468.533 2.833 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1539086000 WITDDWPBEKRBQF-ONTIZHBOSA-N 453.591 2.701 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(OC)ccc1OC 1539299487 IYICUNRRINBTGL-VWLOTQADSA-N 452.555 2.847 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn2ccc(C)cc2n1 1539304896 JCJXKDBFEDVLLZ-UHFFFAOYSA-N 472.574 2.816 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccc(F)cc2F)n1 1539423641 BMLHQAZLFDQWHC-UHFFFAOYSA-N 464.480 2.544 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSc2ccc(C)cc2)CC1 1539477661 UZFMLBRCRXFHPY-UHFFFAOYSA-N 463.611 2.745 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1539483005 QUCKBBYIJQVGSM-SFHVURJKSA-N 469.033 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCSC2)CC1 1539489698 WCEASQCXVYSLNA-GOSISDBHSA-N 469.611 2.585 30 10 JFEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1539771521 XRZDANXUEPLCRY-QIJZPMMNSA-N 462.616 2.973 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCC(OC)CC2)CC1 1539889905 DMXRRSUSVOKQOW-CBNMVNINSA-N 481.663 2.609 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](OCC)C1 1540870247 IEUGJUOZGYCCKM-IBGZPJMESA-N 476.622 2.700 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1540872889 DVUCZGMWIIMKHO-UZLBHIALSA-N 452.584 2.902 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1540879862 QIDTUGRZICKOJJ-PXNSSMCTSA-N 485.614 2.576 30 10 JFEE CN(C)C(=O)[C@@H]1CN(C(=O)c2cncnc2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376597 CESCFYGGJPQGHI-FQEVSTJZSA-N 486.498 2.814 30 10 JFEE COCCNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NC1CC1 1548379699 YJDFDKWRHJFGMG-FQEVSTJZSA-N 493.530 2.730 30 10 JFEE CO[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1554666050 AMXIPTAJQLSIIQ-OAQYLSRUSA-N 465.602 2.660 30 10 JFEE N#Cc1cc(Br)cc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)c1 1561141016 CJHFHAFQSNVWPR-UHFFFAOYSA-N 450.358 2.631 30 10 JFEE N#Cc1ccc(OCC(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cc1Br 1565616455 ICMJBMZDUCUPLQ-IBGZPJMESA-N 454.284 2.919 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1587738897 KSJDTIFOXPHENJ-UHFFFAOYSA-N 489.580 2.586 30 10 JFEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1587773450 KDDKDTPPKBNRON-GOSISDBHSA-N 452.584 2.912 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(=O)c1cccc(O)c1 1587985025 QWMPRDDTLLEFHR-FQEVSTJZSA-N 496.612 2.988 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1588029596 JKSZDLUKPWDLIF-NQIIRXRSSA-N 452.584 2.652 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588034325 DDZPNKHTWTXRNT-LJQANCHMSA-N 457.556 2.916 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1588050705 USGIKUQPUKEVCP-OAQYLSRUSA-N 466.611 2.794 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1588069052 GAYCPERNAPPKAJ-SFHVURJKSA-N 462.641 2.934 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1588069325 LPLMMSINGDDMJW-NRFANRHFSA-N 483.569 2.569 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1csc(CC)n1 1588200597 WYKVSSDUYRBYJR-UHFFFAOYSA-N 457.567 2.645 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1588763220 SWMRZYCIYSTPGB-MRXNPFEDSA-N 469.387 2.893 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCCC[C@@H]2CC)CC1 1588864907 LOOWTYYIFKQMBO-QHCPKHFHSA-N 450.631 2.919 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2nc(C(F)(F)F)cs2)CC1 1588914057 UKRHRLXUAYVOHY-UHFFFAOYSA-N 475.500 2.830 30 10 JFEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589304563 HWVIZMMWZBQYSQ-IBGZPJMESA-N 475.435 2.939 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1589427265 FYHYJKYSAIGTSL-INIZCTEOSA-N 463.355 2.957 30 10 JFEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1594608106 FMAGQNFUMPKNEK-UHFFFAOYSA-N 469.615 2.959 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1595093889 JNEKXIPHMRHLRR-OAQYLSRUSA-N 470.537 2.695 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCn2ccnc21 1595275921 SSFZZLNHSXYDJT-IBGZPJMESA-N 470.599 2.762 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1595569865 PHMNOVVLRVUIAH-UHFFFAOYSA-N 454.575 2.613 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595901478 YBYZEDIYQKZZBH-UHFFFAOYSA-N 494.650 2.782 30 10 JFEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)c2)C1 1596428365 FLOPDFRPJHBTTF-HZPDHXFCSA-N 452.536 2.824 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1614028495 GCNDZMYUQXMWNB-QZTJIDSGSA-N 483.621 2.863 30 10 JFEE N#Cc1ccccc1OCc1ccc(C(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)o1 1618525239 IEFZGZQIVFKTGJ-LJQANCHMSA-N 451.504 2.955 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)cc1 1634190076 SWRVFNNJHLNMFZ-UHFFFAOYSA-N 454.451 2.753 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1649538561 DVGCKXFSLGOPNV-GDBMZVCRSA-N 487.377 2.987 30 10 JFEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)c1 1666986449 BSGFFLVOMAYJAQ-UHFFFAOYSA-N 453.568 2.785 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)Cc1ccccc1 1689850600 FCHZOALFGORMHQ-HXUWFJFHSA-N 472.597 2.569 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1689929765 DFLQSQXZUOURNW-MJGOQNOKSA-N 493.427 2.934 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689982561 QCOAMGVXEMNSBP-JOCHJYFZSA-N 469.655 2.965 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689989522 GMGUMBNOLONVFZ-OMYXNUHHSA-N 478.659 2.783 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(S(C)(=O)=O)CCC1 1690008760 NQWWWUQXUOTELP-UHFFFAOYSA-N 491.411 2.756 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)OCCc2sccc21 1690034627 NPYRZSAXTGXPPS-BJKOFHAPSA-N 454.596 2.943 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)N(C)CC 1690095424 PXRBPSKPKLSCRU-UHFFFAOYSA-N 452.584 2.941 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690155295 IMXVQXSVOXGRKS-PMACEKPBSA-N 466.611 2.761 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690219720 JZKHUGALIVTIRS-CABCVRRESA-N 485.383 2.995 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690221257 QEYMLQQJPNDKKF-DOTOQJQBSA-N 480.432 2.930 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690226608 FRUQKYOJGQHDGP-UONOGXRCSA-N 451.369 2.833 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690228918 IXICSUQKOARPIQ-SFHVURJKSA-N 495.466 2.652 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690230641 LSXCKJCLLIVCAJ-QGZVFWFLSA-N 467.437 2.843 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C 1690254811 JBRCGMOVDOWQGL-FHWLQOOXSA-N 453.653 2.665 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1690266005 XSMMKNMYSOXQPI-KRWDZBQOSA-N 461.579 2.839 30 10 JFEE 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488.679 2.737 30 10 JFEE C=CC[C@H](Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1705797809 CUKWUVACTJHJSX-PQNGQFLHSA-N 474.627 2.913 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCOCC1 1705860523 JOSIPTZMWHRLIW-UHFFFAOYSA-N 491.621 2.947 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705882346 UFSSHXSWRAVZQK-IBGZPJMESA-N 464.492 2.719 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(C(C)C)CC1 1705902703 IVLVGNFOAAMFNH-FQEVSTJZSA-N 489.665 2.615 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1cc[nH]n1 1706069885 FDMBKDZZNFRCAI-LLVKDONJSA-N 463.365 2.518 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1706173809 HKJWGFBDRMMERS-KRWDZBQOSA-N 465.514 2.854 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1706650195 CEFXXFLTXKCTKN-JOCHJYFZSA-N 492.672 2.728 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1707803094 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10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)N3CCCC3)CC2)cc1 1301520752 NTKKCQFLHTVJIJ-UHFFFAOYSA-N 480.613 2.868 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)C1 1301665800 YPYGCQDVAGRTDS-QRVBRYPASA-N 497.600 2.866 30 10 JFEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)c1 1354862306 NUUQFAUUMQGGKY-IBGZPJMESA-N 454.324 2.676 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1358886146 YOTRKSKXTWQQOW-CJAUYULYSA-N 479.654 2.960 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccccc1OC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358955905 VYLJDXQIERMXHH-RBBKRZOGSA-N 485.654 2.874 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1358957515 VOISYENQAJDCHU-LXGFNABISA-N 476.574 2.974 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1358966490 PYHSRUSQVFWANH-DEOSSOPVSA-N 494.665 2.899 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 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1359089883 QRNOTQCFBSUVLH-KKUMJFAQSA-N 482.345 2.984 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1359270682 YQEVTLMKMSJIED-UHFFFAOYSA-N 474.569 2.723 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1359272212 NNIFUKMKURCLSK-QGZVFWFLSA-N 453.609 2.616 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359293616 VLQFNPHIQMETEO-CJFMBICVSA-N 453.587 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359328469 DZBPWTWHOCATFA-QGZVFWFLSA-N 463.604 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1359333237 RNBPOBFNVNGUMH-SJLPKXTDSA-N 492.623 2.725 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1360482534 GCIGFZHYHHTVKK-CVEARBPZSA-N 466.608 2.666 30 10 JFEE O=C1OCCN1c1ccc(F)c(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1 1437125584 ADDCLPHBMNCFGX-RNCFNFMXSA-N 471.329 2.996 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1498508952 CZPVDVLLQGOWHH-MRXNPFEDSA-N 453.522 2.632 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCCc1ccccc1 1507521440 YNLFQVANJIMMIE-INIZCTEOSA-N 469.387 2.863 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507624452 AJAWFRKTHYXBCI-ILWGZMRPSA-N 456.612 2.873 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507627362 SINNELWMBHMJAO-VXKWHMMOSA-N 454.596 2.793 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1ccnc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1507629769 PUMRFROXKIWCLP-HXUWFJFHSA-N 493.637 2.687 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507632966 BXOJLEWBDLAZBT-FIKGOQFSSA-N 480.581 2.835 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1cc(C)oc1C 1507653397 OEWQKFRTRRHUDW-SANMLTNESA-N 473.581 2.642 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc2c1OCCCO2 1507660972 JCBKGYWOVDJESE-RUZDIDTESA-N 450.539 2.603 30 10 JFEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@H]1CC 1507751587 PRCCBELWWPOIIB-QZTJIDSGSA-N 495.696 2.553 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507793273 PIPWWUCARZXUQQ-UWJYYQICSA-N 484.439 2.968 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1ccc2c(c1)OCO2 1507807185 QUGVKBSUTWIXBR-MMOPVJDHSA-N 491.614 2.625 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507830750 WWVBOSQSRCQKAG-PMACEKPBSA-N 488.633 2.905 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1507843660 QAPLMCOCLFSUFQ-HXUWFJFHSA-N 487.004 2.828 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1507847400 LMKGVRYGKCSNEH-MRXNPFEDSA-N 486.564 2.935 30 10 JFEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1507851058 DZHYGPDSXJSPIA-RBBKRZOGSA-N 485.654 2.882 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507868457 KLZQFUKKZXBIFQ-QKLQHJQFSA-N 475.977 2.911 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1507934745 JAPTVSFVYZKBEE-NJYVYQBISA-N 481.663 2.610 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1508084462 BSZQRQGTAIEGTG-OAQYLSRUSA-N 451.619 2.899 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)[C@H](C)CC)C1 1508117262 LGAVYOFDOYWIJM-MOPGFXCFSA-N 465.602 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1508135759 LGRDXZGLMSVZDK-IBGZPJMESA-N 482.610 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1508136894 ITVKPPWJSPFMIO-RXVVDRJESA-N 455.584 2.851 30 10 JFEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1508152524 ZLLCFMIJNPICDF-QGZVFWFLSA-N 453.634 2.874 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(N3CCC(CC#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 1508225343 OFIUSUUUQUVPCN-URXFXBBRSA-N 458.607 2.707 30 10 JFEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1511640249 IEWQKZCOVNYXSO-LJQANCHMSA-N 492.628 2.684 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C)n2)CC1 1516006111 BOKGMVFEXUQEAN-UHFFFAOYSA-N 450.572 2.676 30 10 JFEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539139579 FUBIVNPKVOROHR-UNMCSNQZSA-N 496.681 2.981 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539218597 BEZVHFPHECAQNN-IFMALSPDSA-N 457.644 2.534 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539220054 PCNQMJYAISRJMJ-BHDDXSALSA-N 456.612 2.619 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NC1CCCCC1 1539300731 XDFUAWVKVPPLLI-VWLOTQADSA-N 455.603 2.621 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ncccc1F 1539390136 KLKWEORTSGSCPY-IBGZPJMESA-N 452.465 2.621 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCCO1 1539409276 VENQREUYJHAFDQ-LJQANCHMSA-N 464.570 2.891 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCN(C)CCOC)CC1 1539429916 FBVMGVQQSWSSLP-UHFFFAOYSA-N 479.654 2.710 30 10 JFEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1539461429 FSHQRHZYGQXLLO-UHFFFAOYSA-N 451.493 2.697 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C(C)C)N2CCCC2)CC1 1539482858 XOXOJGYWKGHHNU-YADHBBJMSA-N 456.635 2.606 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1539510018 CWOMKTAENUTBPK-UHFFFAOYSA-N 494.621 2.821 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1539627287 IOABKIQPIMALSF-YLJYHZDGSA-N 457.579 2.717 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539779757 FOVLKRNEJHKCKJ-GFCCVEGCSA-N 477.816 2.554 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ncnn2C(C)(C)C)CC1 1539836611 XOBOTGGAFYNMSD-UHFFFAOYSA-N 484.630 2.747 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1539912053 BTDKZTNXGQMLIC-UHFFFAOYSA-N 483.642 2.933 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539988906 JJXJVUUFYFAXJX-UHFFFAOYSA-N 458.994 2.546 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@H](O)C1 1540200797 IMLKJGGDENOBPZ-CTNGQTDRSA-N 455.607 2.642 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540865807 SPWXXOZQJPPARX-CVEARBPZSA-N 461.408 2.929 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1540903259 BRORGPOHXYPTBO-MJGOQNOKSA-N 498.552 2.562 30 10 JFEE C[C@H](c1nccs1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1541798168 COPVYRRATJWKRM-QGZVFWFLSA-N 485.639 2.591 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)c1 1542253170 GKMBETACIYHVIT-UHFFFAOYSA-N 474.631 2.968 30 10 JFEE O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 1543636858 AAGSTZCHBYXJKV-HUBLWGQQSA-N 458.374 2.871 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1587831174 KDLQPSVJUDXAHN-UHFFFAOYSA-N 490.564 2.917 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588029380 HBXJEFNJLLUVOP-OAQYLSRUSA-N 487.626 2.589 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1588040582 OSOBWDDVEYCQTI-QGZVFWFLSA-N 489.026 2.785 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1cccc(F)c1)N(C)C 1588089713 OAXWZYQOUSEBOJ-RCZVLFRGSA-N 453.562 2.834 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1588194526 WWUYAXKPVDDLBF-MRXNPFEDSA-N 491.411 2.614 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCC=C 1588233200 CVDXGVYIAGDIJG-FQEVSTJZSA-N 457.575 2.642 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1588930153 ONCKTUCSSVNUFM-XUZZJYLKSA-N 478.641 2.658 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCSC1 1589007774 QTCRCYAKYWWRSU-KRWDZBQOSA-N 465.670 2.504 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1589124821 BTGZYUPPYLTMAM-QYZOEREBSA-N 479.647 2.957 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)(C)C 1589171515 IJTXHILQYGZUJQ-HSZRJFAPSA-N 457.600 2.503 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1589641437 JPRUKZQRZQPHKC-UHFFFAOYSA-N 499.641 2.674 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(OC)ccc2OC)C1 1595673775 JDUTYDTUMDFSKB-LJQANCHMSA-N 464.526 2.772 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(SC)CC2)C1 1595688710 MYZSCSHYFYELFZ-GOSISDBHSA-N 477.656 2.872 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)NC(C)C)C1 1595706310 JZXIJNXUZXYPOP-INIZCTEOSA-N 498.447 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1ccc(C)o1 1595838061 JXTRCXFSJXFDDP-NSHGMRRFSA-N 464.588 2.846 30 10 JFEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCCc2ccccc21 1597627043 MTVQSYUITUZOCO-QHCPKHFHSA-N 453.564 2.853 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1)C(F)(F)F 1611647334 BMVOMKYXFLVWOH-LPHOPBHVSA-N 496.559 2.857 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CCSC(F)(F)F 1612884617 BOHPSBPHIBKHSL-CQSZACIVSA-N 477.520 2.913 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCCO2)CC1 1615837573 FYYYMMFOOCYJDW-NFBKMPQASA-N 451.619 2.848 30 10 JFEE N#Cc1cccc(OC2CCN(c3nnc(Cc4ccccn4)n3CC(=O)NCC(F)(F)F)CC2)c1 1620349010 CUVONNOKXLVLRY-UHFFFAOYSA-N 499.497 2.862 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 1628932681 ZOYCHNMHKMJTQD-KRWDZBQOSA-N 459.996 2.768 30 10 JFEE C#Cc1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1640977217 WLMUPGDLERPXPV-JOCHJYFZSA-N 454.592 2.815 30 10 JFEE C#C[C@@H]1CCCN(C(=O)c2cccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1643853855 DKYVXXNCXHGBTL-XLIONFOSSA-N 452.580 2.985 30 10 JFEE C=CCCC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1645503689 SVORGHJPEKGDQW-AWEZNQCLSA-N 456.870 2.651 30 10 JFEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(-c2cccnc2)ns1 1648665364 DWPNFMFJLXHWPY-OAHLLOKOSA-N 456.553 2.836 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C1CCCCC1 1649538811 HUTFILIJLUSOFE-KRWDZBQOSA-N 485.658 2.796 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCO[C@@H]2C)c1 1689870289 JCTBWKOGMDTFEV-VOIUYBSRSA-N 480.956 2.590 30 10 JFEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690052340 GOYWFKCABDRDNT-UHFFFAOYSA-N 479.581 2.656 30 10 JFEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(C)n(C)c1=O 1690093762 JGRGCEODNOXRML-SFHVURJKSA-N 453.518 2.699 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ncccc2N(C)C)CC1 1690117490 JHPLCTCNXMPTQW-UHFFFAOYSA-N 465.989 2.872 30 10 JFEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1690180386 FHZCEPOVMFEYGT-UHFFFAOYSA-N 462.067 2.869 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)CCS(C)(=O)=O 1690246069 QJUCBEPSPVPKSV-UIFIKXQLSA-N 476.599 2.643 30 10 JFEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1690394501 BPOHIRCSLCHSDY-UHFFFAOYSA-N 455.559 2.991 30 10 JFEE C=CCCOCCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1690511871 DMURFZXOBFXABE-UHFFFAOYSA-N 465.595 2.818 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1690561476 RIQMOQBNPLSDLT-UHFFFAOYSA-N 491.596 2.943 30 10 JFEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690636147 IYFFTUASDLEPNM-UHFFFAOYSA-N 465.558 2.528 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)C1 1690712457 VWPIIPSOLLWISS-QFIPXVFZSA-N 473.537 2.912 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@](C)(OC)C1 1690719242 IRKQTYUDRQGJLM-QFIPXVFZSA-N 464.588 2.568 30 10 JFEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC#N)CCCO1 1693842063 AZLYDVYQPYVJST-WOJBJXKFSA-N 451.575 2.968 30 10 JFEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1695045335 HUMIIXJJNPASOL-XMMPIXPASA-N 480.548 2.536 30 10 JFEE CN(CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1696802243 CSTJTQIGHOUMDI-LJQANCHMSA-N 465.583 2.525 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705500082 FYQAMSKVVVUXPO-HNNXBMFYSA-N 451.522 2.758 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705527966 QKKVASYKDGYHQD-FQEVSTJZSA-N 480.034 2.889 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705531028 VYYMHNLROFVOJV-MRXNPFEDSA-N 496.431 2.648 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705562913 MNHOVLQUFMHPLP-GOSISDBHSA-N 478.018 2.827 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1705567344 WWPMRMXJBNVNFB-OAQYLSRUSA-N 479.606 2.551 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1705619429 QKBBETIQQNTHTD-GBXCKJPGSA-N 490.601 2.534 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1705683420 HKCUUQSISJERBG-CQSZACIVSA-N 452.378 2.985 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1705716191 BXBMYFPZLLWICT-HXUWFJFHSA-N 459.572 2.808 30 10 JFEE C=C(C)Cn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728379 IOVRRFKETHINJJ-DHLKQENFSA-N 455.603 2.750 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705732403 YJFVTOLFYSNGKI-QFIPXVFZSA-N 472.634 2.670 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1705740172 DIYOUKHHZGWQFD-TZIWHRDSSA-N 485.633 2.915 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705760343 HKPMJKKLJDMWPK-HSZRJFAPSA-N 467.058 2.678 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCO[C@@H]1C 1705858438 XSIANVQRHTVLML-VANUSSGQSA-N 481.597 2.923 30 10 JFEE C=CCNC(=O)Cn1c(N2Cc3ccc(Br)cc3C2)nnc1[C@@]1(OCC)CCOC1 1705908981 YXMJILSANSDNFH-OAQYLSRUSA-N 476.375 2.515 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCOCC1 1706751221 ICJJVJYLAXPHCH-HNNXBMFYSA-N 464.364 2.899 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1722294725 RXOXLZULMSIEDF-MOPGFXCFSA-N 464.570 2.889 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1722306171 ZGXDPUUCYVVPRJ-HXUWFJFHSA-N 489.624 2.929 30 10 JFEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722331445 HFUPSYGFIZAOSM-UHFFFAOYSA-N 451.619 2.514 30 10 JFEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1722334476 YAZRBZZXSLBGHB-GOSISDBHSA-N 460.026 2.857 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1CCC(OC)CC1 1722341766 DECISPNGLGARBK-UHFFFAOYSA-N 473.021 2.820 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCC(C)CC1 1722350283 SLOQPZDXTGMSDG-UHFFFAOYSA-N 457.648 2.820 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1722380247 JCNCMZKRAISZED-FQEVSTJZSA-N 474.565 2.504 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1722438894 GLDJVXOURSTJHU-HSZRJFAPSA-N 450.631 2.753 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722455443 SDXFENGKLIIKBC-UHFFFAOYSA-N 486.642 2.959 30 10 JFEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)OC)CC1 1722456703 CLLQVDOGYFAMFX-UHFFFAOYSA-N 464.389 2.962 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722495325 GNZACEIWHBQWFC-HBMCJLEFSA-N 455.584 2.811 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722605024 RQUKSFZBCFRLPZ-ROUUACIJSA-N 485.651 2.812 30 10 JFEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(O)c1 1722679896 PHSKPBRUIJJPIB-UHFFFAOYSA-N 456.572 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OCC(C)C)C1 1722724199 QCEWKWLITMNPRF-MRXNPFEDSA-N 486.436 2.888 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1722736938 NNOXBZYSOSBJBF-RTBURBONSA-N 466.991 2.962 30 10 JFEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)no1 1727462685 HWYITVYDNPGMKV-SFHVURJKSA-N 451.531 2.780 30 10 JFEE 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CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282349070 UHEKMTRARQESTQ-ROUUACIJSA-N 498.476 2.615 30 10 JFEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2282493863 WAICFIGPGXYUIB-UHFFFAOYSA-N 480.436 2.805 30 10 JFEE CCn1cc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282534982 JPHKHRKQNOTQRF-UHFFFAOYSA-N 452.408 2.939 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)n1 2282589798 SGRWERZBZRUXCK-HOTGVXAUSA-N 462.400 2.672 30 10 JFEE Cc1csc(C(=O)N[C@@]23CO[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282601004 ZBJZVUWVLPBXKQ-HUYGQZFBSA-N 478.420 2.910 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282625331 UDCAMUMCMDKBQG-CALCHBBNSA-N 460.384 2.684 30 10 JFEE Cc1cccc(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282646434 ZEEVGVNAKKNYEB-KRWDZBQOSA-N 462.396 2.642 30 10 JFEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282669318 RRLFFTBQNUJNCK-QRVBRYPASA-N 460.380 2.786 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2282674656 NMJPIBDAZCNPQE-APWZRJJASA-N 459.396 2.889 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C 2282684510 RJCWTGOUXWHMND-XIFFEERXSA-N 483.440 2.912 30 10 JFEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1CNC(=O)OC(C)(C)C 2282867612 BHSKYYIBJVRWNJ-SJORKVTESA-N 480.436 2.767 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2283942563 LPIXGHXFVDTZOV-GDBMZVCRSA-N 464.343 2.681 30 10 JFEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cn(C)nn1 2283970319 SZBWNCXYXYGTCG-KRWDZBQOSA-N 461.372 2.583 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCCO1 2283990848 KVDGSLPZPXGSAS-JOCHJYFZSA-N 465.331 2.532 30 10 JFEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2284052780 HHYKZHWXYJMJDZ-HNAYVOBHSA-N 460.380 2.803 30 10 JFEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)c1cc(=NC(=O)OC(C)(C)C)[nH][nH]1 2284059312 SNLQZNHTSNGALB-GFCCVEGCSA-N 477.396 2.768 30 10 JFEE C[C@@H](NC(=O)[C@@H](C)N1CC(NC(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2284060507 OJGHOTZMQWOBRL-HUUCEWRRSA-N 479.452 2.822 30 10 JFEE Cc1cc(CNC(=O)[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2284148534 RVRCXSUHRKVUPN-QHCPKHFHSA-N 480.436 2.734 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2285964313 DIMDQUCLJAAALY-SJORKVTESA-N 484.761 2.800 30 10 JFEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302944205 BOKXNWPKWMHEGD-WOJBJXKFSA-N 450.601 2.655 30 10 JFEE COc1ccc(N2C[C@@H](c3nnc(SCCCO)n3N=Cc3ccc(O)c(OC)c3)CC2=O)cc1 2325881979 DSRRHWZTHPWREU-KRWDZBQOSA-N 497.577 2.878 30 10 JFEE CCCNC(=O)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccn1C 2326183283 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2.681 30 10 JFEE CN[C@](C#N)(Cn1cnc(I)c1I)[C@@H]1CC12CCC2 2345029177 XIBYPEUTKFTCTI-NOZJJQNGSA-N 482.107 2.764 30 10 JFEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2365477440 NGLYBQAXSKMHHJ-AWEZNQCLSA-N 470.322 2.534 30 10 JFEE Cc1scc(C(=O)N=c2nc(CCNC(=O)OC(C)(C)C)[nH]s2)c1B1OC(C)(C)C(C)(C)O1 2369536647 QWOCMZPKZHBMTD-UHFFFAOYSA-N 494.448 2.949 30 10 JFEE OCCCSc1n[nH]c(N/N=C/c2cc(Br)c(O)c(Br)c2)n1 59880584 MRDPWWXOXYNIHW-GIDUJCDVSA-N 451.144 2.956 30 10 JFEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccccc1Br 59884624 XTUSHPIERNPSSE-AWQFTUOYSA-N 491.331 2.839 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1F 102748337 PAXBGJTVRIGSFI-SADKCHQCSA-N 458.461 2.727 30 10 JFEE CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 254348824 JVQMLYSVAKTVOC-NRNHFWIGSA-N 469.519 2.970 30 10 JFEE CC(C)[C@H](C)C[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C 256440668 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UFEWVBXFJCIQCD-LJQANCHMSA-N 450.564 2.988 30 10 JFEE C#CCCN1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)CC1 1147843823 PXRORVZJMMJUFO-UHFFFAOYSA-N 455.580 2.738 30 10 JFEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)CC1 1164681910 BTYBFBVCVUFQSG-LJQANCHMSA-N 453.959 2.817 30 10 JFEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(OCC(F)(F)F)nc1 1286381606 NLMGIJDGJCXJAM-WMZOPIPTSA-N 453.465 2.650 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1286385720 ZJYMSDOGGXXQMU-IBGZPJMESA-N 482.610 2.777 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1286386459 ABEIPDDJFBEIJV-MRXNPFEDSA-N 481.416 2.761 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([S@](C)=O)CCC1 1286413157 IIWGFVUTMYKRAD-XIFFEERXSA-N 473.643 2.767 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccnc(SC)c1 1286438113 AYGHQOZFZFVZDC-UHFFFAOYSA-N 479.635 2.866 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N(C)C 1286455461 VMVFDVBGGLRWPJ-UHFFFAOYSA-N 476.965 2.664 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1ccccc1F 1286469606 KHOUHRLWJDNQOF-TZIWHRDSSA-N 471.577 2.852 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2C)CC1 1286481797 XTJBBTFUTIJNBV-QFIPXVFZSA-N 480.613 2.698 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1286530232 JOTQVXVMWWHQGW-UHFFFAOYSA-N 477.407 2.798 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(=O)(=O)CC 1286557115 HEKGATRPCWPXKF-IIBYNOLFSA-N 468.570 2.999 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286565804 LFDRDYFXTXIMPO-SJHHWCTQSA-N 484.597 2.815 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1286588219 MNXXLERLOKYPAD-UHFFFAOYSA-N 453.547 2.607 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286593513 ODLPVOXNNAWZTK-UHFFFAOYSA-N 452.607 2.723 30 10 JFEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286699741 VVWBIGBIJJYEPJ-NRFANRHFSA-N 459.616 2.790 30 10 JFEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286773357 GHVJZLBBQBBYPT-HNNXBMFYSA-N 467.530 2.510 30 10 JFEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286776986 QNGAEZMHBALOHW-UHFFFAOYSA-N 452.559 2.861 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1286778848 KNMUDXFMOFVOGM-UHFFFAOYSA-N 471.993 2.551 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286797127 SKJWFODZMLMRIJ-RUZDIDTESA-N 482.585 2.841 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC[C@H]2CC)C1 1286798347 JSBIIURZTYDWGH-WOJBJXKFSA-N 453.591 2.971 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)CCC)cc2)C1 1286809948 WXFVROATBJHYLF-VQTJNVASSA-N 452.559 2.797 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1cccnc1N1CCOCC1 1300324695 KLWYHGZEPURHPH-GOSISDBHSA-N 450.518 2.734 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C)on2)c1 1300331343 JLUUVCQYFMMMJF-RUZDIDTESA-N 478.553 2.720 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2scnc2C)c1 1300333333 ZUJGJKFSVLOESF-UHFFFAOYSA-N 458.551 2.799 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300483415 LLGOFODGSJZXHI-HOCLYGCPSA-N 499.406 2.756 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1300487149 GYEZBOOEHVAGNZ-JOCHJYFZSA-N 486.686 2.668 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1300497314 YFUFLRGMQCDRIT-MJGOQNOKSA-N 482.528 2.866 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300501654 MRNRWRCAEWXYFI-INIZCTEOSA-N 466.966 2.729 30 10 JFEE C=CC1(CC(=O)N[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 1300656554 JLEDGMYYCZBNAJ-MRXNPFEDSA-N 451.564 2.694 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](CC)N2CCCC2)CC1 1300719135 PMZHHZQWKMHCEC-FQEVSTJZSA-N 452.578 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCC(=C)C)CC1 1300729392 YCYOJZSKQQMREV-UHFFFAOYSA-N 460.582 2.909 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1300863643 QPQKMPBLEOKENK-ZCNNSNEGSA-N 488.633 2.989 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300895580 AGFZDRABPYYHDL-VBRUWADQSA-N 476.622 2.730 30 10 JFEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1300972178 HZDJHNSZYZKILP-LJQANCHMSA-N 484.992 2.924 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300991928 YFEYWNSOASMYOM-IBGZPJMESA-N 484.992 2.647 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1301000282 PKOLHIXDDKQCHT-UHFFFAOYSA-N 479.585 2.706 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301056511 DGDXHQGWWNRYPH-MRXNPFEDSA-N 460.387 2.781 30 10 JFEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC[S@@](=O)CC)CC1 1301088847 IBTFEBDXZCBFBN-YTTGMZPUSA-N 456.660 2.568 30 10 JFEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1301248505 GHTDZAVINSWPMM-SZPZYZBQSA-N 483.661 2.503 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1)C(C)C 1301367713 RUDXLWNRMKXCIB-XPWALMASSA-N 490.718 2.553 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1301482867 FBOFHHYRTJSDRA-MRXNPFEDSA-N 487.511 2.999 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1301508672 QCBQUTKOANDVOA-UHFFFAOYSA-N 456.616 2.604 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC)[C@H](C)C1 1301575836 KVTFMBDCIHOXMH-MRXNPFEDSA-N 469.558 2.678 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCC2=O)CC1 1301578394 ZOYPWUGRYZLDTC-UHFFFAOYSA-N 478.018 2.791 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1301587257 XSFQIGYAIVNDSA-QGZVFWFLSA-N 467.636 2.888 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1301967442 DDIZSIJESIPTFL-VAMGGRTRSA-N 475.638 2.709 30 10 JFEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1302452804 BORLFKCTKGDUQD-UHFFFAOYSA-N 465.602 2.816 30 10 JFEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1302478904 IFTCZNAFZXZNFK-LJQANCHMSA-N 463.007 2.686 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@](C)(O)c1cccs1 1303402011 CWNLPAZNDGBZNF-XMMPIXPASA-N 497.600 2.723 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1358904538 GOCFMBIJCMYRBN-QZTJIDSGSA-N 482.651 2.528 30 10 JFEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1358933256 NAZATEPZIBKTHJ-UHFFFAOYSA-N 461.614 2.931 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1359016004 LWXMDLVXTATEMA-NVQXNPDNSA-N 483.588 2.968 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CC(OCC)C2)CC1 1359038868 NSCRAHUCEJKHPJ-UHFFFAOYSA-N 481.641 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2nc(C)no2)CC1 1359041462 XAMALXOEGOLYJS-QGZVFWFLSA-N 495.559 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1359045633 OGWYXBQMEWKGFR-FQEVSTJZSA-N 466.605 2.706 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN(CC)CC)cc1 1359063779 DBKDJRPYXOAJLX-NTKDMRAZSA-N 472.659 2.771 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCN(C(C)=O)CC1 1359066384 ZAPUYIIVDBMEMM-XMMPIXPASA-N 472.540 2.703 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359137146 GMHHZXDGVQPMAU-GXRSIYKFSA-N 461.651 2.946 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOCC(F)F)CC1 1359161859 UAQVVOJIMBURLN-UHFFFAOYSA-N 455.531 2.634 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1)c1ccccc1 1359194680 ZQNUGFRUZNZMFW-OAQYLSRUSA-N 462.602 2.836 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1359215892 LNNWHQVBNYYXNQ-MGPUTAFESA-N 481.569 2.979 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@@H](C)C1 1359258612 WRHHWENFXHEAMR-RBBKRZOGSA-N 452.603 2.923 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCO[C@H]2C)C1 1359320030 KRRLEXIKKDVKQW-TXNPELCJSA-N 491.633 2.714 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1359330657 YNIJASGHNOGITQ-IBGZPJMESA-N 499.641 2.683 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1 1446789425 OGYQDMRLSBPIJZ-UHFFFAOYSA-N 451.589 2.918 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c3ccc(Cl)cc3)cc2C1=O 1453805759 BTMIRIJISFKAEX-MOPGFXCFSA-N 456.882 2.517 30 10 JFEE C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)CC1 1470909340 YKLJKHSOAGCTNQ-UHFFFAOYSA-N 457.983 2.873 30 10 JFEE C[C@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1494601835 BXRFEMOGEHCFCM-FQEVSTJZSA-N 451.619 2.786 30 10 JFEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCS(=O)(=O)C2)cc1OC 1502788563 CUHSKZUVGJDNCP-DLBZAZTESA-N 461.588 2.916 30 10 JFEE C#CCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507594524 QFLACHQDRACUNA-DHLKQENFSA-N 462.642 2.856 30 10 JFEE C#CCCCn1c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1507598699 HBBQZQTYIIGSEY-HFZDXXHNSA-N 465.598 2.990 30 10 JFEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507710639 RXWOMJVAGBGXKN-HXUWFJFHSA-N 476.503 2.776 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1507727763 TVVSFYFWVDJAAC-JOCHJYFZSA-N 461.614 2.606 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1507733756 LEQHKOGNWMSWAB-NRFANRHFSA-N 478.641 2.636 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507749522 ZHBMYPCWBAODQL-UHFFFAOYSA-N 489.605 2.922 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1507755306 TZDBSXDUDAYDBQ-LJQANCHMSA-N 487.029 2.602 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507779245 LZVNWPMYTSWYEM-RHSMWYFYSA-N 468.400 2.961 30 10 JFEE C=C(Br)Cn1c(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507791101 HGXXRFYEZFDFFF-XLSPSMHOSA-N 455.397 2.946 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCCC2)CC1 1507791131 HZJPVNNZUWRCHT-WMZOPIPTSA-N 454.413 2.975 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1507806541 AWGTWPHSOVDDQQ-XLIONFOSSA-N 461.636 2.926 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1507820466 DQFJUFOXYJGZFM-HXUWFJFHSA-N 459.616 2.745 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507857473 OISTWKFWNVNKLK-OAHLLOKOSA-N 469.815 2.957 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1507885154 SWRPANRYQROMKM-MSOLQXFVSA-N 473.590 2.983 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1507973070 QMTJGUPSTDYGGT-LTMIRXACSA-N 459.616 2.759 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1508011157 NGXMZHUGJUBRQK-JOCHJYFZSA-N 472.640 2.590 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508048577 UGSODEBEAXBDHE-HNNXBMFYSA-N 496.431 2.907 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1nccs1 1508097894 MBPYQRMNHZPJKX-HNNXBMFYSA-N 461.592 2.745 30 10 JFEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508109308 QEDOVPUTFWVQHC-UHFFFAOYSA-N 459.616 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCc2sccc2C1 1508143025 ISRPLWWZTDQTRF-UHFFFAOYSA-N 491.664 2.885 30 10 JFEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)no1 1513740033 GWLXJRQKYBORPW-HDICACEKSA-N 464.574 2.550 30 10 JFEE N#Cc1cccc(OCc2ccoc2C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 1514587750 AQMFYYLTIZZWNS-HSZRJFAPSA-N 459.502 2.930 30 10 JFEE N#Cc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)nc1 1522111573 DUUMWPQEADGAKP-UHFFFAOYSA-N 456.307 2.638 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)N1CCOCC1 1538976649 NUWYJYSRCRDLHV-MRXNPFEDSA-N 450.568 2.694 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1539029464 JKIBYDQMGRDLJV-MSOLQXFVSA-N 462.579 2.781 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539230639 OLBKFFKCSFQEQB-IBGZPJMESA-N 486.667 2.806 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539289850 OTWZAFXLNNGJMD-IBGZPJMESA-N 481.906 2.846 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 1539364874 CGNCEUNIRYCWOU-VXKWHMMOSA-N 487.693 2.878 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)C(=O)NC 1539402866 KLMMNEPBXYMDHY-UHFFFAOYSA-N 466.355 2.705 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOCC)CC1 1539618851 BFBKQLOVYDXENM-GOTSBHOMSA-N 450.587 2.956 30 10 JFEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1539830972 AQHUSXBBCGQIDT-DEOSSOPVSA-N 489.642 2.774 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1539902668 LVKAQBCHYQGMEM-QGZVFWFLSA-N 492.646 2.663 30 10 JFEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539972088 ZXUPSJQQFRUTHF-AVRDEDQJSA-N 471.675 2.979 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1540187193 MBYXJIGQYGKTFO-GOSISDBHSA-N 472.567 2.771 30 10 JFEE C=CCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1540860538 XRUAKVLYFYYFGI-SIKLNZKXSA-N 452.603 2.594 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540869473 OIBPVSZHLQZRLC-SFHVURJKSA-N 469.590 2.786 30 10 JFEE CC(C)CCOC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1541527490 CWNDXDPRRUXCOE-UHFFFAOYSA-N 454.575 2.848 30 10 JFEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(CN3CCOCC3)CCCCC2)CCOC1 1547852478 CTHJQGJIUBCGIT-OFVILXPXSA-N 474.650 2.951 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2cc(C)nn2C)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375625 RCWGANVFMIMQHQ-IBGZPJMESA-N 488.514 2.724 30 10 JFEE CCn1ncc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]3C(N)=O)c1C 1548377723 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C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1593887414 ZTQDZSXTASLQMG-ZWKOTPCHSA-N 483.013 2.692 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1595218613 LTNNRGIIVPKPRP-SFHVURJKSA-N 495.646 2.732 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1595799099 XKLPZOCUTVCWKL-QGZVFWFLSA-N 451.637 2.524 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)cs2)C1 1596005470 DIKWAUAAMWJQNM-LJQANCHMSA-N 465.583 2.847 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1596849582 HWKFPYPBWPVFAF-NVXWUHKLSA-N 466.995 2.530 30 10 JFEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CCC(C)CC1 1619061687 FAQPZNSZAMAAKQ-CSKUQDPHSA-N 466.586 2.991 30 10 JFEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c1 1644215114 UZCYXCKQGLOASC-LJQANCHMSA-N 453.442 2.849 30 10 JFEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1)OC 1649573036 HJAVGXNGDPAXGG-QFIPXVFZSA-N 492.628 2.826 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1 1658319947 COVDRDPNDSLPJQ-KRWDZBQOSA-N 452.577 2.966 30 10 JFEE C#CCOc1cccc(NC(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)c1 1659225790 GXVRWCLTLWCVJW-LJQANCHMSA-N 456.543 2.774 30 10 JFEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C2=O)cc1 1662149064 ABECPOGMZMFCMJ-GOSISDBHSA-N 453.442 2.665 30 10 JFEE CN1C(=O)C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 1687635654 HGNDQBWCIPLREA-JTHBVZDNSA-N 453.493 2.636 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2CCN(C(=O)OC)CC2)c1 1689870072 ARTSSSPTAUEIEU-UHFFFAOYSA-N 487.564 2.875 30 10 JFEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1689928744 VYPHMKZDXZBBAW-BDTNDASRSA-N 456.635 2.560 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689982053 HCVXHNZYXFAFLQ-HFTRVMKXSA-N 498.447 2.724 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689996653 LKHHHTZQTOHTNX-RXVVDRJESA-N 490.626 2.554 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccsc1 1690036776 AQKZCPCUHYGZSQ-QHCPKHFHSA-N 468.604 2.781 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(OC)c2)CC1 1690137637 FTKWCKHJXSXVKF-MHZLTWQESA-N 495.624 2.536 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1690183389 WNWGUGHFURYHHK-UHFFFAOYSA-N 473.647 3.000 30 10 JFEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690472158 GEHQQOQSHBAMAM-FQEVSTJZSA-N 486.592 2.504 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1690523910 SRYXCWJYHOGHJC-UHFFFAOYSA-N 462.558 2.650 30 10 JFEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690525947 UPOAFVWHFIMHOF-GOSISDBHSA-N 476.622 2.510 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1690567973 WJASAFLUGPZGSA-LJQANCHMSA-N 475.590 2.813 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690636361 VUWMNTPTTWWAII-UHFFFAOYSA-N 456.591 2.529 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCCS2(=O)=O)C1 1690688346 TWDWNPAQTBNHNE-SFHVURJKSA-N 496.431 2.524 30 10 JFEE Cc1n[nH]cc1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1692915171 HPEQAWTUNRDQFO-IAGOWNOFSA-N 455.588 2.739 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(OC)CCC2)CC1 1697083573 DYISGCXZNOGPOD-UHFFFAOYSA-N 454.531 2.576 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705511511 WXNQBGQLFLSKHR-RUZDIDTESA-N 480.569 2.580 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1705538168 DTXBXVAOMOMXMC-UHFFFAOYSA-N 480.594 2.983 30 10 JFEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1705538676 WVBJAMGDDBWYHQ-UHFFFAOYSA-N 472.952 2.569 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1705568186 IZADRPIMPAZYRZ-LJQANCHMSA-N 485.997 2.623 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1705605297 HGZMCOPDYZIRHS-FQEVSTJZSA-N 453.465 2.883 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)C2CC2)CC1 1705645764 DNHABCDCYMVVQV-HSZRJFAPSA-N 486.414 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1705647947 MLJCTHYCBQUCQW-TZIWHRDSSA-N 481.597 2.614 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccccc2C)CC1 1705648827 ZYFFULHJUJACTK-NRFANRHFSA-N 451.571 2.525 30 10 JFEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705681711 BNHUOVWBGMNVEL-CYBMUJFWSA-N 469.290 2.669 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1705689977 GKPRWHGCELIXBK-MRXNPFEDSA-N 476.375 2.975 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705699720 KYADRXSDALOTPF-BNDYYXHWSA-N 472.634 2.589 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1705722826 JPHWBEUNHSMUDY-UHFFFAOYSA-N 451.369 2.591 30 10 JFEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCS(C)(=O)=O)CC1 1705764428 YGINXSKMXVHFJH-UHFFFAOYSA-N 456.572 2.553 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705791072 NCEDWLCPRLULAR-UHFFFAOYSA-N 499.641 2.962 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1705877634 KUNRHFQSSNLWOD-UHFFFAOYSA-N 467.595 2.515 30 10 JFEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1705889220 ZWSXHYPRSGIAAD-UHFFFAOYSA-N 467.492 2.993 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(C)(C)C)C1 1705902406 DHIOQMSLNAAODL-IBGZPJMESA-N 452.607 2.627 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705903788 UKOUJIHEACKVST-ROUUACIJSA-N 466.369 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C[C@@H]1CCOC1)C1CC1 1705931704 XYEPGMCZVAUDJF-HNNXBMFYSA-N 498.447 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C1CCCC1 1705934473 NQRSWXFNPKBJPQ-UHFFFAOYSA-N 470.599 2.562 30 10 JFEE CO[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1711556856 HHOZNKDFLOIPFB-HSZRJFAPSA-N 460.586 2.990 30 10 JFEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1722310100 HHVOUVKPJIIAKG-IBGZPJMESA-N 487.674 2.507 30 10 JFEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722314052 FLWHCLQLOPXCNE-HSZRJFAPSA-N 485.654 2.942 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1722363142 QUUSOCIDEMABBY-LJQANCHMSA-N 483.569 2.943 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722368136 ZQICKEQHZFOACM-LJQANCHMSA-N 477.656 2.610 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@H]2C)CC1 1722443196 DZTHDVMKSNFVSB-WIYYLYMNSA-N 483.638 2.751 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1722503362 ZTKBDVHQJSLYPE-IIBYNOLFSA-N 452.552 2.509 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1722516613 BSQBORPZMFBUEC-SFTDATJTSA-N 482.695 2.524 30 10 JFEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1722560531 CBKYLULDJXAJRU-QHCPKHFHSA-N 476.599 2.569 30 10 JFEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CCO)Cc1ccc(Br)s1 1722684507 YILRYAAAMCLBJS-UHFFFAOYSA-N 487.387 2.930 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722694960 NKFHGDHTJBVWLM-FQEVSTJZSA-N 498.609 2.997 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N2CCNC2=O)CC1 1722696024 YFEVELORVUISEO-UHFFFAOYSA-N 478.384 2.548 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722726044 XNISUKNWCLOMNH-JKSBSHDWSA-N 481.018 2.972 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1722736552 AODGZAPBFHONBG-FQEVSTJZSA-N 463.648 2.988 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCSC(F)(F)F)c1 1731178573 BAOUCDZEDMBBTC-UHFFFAOYSA-N 454.478 2.540 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCCC1=O 1740531676 QIEIBOIZINWXKM-KRWDZBQOSA-N 456.978 2.722 30 10 JFEE 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30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1740990181 LBRWAAIJBKBPKU-KRWDZBQOSA-N 475.644 2.737 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 1740993920 KDOLNUWHWIAXRG-UHFFFAOYSA-N 477.606 2.662 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1741131963 HYZMVRDHJQGDLA-ROUUACIJSA-N 491.566 2.932 30 10 JFEE Cn1ccc(CCn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@@H](C#N)C2)n1 1748022956 AMTPURSQHZTMGV-HNNXBMFYSA-N 460.311 2.552 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1748649583 QBRQOHWETIHFRR-ZIAGYGMSSA-N 467.389 2.609 30 10 JFEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1748708159 XQKHZRIFHKPHMF-OAQYLSRUSA-N 451.619 2.610 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1748736331 YKELLNDGELGCMB-UHFFFAOYSA-N 450.543 2.994 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1748771728 NJSDFPNEVAVFSI-SQJMNOBHSA-N 453.587 2.845 30 10 JFEE 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2.803 30 10 JFEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2C[C@@H]21 2282843697 RCBKQODRBOZRFZ-ROUUACIJSA-N 482.383 2.507 30 10 JFEE CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283969912 RQSFQRMRKLTODP-CVEARBPZSA-N 461.368 2.591 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C 2283987993 PFMXKZNARRJLQQ-HOTGVXAUSA-N 480.436 2.732 30 10 JFEE Cc1csc(CNC(=O)c2cn(C)[nH]c2=NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2283988029 PSYHHIFAOFSMLL-UHFFFAOYSA-N 476.408 2.788 30 10 JFEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2284056451 JJOPYWACBOCQSJ-MAUKXSAKSA-N 462.396 2.827 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1(C)C 2284059857 JFFKJOPHZIASLF-WNSKOXEYSA-N 480.436 2.718 30 10 JFEE CC1(C)OB(c2ccoc2C(=O)N2CC[C@@](COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2284462012 AUGYGDUDLGSCQA-XMMPIXPASA-N 455.316 2.713 30 10 JFEE 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2.992 30 10 JFEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359218004 URWBWNMLSMAAGB-UHFFFAOYSA-N 470.574 2.880 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1SC 1359282385 ZEEBONMQRJCJCZ-HNNXBMFYSA-N 454.593 2.728 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(Cl)cccc2C1 1359304440 YBYHJYZKTCZCNX-UHFFFAOYSA-N 470.986 2.788 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1359329684 QXRVQNVVBRRKAF-HXUWFJFHSA-N 465.583 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCSC1 1359332518 ZKLYVEHKINKFHN-ROUUACIJSA-N 499.703 2.935 30 10 JFEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1359411879 ADORLYLTAWAEMD-UHFFFAOYSA-N 484.626 2.525 30 10 JFEE CC(C)(C)NC(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1359550468 DGLSRZQINLFHQU-AWEZNQCLSA-N 479.354 2.880 30 10 JFEE CN(C)c1cc(C#N)cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 1464703909 DKHDZFRHXFHBHJ-UHFFFAOYSA-N 452.989 2.876 30 10 JFEE C#CCN(C(=O)CCn1cnc2c(N)ncnc21)[C@@H]1CCOc2ccc(Br)cc21 1465179666 JJUJBSIUHACRDO-OAHLLOKOSA-N 455.316 2.547 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1469877826 VQNQVLPIQCFMSI-UHFFFAOYSA-N 458.536 2.913 30 10 JFEE CN1CC[C@@](O)(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1503677488 AMIBEFNNEHGYAO-DQEYMECFSA-N 487.649 2.589 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1c[nH]nc1C 1507536717 DOFPTFNIGOLUEO-APWZRJJASA-N 457.579 2.709 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1507554098 LDPMTIXVGNTMQO-UHFFFAOYSA-N 479.629 2.597 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccccc1C(C)C)[C@@H]1CCS(=O)(=O)C1 1507631883 GVFIVMFZSCRJMD-VQTJNVASSA-N 472.611 2.611 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1507638406 FFZUEXFFVSCSLS-OAQYLSRUSA-N 483.638 2.971 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCc2ccccc2C1 1507661436 VOUSBJQMKBSVAJ-MHZLTWQESA-N 461.610 2.840 30 10 JFEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCCOC1 1507779712 FZUDXADJPHOJCN-OAHLLOKOSA-N 459.352 2.692 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507807251 PAKDRQKDDQHDJD-UNMCSNQZSA-N 469.634 2.816 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1NC(=O)CC1(C)C 1507818410 MDJCPNDFLQFAMQ-KRWDZBQOSA-N 473.647 2.864 30 10 JFEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507859275 QQPYHRVYTASZLF-UHFFFAOYSA-N 456.934 2.617 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccccn2)CC1 1507943414 YHFJFFBQHFFEPZ-UHFFFAOYSA-N 481.626 2.883 30 10 JFEE C=CCOc1ccc(Cn2c(COCC)nnc2N2C[C@@H](N3CCCN(C(C)=O)CC3)[C@H](C)C2)cc1 1508103167 CITNNCNXHQHCGP-PXDATVDWSA-N 496.656 2.807 30 10 JFEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCN(C(C)C)C1 1508999993 DNIOGIWVJKMJLN-VQTJNVASSA-N 451.623 2.899 30 10 JFEE CC1(C)CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1510301793 AJCIABRCPWXPHZ-YKSBVNFPSA-N 487.626 2.683 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1516942365 GNLSNWHGSHZZDA-WOJBJXKFSA-N 468.558 2.678 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1539044130 YQPZDQKKGDYVHA-GGAORHGYSA-N 478.597 2.834 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1539101758 HPXVVAQQBTZGRP-UHFFFAOYSA-N 493.637 2.633 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539154166 BQZHYFBNQZAJSG-OAHLLOKOSA-N 470.375 2.774 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1539205779 KKRGDVOEKAIHIR-MRXNPFEDSA-N 480.928 2.865 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(=O)CC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539219955 OQXNXWOOQWFVCC-HXUWFJFHSA-N 457.600 2.500 30 10 JFEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539230801 KJAOUBGVSBAJCH-LJQANCHMSA-N 472.611 2.572 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1539526469 PDBWGUISDWRZIE-INIZCTEOSA-N 471.612 2.711 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cccc(F)c2)CC1 1539532902 FRDSNGQXOSGJLW-UNMCSNQZSA-N 473.618 2.830 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1539577076 GBYKQGHYIJQJBS-UHFFFAOYSA-N 493.381 2.897 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1539920266 AHYXXCOQQVAZLM-ZWKOTPCHSA-N 476.622 2.904 30 10 JFEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1540089309 XULGUDVDYIUAOC-UHFFFAOYSA-N 467.686 2.880 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCCC1 1540120292 RFQSIPAHLDACSP-UHFFFAOYSA-N 466.586 2.761 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1540128831 PXVQVMUHKHIMBE-RTWAWAEBSA-N 484.626 2.721 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(CC)s1 1540871028 BTDNQCPAJXKQGL-SFHVURJKSA-N 454.556 2.748 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@H]2OC)C1 1540882806 ONOXELIBXXDQLV-CEWLAPEOSA-N 490.004 2.694 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2CN(C)C(C)C)C1 1540892791 RJVLSWINWKMUOX-GOTSBHOMSA-N 487.670 2.850 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(S(C)(=O)=O)CC2)C1 1540893054 WEZOISQDWZBYRX-HNNXBMFYSA-N 452.527 2.506 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1540901940 VPXYBXMVKAWKET-IBGZPJMESA-N 498.653 2.780 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540907702 FSLCCVFUFHRTTL-KRWDZBQOSA-N 452.588 2.962 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1541650592 HFGOARLMHPAGOL-UHFFFAOYSA-N 452.559 2.905 30 10 JFEE C#CCN(CC#CC)C(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1566072880 CAIZGDNMLMUGTF-UHFFFAOYSA-N 450.347 2.966 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 1587692669 HZIBUVDXVNMIAJ-MIZPHKNDSA-N 451.571 2.899 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 1587751682 DWZOAKQWAOSIIL-STQMWFEESA-N 459.915 2.806 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1587822720 BILOFEZKYGJFCK-GOSISDBHSA-N 473.599 2.865 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588034876 MXWPJTBZCJDIQE-KRWDZBQOSA-N 492.374 2.850 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588040301 LNMCHGMYUWFFQB-GHTZIAJQSA-N 467.595 2.998 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588064382 HEXJEUQDHYFCRD-HXUWFJFHSA-N 493.674 2.895 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1588070243 XOXUXCQXTNOHSZ-FQEVSTJZSA-N 485.997 2.889 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccnc(C(F)(F)F)c1 1588124247 HQZUDZKPUXBUOJ-UHFFFAOYSA-N 487.511 2.773 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(SC)CCOCC1 1588139237 OCGGDXYMUYHDIH-IBGZPJMESA-N 489.642 2.572 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCCO2 1588173741 IOGKICNBGQMDSS-UHFFFAOYSA-N 456.506 2.598 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCn1ccnc1C 1588185497 HKROGCUCXNSACC-UHFFFAOYSA-N 492.653 2.995 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@H]1OC 1588637654 IJHVNNAIQGACOX-PWRODBHTSA-N 491.633 2.530 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(Cc3cccs3)CC2)CC1 1588733687 YOUWYRRQDNAMKL-UHFFFAOYSA-N 497.713 2.925 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)CN(C)C)CC1 1588898982 JLDISXDSBYKEAO-UHFFFAOYSA-N 452.603 2.507 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1589171530 IUEZIOCADTVQEK-BKMJKUGQSA-N 464.614 2.889 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1593722155 KVEZRTCUTLVSES-UHFFFAOYSA-N 474.569 2.925 30 10 JFEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1593908026 FQTZXMQZRVGPEJ-INIZCTEOSA-N 463.995 2.737 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)CC=C 1594912954 BBIDTOYYNBLSFI-UHFFFAOYSA-N 455.378 2.939 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1595170333 ASFGCOBZJYMQQA-GPJHCHHRSA-N 470.662 2.928 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1595823172 LESJDFKRSMOPEN-IBGZPJMESA-N 453.927 2.553 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)nnc1-c1ccco1 1597483273 MIIGAYHEVHUORL-HSZRJFAPSA-N 451.552 2.862 30 10 JFEE COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(CC#N)C1 1616732066 BSLAHDAWUOHECG-HNNXBMFYSA-N 454.321 2.510 30 10 JFEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1)C(=O)OC(C)(C)C 1618264261 DXILLEKOALMWCJ-UHFFFAOYSA-N 491.600 2.744 30 10 JFEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)F)C1 1618632901 GXLOZNUDGLTVAP-SFHVURJKSA-N 481.507 2.866 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCCN(CC)CC)c2)c1 1625766925 QWDVKHUJWGUGKC-UHFFFAOYSA-N 455.580 2.808 30 10 JFEE C#CCCN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)CC1 1626212491 PRWCWCHWUMWNCB-IBGZPJMESA-N 450.352 2.750 30 10 JFEE C=C(C)CS(=O)(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1664612102 RBBZXYADOYZCRR-KRWDZBQOSA-N 453.609 2.552 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 1678430960 KHWAVLGZZUWLOX-UHFFFAOYSA-N 451.527 2.890 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1689831320 IZAIENFGRXZOJF-NBGIEHNGSA-N 459.635 2.812 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1oc(CC)nc1C 1689853057 ONXXUUOIYWJABD-DOTOQJQBSA-N 458.563 2.952 30 10 JFEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1689888472 JWPBSQZQMLVTAC-WOJBJXKFSA-N 471.606 2.778 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCCn1cc(Br)cn1 1689975515 ZTDIPOSPKWUHDG-UHFFFAOYSA-N 459.348 2.984 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(N(C)C)CCSC1 1690036151 XOEKPPVNMIEUKP-FQEVSTJZSA-N 461.433 2.936 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1690085753 FICRYNXYRLZLGB-MSOLQXFVSA-N 465.620 2.634 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)N1CCOCC1 1690095584 WCSPHEQPWWIVTF-MRXNPFEDSA-N 480.382 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N[C@H](C)CC)CC1 1690138377 ZZJLDEWFLSPTIQ-QGZVFWFLSA-N 471.005 2.869 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCCN1CCC(O)CC1 1690210634 GBKRMMQARYASJF-AREMUKBSSA-N 451.615 2.911 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1OC 1690245160 DLMXERGXZXADGM-DXIQSLLYSA-N 490.626 2.685 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690251780 ZFKNTMJWGIGEAM-VWNXMTODSA-N 487.670 2.810 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1690254045 WJIBETUQOHZCIB-PDGJWGCVSA-N 458.651 2.546 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690308693 WUFONYRBCFPUAF-SZPZYZBQSA-N 455.651 2.871 30 10 JFEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690311233 FZFXKIMXZFEXBC-IBGZPJMESA-N 457.575 2.983 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1690312669 ADZXBKHUEQYMCM-PZJWPPBQSA-N 460.600 2.659 30 10 JFEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690316678 JGXIAVZUNNAQEQ-RDGATRHJSA-N 480.657 2.645 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1690420408 NCLSDUGJSCXENL-KRWDZBQOSA-N 484.630 2.769 30 10 JFEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690482888 CJXJNKIITBFSBA-FQEVSTJZSA-N 452.607 2.723 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690663017 JMVQCNROWKTKOI-HOTGVXAUSA-N 490.402 2.881 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccccc1 1690674872 INXMRYJCFSSFFW-SFHVURJKSA-N 450.568 2.913 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690717263 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475.578 2.785 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1359258895 GMEQSGZHMGVSMB-REWPJTCUSA-N 475.684 2.810 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1359267475 HVCRYSFLTDIWGA-UHFFFAOYSA-N 457.600 2.786 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1359295307 XIZQPAWRLMCDOT-UHFFFAOYSA-N 464.570 2.870 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)s1 1455445129 JWNJCUFDDNMOMB-AWEZNQCLSA-N 450.582 2.918 30 10 JFEE CCN(CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1501954499 BTQSRVDWTNKZRU-QFIPXVFZSA-N 499.685 2.500 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS1 1504872653 GDLHCKDKKCVWOH-FQEVSTJZSA-N 454.600 2.934 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccccc1 1507530278 XBLDERBSTBLDMI-HXOBKFHXSA-N 452.584 2.604 30 10 JFEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507640561 TTXONTZCEDATOU-BQFCYCMXSA-N 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461.526 2.980 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCSCC1 1587633434 VFHBLZCOVUJLDP-GOSISDBHSA-N 462.664 2.899 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCc2ccccc2)c1 1587639816 NJQXJEWVRBJQRH-RXVVDRJESA-N 465.579 2.660 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1587904965 RJHLVQCYHOCVRP-KRWDZBQOSA-N 453.547 2.642 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588059555 QFULVVHGEODXJN-SBHAEUEKSA-N 474.602 2.840 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(Cc2ccccc2)c1 1588186101 RXABTPUYLZYKNQ-SANMLTNESA-N 458.566 2.686 30 10 JFEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1coc(-c2cccs2)n1 1588673700 XNHVPTRDTJRQQU-UHFFFAOYSA-N 451.556 2.991 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)CN2CCCCC2)CC1 1588763472 YEWCRDLDJXPUPQ-NRFANRHFSA-N 496.656 2.848 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1589544521 IDSKQHPPQDSRBN-WIYYLYMNSA-N 458.994 2.965 30 10 JFEE C=C(Cl)Cn1c(N2C[C@@H](N3CCOCC3)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593931847 ATCFPROVSIFEGI-OQIJWPOYSA-N 481.041 2.958 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1595297018 LPNSBWWRGPMNIY-IBGZPJMESA-N 462.664 2.620 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1595490351 QKVFSEYFHFEZOZ-KRWDZBQOSA-N 459.978 2.923 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595577242 MBYUTAWTUJOBGI-DFIYOIEZSA-N 469.586 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccccc2OCC)CC1 1595797380 FJCAGHXTYAEFIW-UHFFFAOYSA-N 459.616 2.872 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1595885011 YNDZNDAWJYGUBK-UXHICEINSA-N 462.641 2.895 30 10 JFEE CC(C)N(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1612657283 DNXDCQLCEFHRLM-FQEVSTJZSA-N 467.618 2.905 30 10 JFEE C#CCN1CCC(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 1638678816 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1690088791 WZLDEKQRGXMOCA-MHZLTWQESA-N 499.631 2.944 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690115479 HGQUMFKFXZNEHF-UHFFFAOYSA-N 462.019 2.711 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1690134784 FWVPLFJQWQZZME-RJGXRXQPSA-N 499.704 2.924 30 10 JFEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1690183885 ACTXMCWIELQUTK-UHFFFAOYSA-N 482.635 2.602 30 10 JFEE C=C(Br)Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1690234328 AHCIFFVBHLYHOC-OAQYLSRUSA-N 492.422 2.572 30 10 JFEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690310146 VLDRLWSRUJJQKR-GOSISDBHSA-N 472.615 2.785 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1690620295 WOVCGFDCXRMSPJ-IQGLISFBSA-N 466.586 2.865 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690672951 IYVUHINFNGVVKW-UHFFFAOYSA-N 451.550 2.911 30 10 JFEE 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2.879 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1722505320 BGGAZYLYARONDS-GIVPXCGWSA-N 475.615 2.669 30 10 JFEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722534540 QZDKPHQSYUPQOJ-FQEVSTJZSA-N 465.602 2.802 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)nc2OC)CC1 1722568335 IAUNTHRXBMAVDI-UHFFFAOYSA-N 454.556 2.887 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1722588135 LDLOCBIGURZAQP-FQEVSTJZSA-N 493.630 2.564 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1723777949 CCIGUHYLBXUVBB-SJLPKXTDSA-N 458.588 2.683 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccc(OC)c1)N(C)C 1740552801 YDNVXGIEULTYOF-OXQOHEQNSA-N 450.543 2.775 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(Br)c1 1740554124 WQWZOCJTFBTWPF-HOCLYGCPSA-N 481.416 2.652 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740585005 UCUYDYKZPZSAKG-UHFFFAOYSA-N 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COc1cccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)N(C)C)c1 1504324517 FHGRFYSNWBBMDD-PTLVVNQVSA-N 486.642 2.622 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CC)s2)c1 1507549987 DBUQELACVBABMY-HXUWFJFHSA-N 462.579 2.958 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(CC(C)C)c1C 1507665285 UMIWPLWBCIKRSJ-UHFFFAOYSA-N 468.569 2.593 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2([S@](C)=O)CCC2)CC1 1507735979 CGDDIOCLHAXPNK-YTTGMZPUSA-N 453.612 2.521 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1507835781 LZISTAKPYAYEKY-UHFFFAOYSA-N 463.542 2.550 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1508048527 SUZJFMOMWMZZSG-LJQANCHMSA-N 498.628 2.680 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccc(Br)cc2C1 1508073089 VHOYPQOHKROGOS-UHFFFAOYSA-N 475.391 2.781 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1508076541 UUDZOPQTQXHHOS-KHOMTPLRSA-N 469.586 2.721 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1508079490 XMHNFKBQYHHSNC-SFHVURJKSA-N 463.542 2.510 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1508136953 JETKDXMZKYFCQW-UHFFFAOYSA-N 496.515 2.790 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1508422981 HSFPEVKXYHGGMG-CRAIPNDOSA-N 454.472 2.867 30 10 JFEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N1CCOCC1 1509199336 AUTDIFFKCZHRMK-QFIPXVFZSA-N 465.646 2.781 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCCC1 1510425636 FNJRMMHUUALLCS-KRWDZBQOSA-N 458.636 2.771 30 10 JFEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 1519626395 HQRWFAGJKVOULL-WJOKGBTCSA-N 453.490 2.621 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1522163341 VQHJCFJZWDTYBL-MSOLQXFVSA-N 462.490 2.836 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1539004214 SRJIFLWWUXRJIH-MRXNPFEDSA-N 465.558 2.658 30 10 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30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCOC[C@H]2OC)CC1 1539436398 QWSYYQSTVSCXMT-OXJNMPFZSA-N 492.393 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2nnc(C)s2)CC1 1539468377 FNCFVHMMNYCFSV-MRXNPFEDSA-N 497.600 2.926 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539520984 ZGQBUXBRPBNIOR-UHFFFAOYSA-N 479.647 2.625 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539630316 ZOGYTKMEXLGAEF-ZJSXRUAMSA-N 481.645 2.620 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1539644302 GKRVRSOTQLBKMS-QHCPKHFHSA-N 466.630 2.922 30 10 JFEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539730570 PUNARXIZHDAGGL-JOCHJYFZSA-N 463.586 2.999 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1539743171 XZBSKJNABIIDNI-UHFFFAOYSA-N 453.572 2.660 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539836462 UOQVWQIKDAGOHC-GOSISDBHSA-N 485.585 2.622 30 10 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2.768 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(OC)nc2)CC1 1588899165 LPVIPYZUWPHQHR-UHFFFAOYSA-N 458.566 2.925 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCN2CC)CC1 1588961828 NKTSCEUENULSJB-JOCHJYFZSA-N 464.614 2.616 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1589078433 OIROTPKLUOMKSP-GOSISDBHSA-N 461.582 2.672 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1589109693 IYAGNTBDRYXOGF-MYGHRHJXSA-N 459.641 2.702 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccc(Cl)c1 1589663134 IQHACMBECPZYQG-KNQAVFIVSA-N 498.049 2.575 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1594625119 DRNJZRLOXZJVPR-FQEVSTJZSA-N 481.569 2.808 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCC1=O 1595085544 XOPPEAHCNUMCLK-UHFFFAOYSA-N 475.597 2.981 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1595551488 RACVYFBVKGLZTJ-YRPNKDGESA-N 488.633 2.904 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1595743679 DIKCLWAMACXVAM-ZWDAVXSWSA-N 493.402 2.941 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)CC(C)(C)C1 1595789280 QJWKJSKDITTXQL-KRWDZBQOSA-N 494.687 2.711 30 10 JFEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1595890528 XOTFLZOKDVKITC-GOSISDBHSA-N 487.033 2.973 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1595905079 CLMMKEBHRSBTOR-UFYCRDLUSA-N 461.636 2.971 30 10 JFEE C#CC[C@@]1(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)CCCN1C(=O)OC(C)(C)C 1611235651 JLVOVEUGZNJPTH-RPWUZVMVSA-N 454.527 2.815 30 10 JFEE COC(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@@H](C(=O)OC)C1 1616522006 BBDGKHCXMISHED-FXAWDEMLSA-N 458.559 2.847 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2N(C)CCCC2(C)C)cc1OC 1619210394 CYAYLROQQGSSDA-RXVVDRJESA-N 454.575 2.811 30 10 JFEE CCOc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1 1632480397 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CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2289800830 SFTKNFRJZWGLIU-HNNXBMFYSA-N 482.408 2.925 30 10 JFEE COc1ccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 2297747817 UXWVDTSMEKILPX-QHCPKHFHSA-N 484.524 2.987 30 10 JFEE C=CC1(N[C@]2(C(=O)O)C[C@H]3C[C@@H]2C[C@H]3NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2326239130 BGDLEHFLKLYGDA-PPERFZGRSA-N 451.564 2.898 30 10 JFEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)cc1 2327829828 DIAZCVSFRKPFDK-INIZCTEOSA-N 458.588 2.599 30 10 JFEE COc1cccc(C=Nn2c(COc3cccc(C)c3C)nnc2SCC(N)=O)c1OC 2328836747 JDROCIGIEGSPNW-UHFFFAOYSA-N 455.540 2.951 30 10 JFEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2330736014 XUAZHDBPVUNWHM-UHFFFAOYSA-N 497.537 2.703 30 10 JFEE CCOc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c1 2330794406 LXAWCZPSGXVWBW-UHFFFAOYSA-N 466.567 2.604 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)OC2)C1 2337100564 AKUQMLBNBFCXSA-COYMHYPVSA-N 463.575 2.578 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2337396277 LKJOOXXYUMDDIP-JOCHJYFZSA-N 463.409 2.915 30 10 JFEE COC[C@@H](CCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1)NC(=O)OC(C)(C)C 2339826379 VHYGFXAMBNEQAT-OAHLLOKOSA-N 452.357 2.698 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1C 2362440034 ABIZPIVJTDXTGT-XLIONFOSSA-N 452.408 2.763 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)n1C 2362490192 PVULORXZSKEXNN-UHFFFAOYSA-N 494.401 2.559 30 10 JFEE Cc1ncn(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)c(=O)c1I 2368990411 BSWBJQJFPWVSEJ-UHFFFAOYSA-N 470.091 2.643 30 10 JFEE Cc1cc(CNC(=O)COC[C@@H](C)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682933 SIZBRYIMWSSTSW-QGZVFWFLSA-N 462.396 2.840 30 10 JFEE CCOC(=O)C1=c2c(=Cc3ccccc3OC)c(N)c(C#N)n2C(=O)[C@H](c2ccccc2OC)S1 6458388 RWTDXWZVLSTIIP-QHCPKHFHSA-N 489.553 2.588 30 10 JFEE aggregator C=CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(Br)ccc21 13794846 MXCZYCOXHDKPCZ-STGLLQLASA-N 458.403 2.893 30 10 JFEE O=C[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@@H](CO)OC(=O)c1ccccc1 17045721 KAXMCLJCFSUOAI-YTFSRNRJSA-N 462.454 2.854 30 10 JFEE CCOC(=O)C1=C(C)N/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)C1=O 19158950 GXCLJAPLYGHLCK-ODLFYWEKSA-N 451.479 2.502 30 10 JFEE O=C(CSc1n[nH]c(N/N=C/c2cccc(O)c2)n1)Nc1cccc(N2CCCC2=O)c1 20906684 GKEYNKKCWYSOST-WSDLNYQXSA-N 451.512 2.814 30 10 JFEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cc(OC)c1OC 20909385 HRJXNHRATCVYQX-LSFURLLWSA-N 486.510 2.736 30 10 JFEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1 102729580 QINACBHOUUTIJX-FEYWKWKCSA-N 496.560 2.856 30 10 JFEE N#Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)c1 253571383 OWSQCWGOEAEBGS-AWQFTUOYSA-N 467.427 2.670 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 521284473 ZZRDGOFVIIVTER-UHFFFAOYSA-N 461.541 2.667 30 10 JFEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCc2ccc(OC)c(OC)c2)C1=O 726402007 TWWQGLFXIQZNGD-HXUWFJFHSA-N 484.578 2.503 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730617310 AZNIXIQOWCDEQZ-IEBWSBKVSA-N 493.516 2.698 30 10 JFEE CO[C@@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@](C)(C(=O)O)C1 757472296 WIFGFAMZOVVAKW-MRDQGFSESA-N 462.502 2.619 30 10 JFEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)OC 757546942 HFRJUHLHSPXKHL-RTOPAQNCSA-N 450.491 2.521 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC(OCc3ccccc3)CC2)ccc1F 919074971 JHTXZCDIKQYCBT-UHFFFAOYSA-N 490.553 2.655 30 10 JFEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccccc3Br)n2N)c1 1084011904 MAHSSUVPQJVHMI-UHFFFAOYSA-N 476.360 2.940 30 10 JFEE COC(=O)CN1C(=O)C[C@@H](C(=O)NCCc2ccccc2)SC1=Nc1ccc(OC)cc1 1084364618 RMRKLTVEHCTQIF-IBGZPJMESA-N 455.536 2.549 30 10 JFEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C1CCOCC1 1131468718 KDTZWNDOROYRMM-LJQANCHMSA-N 458.502 2.651 30 10 JFEE C=C(Cl)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1161727502 QUKOFQCORAMQTA-RISCZKNCSA-N 456.870 2.563 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1166759420 BAIVHLOEGDTVJK-AVGNSLFASA-N 473.414 2.894 30 10 JFEE C=CCn1c(SCC(=O)NC2CCN(C(=O)OCC)CC2)nnc1-c1cccc(OC)c1 1188899513 RKIONZRFWOTYMT-UHFFFAOYSA-N 459.572 2.969 30 10 JFEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1 1258089844 SRVXZJJIRNGETP-UHFFFAOYSA-N 468.576 2.598 30 10 JFEE C#CCO[C@H](C)C(=O)Nc1cc(I)cc(I)c1 1274555650 IZVMKUSVSSEEKC-MRVPVSSYSA-N 455.033 2.873 30 10 JFEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@@H](C)COC 1278971997 MVIOVIIMRZIGCG-JKSUJKDBSA-N 459.406 2.899 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1286388259 MLJFFWNNAKUJHG-GOSISDBHSA-N 486.395 2.778 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286393104 JNIJXZYUSSSCBM-MFEFFIJZSA-N 480.581 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1286491796 BPIITPBUXMTHFR-WOJBJXKFSA-N 481.597 2.647 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286504050 ICECJYLLJNBZNX-INIZCTEOSA-N 488.614 2.818 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1286556873 RPYMAIPJEPRMMH-FFVHLPCVSA-N 457.600 2.584 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1286578748 JJBVFYCPLRBQIG-FCHUYYIVSA-N 452.603 2.637 30 10 JFEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286626592 BJHANBOODRKCDW-INIZCTEOSA-N 469.977 2.686 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286671513 YRLDQDCJLIJBJB-KRWDZBQOSA-N 463.586 2.851 30 10 JFEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1286775092 ZOYXXJCNRAIXSG-GOSISDBHSA-N 460.991 2.960 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CCOC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793233 VQFRYTWXRLEVGL-SLFFLAALSA-N 488.633 2.604 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286793454 FFKRBYAJFWULGO-QYZOEREBSA-N 474.606 2.658 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1286958752 BLEUJELCLZCYSK-NHCUHLMSSA-N 487.612 2.732 30 10 JFEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1288725044 HSCTYSCCXCPLTE-DMKCZBPRSA-N 457.600 2.627 30 10 JFEE CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1291962209 ACQJBAUASOGYKS-GGAORHGYSA-N 478.645 2.794 30 10 JFEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1295322238 CTLLNSYYRGKQRP-UHFFFAOYSA-N 496.612 2.763 30 10 JFEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C[C@@H]1C 1295982337 DQMMOOSVACWCLS-VQTJNVASSA-N 451.619 2.846 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 1300332856 PYKODFGJAMJJNB-ROUUACIJSA-N 461.570 2.938 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCNC(=O)OC(C)(C)C)c1 1300334539 PAEGCNAFCCZHBN-UHFFFAOYSA-N 489.580 2.845 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300487027 DOQUJESKBNLXOE-HXUWFJFHSA-N 473.643 2.699 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1300488881 HMSCTDOCAUGFJT-OAQYLSRUSA-N 455.628 2.694 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N1CCC(C)CC1 1300545080 IHFCWGAYTVDGPZ-SANMLTNESA-N 487.696 2.836 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1300581504 TVDZUVLXNXDDHI-RPBOFIJWSA-N 461.610 2.640 30 10 JFEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300629621 BGGIWGYDJOOUAI-UHFFFAOYSA-N 473.625 2.922 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCc2cccnc21 1300653634 NRCSWZLSSCPZLA-SQJMNOBHSA-N 453.587 2.920 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCN1S(C)(=O)=O 1300657399 YGRRGLRBNGYGTK-PKOBYXMFSA-N 491.683 2.641 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCC[C@H]1C 1300677171 ZQUTVVAHJQNSKK-YDIMBITNSA-N 461.607 2.987 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCSCC#C)CC1 1300729162 OVFDCCDBYQOEAV-UHFFFAOYSA-N 460.607 2.682 30 10 JFEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300767978 INYYTQVDCWGDNP-UHFFFAOYSA-N 472.703 2.902 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1300852547 AKOXFHJRNAMUHT-UHFFFAOYSA-N 475.420 2.913 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300876980 VLNHTONYALOJGZ-SXLOBPIMSA-N 481.663 2.581 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300877093 UJVWYMNPFDVCDA-MVWVFHAYSA-N 458.559 2.794 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCN(C)C(=O)C1 1300895773 BGHOCVSTKVVIDP-FDDCHVKYSA-N 455.559 2.515 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300904745 FUIVKPOZPRVLLU-XUTLUUPISA-N 451.487 2.782 30 10 JFEE C=C(C)COCCn1c(N2CCC[C@H](c3nc(C)no3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301001294 GWFJIKYLKIMREM-CVDCTZTESA-N 460.579 2.987 30 10 JFEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301189966 KGGVRGCNSWRBFJ-LJQANCHMSA-N 452.538 2.896 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301346954 LXFFHWHSKFDYCI-ZCVJKFOLSA-N 489.642 2.809 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCN(CC)C2)C1 1301535400 KWJPIZLAKSCALU-FPOVZHCZSA-N 473.021 2.985 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1301557681 WDYHUCPDTSECQA-PMACEKPBSA-N 480.535 2.698 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2nccs2)C1 1301586104 DKAGTJAUBUKXAY-IBGZPJMESA-N 489.623 2.513 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1301613473 YUQOFBORRLNXTH-LJQANCHMSA-N 455.694 2.656 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)n1 1310106732 XJPUIOVNBSGZRM-UHFFFAOYSA-N 459.572 2.754 30 10 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C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359151672 YLCHFLUMRZMRIK-JYJNAYRXSA-N 492.042 2.597 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359157872 WXLYCTIDYUJJMT-HFTRVMKXSA-N 469.995 2.599 30 10 JFEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359217305 VHQLJFMMAWZAEF-UHFFFAOYSA-N 460.529 2.688 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1359281000 LGSSLMJSYVWYTH-XMMPIXPASA-N 484.626 2.743 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1359282082 QNULYNQUWPKVFU-NRFANRHFSA-N 473.643 2.858 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2OC)CC1 1359330811 DLNXWVNOIPKLJF-UHFFFAOYSA-N 482.610 2.585 30 10 JFEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)c1ccccc1 1360569407 HQQJSSMBIMRLQZ-MSYCTHLASA-N 456.616 2.835 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C(=O)OCC 1462155418 MGLQRNUCDCSYMP-FIIODCPWSA-N 454.976 2.890 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2cncs2)C2CCN(C(C)=O)CC2)c1 1468370644 XFLUTGFEKKHVGI-UHFFFAOYSA-N 459.593 2.593 30 10 JFEE Cc1nnc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1492773357 DROSIGSJDZGYOC-UHFFFAOYSA-N 464.580 2.986 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1503103260 AQECWMZZWQKYRZ-QFIPXVFZSA-N 478.576 2.850 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(N(C)C)CCCC2)CC1 1507721265 MJMDHANRUTWWLX-UHFFFAOYSA-N 452.603 2.592 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)CN2CCCC2)CC1 1507733874 CPINHGJLENIRNZ-HXUWFJFHSA-N 494.640 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1507740626 OLWAWQGYVPJPIX-DHLKQENFSA-N 479.625 2.927 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)c2ccc3c(c2)OCCO3)CC1 1507740891 HBEBDYPBCCVQQY-UHFFFAOYSA-N 481.597 2.529 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1507785868 UFBMKTWHLMNHRF-WOJBJXKFSA-N 476.419 2.936 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 1507823882 JVXPGLXZUSPWFT-HXUWFJFHSA-N 472.659 2.957 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](C)C1 1508034157 UFTKUJZROWTHQI-SBHAEUEKSA-N 477.631 2.875 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 1508109871 WBRFQDBKOCEOPR-MSOLQXFVSA-N 462.595 2.599 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCOC(C)(C)[C@H]1C 1508148052 FNAFPFQBBJVGLC-MRXNPFEDSA-N 452.552 2.601 30 10 JFEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508164973 OLQICHHSVUBPRB-NRFANRHFSA-N 475.684 2.987 30 10 JFEE N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)n1 1515218476 AMARRWAQJRWLBY-UHFFFAOYSA-N 453.235 2.874 30 10 JFEE C=C(C)Cn1c(SCC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)nnc1-c1ccco1 1533396613 CCFPNNYLHJFXOX-UHFFFAOYSA-N 452.540 2.781 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCCC1(C)C 1539016426 UMLNFXGDTUIWDM-HOOSLVGPSA-N 461.607 2.986 30 10 JFEE 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30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540898344 HRRSXLFOIAGFKP-KSFYIVLOSA-N 498.552 2.532 30 10 JFEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540919372 PAJWNEGLAKLQFE-SFHVURJKSA-N 467.686 2.854 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1=O 1541558341 FJSGYFPUNBOEOE-UHFFFAOYSA-N 463.517 2.734 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1541565925 HURDIMRMHPESNX-UHFFFAOYSA-N 477.617 2.902 30 10 JFEE C=CCNc1ncc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)s1 1543567080 CNWRTKFEAXEVAA-UHFFFAOYSA-N 453.547 2.927 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1545273558 FVZVJMOHQZFPRS-JVFUWBCBSA-N 466.586 2.727 30 10 JFEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCn1cc(Br)cn1 1545827877 CZUVQRFKFVDGBO-CYBMUJFWSA-N 451.373 2.594 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1 1547704209 HASJBGDKRNHIHL-FQEVSTJZSA-N 467.618 2.632 30 10 JFEE 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453.996 2.642 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccn2)CC1 1594788784 TWVPLDAWLWUYOD-UHFFFAOYSA-N 473.379 2.745 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1595127488 QRJVZZBNDLSPTD-XXBNENTESA-N 458.607 2.998 30 10 JFEE COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1595438556 HZOOUCCIOTWXMK-XDHUDOTRSA-N 451.910 2.908 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1595602792 RGYRDGXDEXAEQL-IFMALSPDSA-N 497.600 2.734 30 10 JFEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)cc1Br 1622133660 FVQWGZAGLXOWOF-CYBMUJFWSA-N 450.293 2.688 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OC)c2ccc(OC)c(OC)c2)c1 1628882086 FHUPMBMHJCMQQE-LJQANCHMSA-N 459.520 2.535 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC2CCN(CC(F)(F)F)CC2)s1 1629451934 GHTOAJMNLOBFAH-UHFFFAOYSA-N 453.552 2.536 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1634337485 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JFEE C=C(Br)Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722488495 HIHSBGSALWHEQN-PXNSSMCTSA-N 481.395 2.539 30 10 JFEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O)C1CC1 1722649050 HMICNHDXMIQUBG-GOSISDBHSA-N 494.662 2.583 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722697830 QSQDJFSMBRAZLV-ROUUACIJSA-N 479.585 2.542 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722704923 ZVMDOGJFMDLHHL-GOSISDBHSA-N 472.018 2.703 30 10 JFEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N1CCCC1 1723109194 CXUROVPPOVVIOL-NQIIRXRSSA-N 458.632 2.806 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)c(COC)c1 1740607611 XHTXIDPFFSLHKW-UHFFFAOYSA-N 456.547 2.641 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740618061 BLIFLRYENWKUFZ-DNVCBOLYSA-N 498.472 2.948 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740620559 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2.761 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)CC(F)(F)F 1690559962 MKNFNWCXRGQHNT-SFHVURJKSA-N 461.492 2.788 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1690594880 JAIQHSYKCPGEBW-LEWJYISDSA-N 472.611 2.883 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690665868 RXLFXYGACWYGMC-LJQANCHMSA-N 472.899 2.825 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCc2cnn(C)n2)C1 1690714773 USSXFHKWHMUMSG-YZGWKJHDSA-N 486.621 2.591 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690735836 KLMSIRUUHSGFTN-AWEZNQCLSA-N 451.394 2.766 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1693157498 CDFZDMUZPNTIRO-UHFFFAOYSA-N 494.606 2.592 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1705500465 NSQHSXTVHIECCZ-KNQAVFIVSA-N 450.587 2.704 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1705514926 NMGRTISLZVGRGX-OALUTQOASA-N 464.570 2.719 30 10 JFEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705519172 BCPSHOSNSWJXBP-SFHVURJKSA-N 454.600 2.624 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)cc1OC 1705581024 VANOVJFWMKTUFX-UHFFFAOYSA-N 462.579 2.676 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(=O)(=O)CC 1705605744 CVZVFQLYDKUQKR-UHFFFAOYSA-N 472.384 2.636 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1705620083 LBHWNJFGYAABNV-WZONZLPQSA-N 488.610 2.928 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1705628106 XTAPKYNTTXWANE-DNQXCXABSA-N 467.614 2.640 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)CC1 1705639578 RNTZWYLEEPVYOX-NHCUHLMSSA-N 472.634 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705646391 DUMKVWSHVITGPH-RDPSFJRHSA-N 495.624 2.989 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccnc2)C(C)C)CC1 1705648642 VJTBPQRVTZBKGS-VXKWHMMOSA-N 450.587 2.583 30 10 JFEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705664318 MKYSVHJGNPVJIN-QHCPKHFHSA-N 474.652 2.855 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705690662 DGHHRFQGIQKTJX-JKSUJKDBSA-N 476.375 2.879 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1705731363 XEKIXOVXRHYXSU-UHFFFAOYSA-N 465.558 2.672 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705731457 YGYHSIXVYBRMLA-MOPGFXCFSA-N 485.585 2.811 30 10 JFEE C=C(C)COCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705740119 BTDNXIHZTIYACQ-HDICACEKSA-N 497.662 2.655 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705791958 JFBFOHUAVOUKGY-IBGZPJMESA-N 485.654 2.806 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1705819701 SDAVRJRROYWHMC-SFHVURJKSA-N 463.629 2.560 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1705903455 WNJOGODVYDVFLX-JOCHJYFZSA-N 452.603 2.923 30 10 JFEE C=CCSCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705949593 CPJRTWZKQONNNN-JOCHJYFZSA-N 451.637 2.685 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1Cc1cccnc1N1CCOCC1 1706078937 AJGHCAJGPKQNDR-GOSISDBHSA-N 465.533 2.872 30 10 JFEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)[C@H]1C 1708287279 FUANDJWSJFLDAE-FHWLQOOXSA-N 456.616 2.780 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)SC)CC1 1710045885 FQUCHZUXHDGJAA-UHFFFAOYSA-N 469.659 2.949 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722307543 ZLIRMKHQZOTRLS-SFHVURJKSA-N 477.573 2.558 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1722308156 GXJKAJJGGKHTIN-SFHVURJKSA-N 469.611 2.717 30 10 JFEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722312942 LWXFVUKQIVNCRB-UHFFFAOYSA-N 450.518 2.943 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722326922 LMNMXQUVEUGHOG-UHFFFAOYSA-N 455.994 2.541 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@@H]1CC 1722332159 FAILRZAVWRRBEW-ZWKOTPCHSA-N 463.629 2.600 30 10 JFEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccc(C(N)=O)nc1 1722357030 XUNVRGRYIXTJDD-UHFFFAOYSA-N 452.946 2.863 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722358334 AJKZQFFXWGDTMQ-RTBURBONSA-N 464.538 2.558 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1722360576 VGLMFYSWAALIBU-OFVILXPXSA-N 488.654 2.657 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1722371579 KNTRTJXRIWDHPV-GOTSBHOMSA-N 469.655 2.564 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1722405939 SHWJVIHIOOGNFS-SFTDATJTSA-N 452.477 2.840 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(C2CC2)C1 1722420781 LKULXCOHPDKNJA-MRXNPFEDSA-N 461.408 2.616 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(C)C 1722422475 SCLAVZMIYLPRTN-FQEVSTJZSA-N 461.607 2.689 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nnc2n1CCC2 1722423063 XUHIRSGCIFFVOH-MRXNPFEDSA-N 455.950 2.744 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(Cc3cn4ccccc4n3)n2CC(F)(F)F)n1 1722429090 GURNWDORHFGHPH-UHFFFAOYSA-N 472.475 2.562 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCOc2ccc(Cl)cn2)CC1 1722434358 PSIRBBQWKJSGOM-UHFFFAOYSA-N 452.946 2.836 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 1722447993 SVWIWJDWXSZLPY-UHFFFAOYSA-N 467.017 2.750 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1722505229 JBGIKOAQDRNHGO-UYAOXDASSA-N 495.550 2.807 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(C)OC[C@@H]1C 1722534952 UAUZCGFEBNLLHQ-KRWDZBQOSA-N 462.620 2.835 30 10 JFEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1722608024 QUTILMOAPUGEHX-UHFFFAOYSA-N 454.575 2.630 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1 1722653624 BFJMZHMNBKYJAE-JOCHJYFZSA-N 490.656 2.604 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1722684934 CVZUOQBSBVULIJ-UHFFFAOYSA-N 463.586 2.946 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCCN(C(=O)C(C)C)CC1 1722704829 XKCQXWSSSLCXSN-UHFFFAOYSA-N 486.642 2.576 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCN(CCC)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1722731443 KZGCACVXWJTHTG-UHFFFAOYSA-N 485.654 2.798 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722731973 OQMGOPDJZKMLDU-LJQANCHMSA-N 453.543 2.517 30 10 JFEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722735696 SLMDBPMWYWDQTF-UHFFFAOYSA-N 486.461 2.708 30 10 JFEE C/C(=C\c1ccccc1)CN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1722786679 XRPOURAFFLAXSI-YBYOGSKFSA-N 470.537 2.801 30 10 JFEE Cc1cnc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)s1 1724994475 GQXJPBWCSGJCDN-MRXNPFEDSA-N 479.614 2.578 30 10 JFEE CCN(CC)Cc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1728406400 CTCQCSOUWCKAQI-OAQYLSRUSA-N 474.569 2.544 30 10 JFEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCCC2)CC1 1730421546 DIHWYSBCDJGPPR-UHFFFAOYSA-N 466.586 2.897 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1730629902 GYHWKYLTRKXGJG-XMMPIXPASA-N 481.988 2.979 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCN2CC)c1 1740564838 ZHHPMBLOXJTVND-RBBKRZOGSA-N 450.587 2.713 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1740628126 NSMLLXFOGOTGEF-PTLVVNQVSA-N 490.601 2.971 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccc(C(F)F)n1 1740671744 NPSZRJYMQNJVJO-MRXNPFEDSA-N 477.516 2.822 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740681770 CWQHKFNDMGFDNQ-HSALFYBXSA-N 485.585 2.957 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNC(=O)OC(C)(C)C 1740682759 IKUCTSOBSOGJGW-UHFFFAOYSA-N 457.531 2.675 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2cccn(CC)c2=O)CC1 1740690995 RTWJKWVCKCOBNG-NRFANRHFSA-N 490.608 2.802 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2OCCC2(C)C)CC1 1740693252 VORRUFVHBIZVES-GOSISDBHSA-N 461.408 2.616 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c(C)noc2C)CC1 1740700777 HRCFYJMVJIFFTL-UHFFFAOYSA-N 489.580 2.766 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1740706785 CMWGRJWRWPWOKI-LJQANCHMSA-N 476.556 2.836 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC[C@@H](OC)C(F)(F)F)CC1 1740707587 IBZFNEDXJSEDJJ-LJQANCHMSA-N 497.493 2.929 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Br)cs1 1740709120 JWJUNGHJBTWTEG-GFCCVEGCSA-N 492.490 2.715 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1740725883 QUSBUWVEZMPFQO-FOVJLYNBSA-N 481.588 2.667 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC[C@@H]1C 1740884055 OCASVWKYMURFLL-KRWDZBQOSA-N 465.645 2.730 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740956918 VISMBURWFWUOTD-UHFFFAOYSA-N 476.581 2.982 30 10 JFEE 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452.584 2.881 30 10 JFEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2F)CC1 1722553712 FZIMVXHGLVFRSC-UHFFFAOYSA-N 461.954 2.883 30 10 JFEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1722596111 CKUPODMMRQHGJA-QFIPXVFZSA-N 462.602 2.961 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722606649 DBPMUZKANWIYBP-NRFANRHFSA-N 472.659 2.531 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1722655976 UXSMBHJAOGEGKQ-OAQYLSRUSA-N 477.594 2.828 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1722664266 VBGSCNWZBFFFTP-BSBNDGSWSA-N 454.556 2.563 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722705206 CCLIFUQQXIWHHD-UHFFFAOYSA-N 485.976 2.859 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1722707407 OLRPLDQOKCXHKC-KNQAVFIVSA-N 489.642 2.851 30 10 JFEE COc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)N2CCCC2)cc1 1730041222 CHBMJXYOHUWNJK-KNQAVFIVSA-N 465.602 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C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1623965804 LKGDYLADSHEAAM-CYBMUJFWSA-N 453.973 2.617 30 10 JFEE C[C@H](CC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)/N=C1/NS(=O)(=O)c2ccccc21 1628672232 DSGHPVBERTZUJI-BDJLRTHQSA-N 456.351 2.660 30 10 JFEE C#C[C@@H](NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Br)C1CCOCC1 1629889023 IYNMZTLNKFPLBI-MSOLQXFVSA-N 453.402 2.845 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)s1 1648458515 PIADEHYQRJSAAD-LSDHHAIUSA-N 457.618 2.659 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(C)(C)N2CCOCC2)c1 1689870763 ZJZUUXGDRYJPPQ-UHFFFAOYSA-N 473.581 2.507 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC(F)(F)CO2)c1 1689873237 BSUVBJDOKVEGEF-FQEVSTJZSA-N 483.523 2.620 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1689908079 WAKDAWKPDCEVML-FPOVZHCZSA-N 458.607 2.532 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCN(C(C)=O)CC1 1690036109 VLRSCULXVVCPJS-UHFFFAOYSA-N 479.581 2.692 30 10 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690236557 OHRNSTSFCVSZKR-URVUXULASA-N 458.651 2.952 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Cl)cc1 1690288337 SEAMNFQNDFKHJI-SFHVURJKSA-N 453.996 2.519 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690300469 CAHVYECRYYAMKF-KRWDZBQOSA-N 498.049 2.622 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690304851 PISOPOUJRBOXCF-UHFFFAOYSA-N 451.575 2.993 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1690308221 GFSPHCFKWCBUDS-UHFFFAOYSA-N 481.576 2.943 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690315541 DWAFWOHUOGMEDP-UHFFFAOYSA-N 497.550 2.560 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690660674 MLLKZMKLTGCGNQ-KOSHJBKYSA-N 489.020 2.675 30 10 JFEE Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)C2)no1 1693359577 DXIBLDBDMGHVLO-LJQANCHMSA-N 462.558 2.740 30 10 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C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705723462 VHDWJVXALPLSNZ-UHFFFAOYSA-N 456.938 2.627 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1 1705827053 RZNPDODSJTVFKS-OAHLLOKOSA-N 478.391 2.976 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705896109 BUHGRIHYECHLMU-DEOSSOPVSA-N 457.575 2.906 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705899069 HLOIXBNLYQSZGO-KDURUIRLSA-N 452.559 2.550 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccco1 1705930961 AHJAPPZEZNJULW-UHFFFAOYSA-N 468.377 2.876 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1706159036 BYUWJCCAZGIHSF-ROUUACIJSA-N 457.579 2.759 30 10 JFEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCCCC1 1706997052 DSEXKDMMXOFELP-INIZCTEOSA-N 459.620 2.838 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1710337441 BMONBCBAFNGUNL-HXUWFJFHSA-N 462.558 2.564 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2csc([C@@H](C)OC)n2)CCOC1 1710456698 DRVFCRKPXTYEGU-JSNMRZPZSA-N 450.540 2.584 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)C1 1712875246 AUKNVXUHDIIAQZ-LIRRHRJNSA-N 452.412 2.661 30 10 JFEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722320525 ARYYMKUVQCNQBN-UHFFFAOYSA-N 489.624 2.667 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCN(c2ccncc2)CC1 1722347101 ZEWVRAWLJYDITG-UHFFFAOYSA-N 475.597 2.639 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1722362752 ONLDHROBNZZHCQ-INIZCTEOSA-N 481.416 2.999 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1722381867 IDIKAAGQPHKFCE-XMMPIXPASA-N 474.634 2.998 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCn1cc(Br)cn1 1722391434 MREZEUBMMMIRMT-QFIPXVFZSA-N 489.418 2.831 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1722435021 DTZJGJFTFSWSMZ-FQEVSTJZSA-N 465.602 2.742 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2cncn2)CC1 1722454523 MJABLPFUJHULKH-UHFFFAOYSA-N 452.544 2.728 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722462652 PTRMRYVUPGONMG-FQEVSTJZSA-N 468.583 2.708 30 10 JFEE C#CCSCCn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722464073 UOIAWQFSLBFCFY-HSZRJFAPSA-N 458.632 2.803 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722538351 XABPHCFGFFQEGV-QGZVFWFLSA-N 459.513 2.660 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722654102 IWYSPEHFSJFPQB-QHCPKHFHSA-N 462.616 2.618 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CSC 1722697872 SJGGVXBYFPPXIA-KRWDZBQOSA-N 481.626 2.870 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722702781 RERAZCBBJGSDHV-NBGIEHNGSA-N 469.586 2.550 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)[C@H](C)CC)C1 1722715935 VSVIGZWMPPNKHS-QJMRKGMQSA-N 466.586 2.770 30 10 JFEE 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C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCn1cc([C@H]2CCOC2)cn1 1300604126 DOAXLYRLXABSHD-INIZCTEOSA-N 472.391 2.906 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1300664077 ODMCKQDNPJDJIK-OALUTQOASA-N 470.618 2.848 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCC[C@H]1C 1300664758 FIDWFQPOSSSFMP-RTWAWAEBSA-N 474.650 2.963 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCSC2)n1 1300680433 BJOMXFMUKITHTQ-PMACEKPBSA-N 458.632 2.798 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC=C(C)C)CC1 1300700174 MRFGXWKZHZBPAZ-FQEVSTJZSA-N 458.607 2.698 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1300701686 ZJKUCXXTAFNOKN-NHCUHLMSSA-N 468.621 2.651 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2C[C@H]2C)CC1 1300730960 IBRDDDNAZQSXIA-UYAOXDASSA-N 451.571 2.878 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1300779458 BBPZMLIMANUYSO-MZNJEOGPSA-N 487.626 2.629 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1300874407 MGFADXRQAYBCKI-XMSQKQJNSA-N 498.632 2.667 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)c(OC)c2)CC1 1301125176 MQTLCOCKIIBEAB-JOCHJYFZSA-N 489.642 2.573 30 10 JFEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CCOCC1 1301130880 GDFADOZOMIDIBQ-ZWKOTPCHSA-N 475.615 2.518 30 10 JFEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CCC(=O)N2CCOCC2)CC1 1301133906 BWOZVFKTSVJORD-UHFFFAOYSA-N 469.586 2.907 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1301197311 RORGKKCCTACCKP-KRWDZBQOSA-N 465.562 2.720 30 10 JFEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1301216229 FQXXNRXBMHDANT-IBGZPJMESA-N 452.559 2.557 30 10 JFEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1301454393 VIAOJPLVGKSZQW-MAUKXSAKSA-N 465.558 2.727 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1301478718 OXFIFKWVEFPCEY-UHFFFAOYSA-N 454.575 2.843 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([C@@H]3CCCO3)CC2)cc1 1301518991 OHQQXSXSVGDSPX-AVRDEDQJSA-N 489.642 2.897 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCN(C(C)=O)CC3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1301530424 UDEOKTZCOPYMRS-VWLOTQADSA-N 469.586 2.600 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1301553205 GXAXIQBERKHBPR-JOCHJYFZSA-N 462.554 2.637 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(O)(CC)CC)C1 1301553955 AFSAHOONKJUWJM-KRWDZBQOSA-N 452.559 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1301592894 GDSLEBWJCMMVLJ-UHFFFAOYSA-N 475.659 2.995 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1302222403 ANFYICYIBVRRHZ-RBUKOAKNSA-N 492.646 2.567 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358895197 FENIPKWYGBZBRE-PKOBYXMFSA-N 451.493 2.621 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1358912690 WNYROXBEADMMDI-LJQANCHMSA-N 457.600 2.675 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C(=O)OC(C)(C)C 1359003333 HBZHQSDCUOSTKP-UHFFFAOYSA-N 461.588 2.675 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[S@@](=O)C(C)(C)C 1359017347 AWKCYONDKDUKRQ-JGCGQSQUSA-N 459.591 2.727 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCNC(=O)C2CCC2)CC1 1359038716 HOMQZNCQSNFSFW-UHFFFAOYSA-N 471.005 2.572 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359089653 MDGFKJDRZSOJLP-XJKSGUPXSA-N 470.393 2.883 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359128463 UZDXHGGSXCPMDI-NRFANRHFSA-N 456.547 2.747 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359128842 HTUAREZIQFOTFI-RUZDIDTESA-N 493.656 2.641 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359216897 HJUCSNORRRYMPP-YESZJQIVSA-N 463.535 2.667 30 10 JFEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359219757 BPGMKXHUZQKOFU-OAQYLSRUSA-N 477.613 2.828 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1CCNS(C)(=O)=O 1359255572 CXAFYNIDPPPSFV-UHFFFAOYSA-N 471.974 2.607 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC(N)=O)CC1 1359295075 OYFLSLQQHVRQAE-UHFFFAOYSA-N 456.616 2.670 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2NC(=O)CC2(C)C)C1 1359313380 LBSXEQGKVQXFDZ-RDJZCZTQSA-N 477.407 2.742 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359330521 UZHJWPWGAQNLNN-KRWDZBQOSA-N 480.034 2.940 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1359334794 QWJDKDVZOUSIIA-SFHVURJKSA-N 467.636 2.573 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3cc(F)ccc3OC)CC2)nnc1C(C)(C)C 1359335406 KWHMUKPFNSEPJM-UHFFFAOYSA-N 479.622 2.646 30 10 JFEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1359346917 ZOCYLNXSXSFQKL-UHFFFAOYSA-N 462.645 2.960 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1ccccc1C(F)(F)F 1359466372 ADVPNXJQTNHJIW-KBPBESRZSA-N 458.510 2.746 30 10 JFEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1360206612 BUNMGDGOOVDYNZ-QHCPKHFHSA-N 465.489 2.752 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1 1465259240 QNNIFGFNEAHRED-LJQANCHMSA-N 456.568 2.663 30 10 JFEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CNC2(Cc3cccc(F)c3)CCOCC2)CC1 1473493686 BPEZDWUAMQHEEB-NRFANRHFSA-N 456.587 2.978 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)n1 1475876006 HJFOIHJCOUMVGC-UHFFFAOYSA-N 459.572 2.754 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)OCC)c2)c1 1476696265 CULZVJIQICSCER-UHFFFAOYSA-N 459.524 2.838 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1494994107 IABOPTILOQHVFN-BBTUJRGHSA-N 461.574 2.778 30 10 JFEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1503827816 HMUKZUSKEHBHHE-OYRHEFFESA-N 494.644 2.558 30 10 JFEE COc1cccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)N2CCCC2)c1 1504323160 AKKKADVQRIGSDF-DENIHFKCSA-N 465.602 2.956 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)Nc1ccc(F)cc1 1507515960 ADCJXQPTRJZACJ-HNNXBMFYSA-N 483.573 2.782 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1507536794 DZLVFPSHFDDYPE-BVSLBCMMSA-N 455.628 2.784 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507627577 DVCGWXYHGMLORK-WOJBJXKFSA-N 497.621 2.634 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1507630061 YXSCRWMYQLMQDY-QGZVFWFLSA-N 455.927 2.738 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1507636620 BMIWQICSFUZVRL-PZJWPPBQSA-N 450.612 2.732 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(COC)CCOCC2)CC1 1507721425 OPWICDVJFRNPJX-UHFFFAOYSA-N 461.969 2.936 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507756051 FLJMGWODTUBILO-SFHVURJKSA-N 458.519 2.632 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCCn1cnnn1 1507766088 YLLLCGHZRXVQAC-WZONZLPQSA-N 450.547 2.886 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507769515 AWMGCIVLVHOLJB-DENIHFKCSA-N 462.019 2.938 30 10 JFEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507775050 HENWDALSGHAOCC-UHFFFAOYSA-N 472.384 2.960 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)CC1 1507805989 FYHULQRTOZDCRJ-OKYOBFRVSA-N 473.540 2.668 30 10 JFEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507959707 HSEUFRVILDSVHB-UHFFFAOYSA-N 476.585 2.787 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2CC)cc1 1508100980 RZNKIXNODBWKDF-PZJWPPBQSA-N 475.615 2.603 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508104833 OYBHBIMVSLXHMS-TZIWHRDSSA-N 463.538 2.622 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508159476 VDWKVBNIVOSZCV-QGZVFWFLSA-N 466.629 2.895 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1-n1cccn1 1508428699 BHPZBKOPRJEHJW-QZTJIDSGSA-N 490.593 2.704 30 10 JFEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1511876287 AAMTYTDQWIZJIZ-OYRHEFFESA-N 451.619 2.670 30 10 JFEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1512536996 FZEHPSZEPNJWLJ-AEFFLSMTSA-N 486.527 2.894 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)CC1 1513195191 CZLPYNTUCPIKDH-SFHVURJKSA-N 478.626 2.553 30 10 JFEE CCCC(O)(CCC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NCC)CC1 1514348505 HHNCJCBXDTXKQR-UHFFFAOYSA-N 453.591 3.000 30 10 JFEE CCO[C@]1(c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCC(C)(C)O)CCOC1 1516203756 FIXBHGINGPYXCH-RUZDIDTESA-N 468.602 2.680 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN(CC)C(=O)OC(C)(C)C 1516589143 GMQJPRJMXYUJKS-UHFFFAOYSA-N 484.605 2.665 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCCC2(C)C)c1 1539040047 KJCJBPZWWPOFRD-VWLOTQADSA-N 461.570 2.676 30 10 JFEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539082027 KXDGQZPFYFVADL-UHFFFAOYSA-N 480.613 2.852 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1539148603 QTYMKNVEDAGUDS-APFMSCDFSA-N 454.918 2.667 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1539210334 CUNDZNJAWBDBFU-HXUWFJFHSA-N 455.584 2.649 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cscc2C(F)(F)F)CC1 1539427675 HBSPALUPBYNYDF-UHFFFAOYSA-N 475.500 2.809 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2OC(F)F)CC1 1539431071 QXLBEUVDYLPDIX-XMMPIXPASA-N 493.530 2.863 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C2CCCC2)CC1 1539490635 HHQPIMXAPMUSJR-UHFFFAOYSA-N 453.616 2.747 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1539569775 UQSOIDNJIOHCLZ-QFQXNSOFSA-N 466.630 2.884 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539615725 KWKJPXVSNMTMFE-ZVDOUQERSA-N 481.601 2.648 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1539626326 CWYLJPCQNIHVRR-JGLNRKDHSA-N 474.606 2.560 30 10 JFEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1539947052 HNIZJIWXYJQTQD-HSZRJFAPSA-N 477.613 2.795 30 10 JFEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1539947287 IJAFHMQSCSXTDP-QHCPKHFHSA-N 460.582 2.919 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H]1C 1540137961 XIFJGMJGTFGHEN-HQRMLTQVSA-N 463.579 2.599 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1540867815 JAMFSRHUKBARFS-UHFFFAOYSA-N 460.464 2.699 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)C1 1541039856 ICUMGOJOQIDNDB-NZQKXSOJSA-N 479.629 2.954 30 10 JFEE C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1541793163 HGPAGMYVTQAYJE-MRXNPFEDSA-N 460.498 2.672 30 10 JFEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1542101750 GJQWVQHKMCLVQM-UHFFFAOYSA-N 490.515 2.920 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1544008458 CRQVHYONJXZPSC-JIPXPUAJSA-N 493.656 2.747 30 10 JFEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)CC1 1544630185 CYAMZCXPNOQLTG-QGZVFWFLSA-N 455.536 2.645 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)C1 1544754804 HZKHQHYMXGGCCT-HKUYNNGSSA-N 456.616 2.971 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCC(=O)N(CC)CC 1545533266 GINJTAFBZLXLCL-SFHVURJKSA-N 469.638 2.680 30 10 JFEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1545661543 BMBXSFXCQMRVDL-IBGZPJMESA-N 486.628 2.787 30 10 JFEE CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccco1 1547435739 BGKMMHHVVSRHMJ-XZOQPEGZSA-N 491.596 2.834 30 10 JFEE CN(C)C(=O)[C@H]1CN(C(=O)Cn2cccn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376652 DORBLTZJZIHJLY-HXUWFJFHSA-N 488.514 2.607 30 10 JFEE CN(C)C(=O)[C@H]1CC2(CCN(C(=O)c3cn[nH]c3)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548381650 ASJPCYGZBKZBIN-LJQANCHMSA-N 474.487 2.890 30 10 JFEE COCCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1555410290 GGLGIKLEMNKGFV-QGZVFWFLSA-N 459.547 2.762 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCn2cc(Br)cn2)c1 1555986827 CAJZNTZIJOHPLP-UHFFFAOYSA-N 497.401 2.958 30 10 JFEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2COCO2)ccc1Cl 1556928751 PJRCVOHHUHIHJE-QGZVFWFLSA-N 454.907 2.963 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587883486 CCCKUXBZRUAXFY-URXFXBBRSA-N 464.614 2.568 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588034185 BLRJBMFQBOIAHG-PZJWPPBQSA-N 495.653 2.692 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588045012 FKTIKMZDEAAPSC-NHCUHLMSSA-N 482.610 2.643 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1588140585 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KUOQAJGOJOZEMI-LJQANCHMSA-N 472.594 2.504 30 10 JFEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCN(C)CCOC)CC1 1594229830 VNEBNKIQNFDMSG-UHFFFAOYSA-N 465.602 2.563 30 10 JFEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1594608528 NWUHQNOBJMDUOB-IBGZPJMESA-N 452.607 2.661 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1595275336 ATXUTTBCCSAFSC-GOSISDBHSA-N 498.447 2.770 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2nncn2C)C1 1595688811 OYBJQSZCEAXVOV-OAHLLOKOSA-N 474.363 2.674 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1595798240 NZFLUNBZSWNFJM-SFTDATJTSA-N 460.600 2.523 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1595804951 IXDDOMHILATAFD-OAQYLSRUSA-N 487.605 2.659 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1595830662 DZQRFEOCWCAHOD-IKGGRYGDSA-N 471.599 2.745 30 10 JFEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1610972639 HAKUTOJKLYUJIA-LJQANCHMSA-N 473.599 2.557 30 10 JFEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc2c(n1)CCCC2 1611641073 BYZVFOOIQDFVGK-SFHVURJKSA-N 494.621 2.920 30 10 JFEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1617267072 ATBMDLHGDJOFGQ-SFHVURJKSA-N 496.641 2.637 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)OC)s1 1635491211 JDMNALHFURBZOH-LJQANCHMSA-N 450.582 2.812 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CC(=O)N[C@@H](CC)CO)cc3)n[nH]2)c1C 1635946732 NDLTXCMXUATQBU-SFHVURJKSA-N 450.543 2.758 30 10 JFEE C=CCn1c(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nnc1-c1cnccn1 1656347283 JNRMXYSDMSQVPS-MRXNPFEDSA-N 451.556 2.773 30 10 JFEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCO1 1684365446 APAIYRWLULKDAQ-UTKZUKDTSA-N 457.575 2.851 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689982395 MHYOHQSKIZBKEK-VPTFNQTCSA-N 481.043 2.526 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1Cc1cccnc1N1CCOCC1 1690097502 IMKYGRLOFRJUJU-UHFFFAOYSA-N 460.582 2.873 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1690144245 REDHTVDBXVAAJK-HSZRJFAPSA-N 470.662 2.648 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690158199 ZJMDAZSQRWGUFL-HXUWFJFHSA-N 460.401 2.790 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690246430 ULORPNZCBCBUIT-RLLQIKCJSA-N 451.637 2.683 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1690251143 PPDCLPMLGBUEAQ-OXQOHEQNSA-N 465.645 2.628 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2)C1CC1 1690537423 OCKGUZQTTZMGQC-UONOGXRCSA-N 450.634 2.673 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1690556329 UHZGMPHCCNCGQW-FQEVSTJZSA-N 467.595 2.900 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1 1690567624 JSPPPMOTGGUMLB-UHFFFAOYSA-N 484.557 2.834 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1690745155 ZDCHAJUOKSMXIL-IRXDYDNUSA-N 481.619 2.681 30 10 JFEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCSC(C)C)CCOC1 1696079876 FDCTZBNJNISUFQ-HSZRJFAPSA-N 471.631 2.665 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1696927896 ANSMNCURCROCSW-JOCHJYFZSA-N 452.469 2.555 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCC(O)CC1 1705573847 OYKPQYPTXAEIQX-IBGZPJMESA-N 455.990 2.991 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)OCCc2sccc21 1705574569 HLAAQYLOCSCRCO-DNQXCXABSA-N 454.596 2.941 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(C(=O)OC)CC1 1705588637 CPXOYOBPEZPNQF-UHFFFAOYSA-N 496.999 2.803 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(OC)c(Br)c2)CC1 1705634867 KWXNEDYCXOGJDO-KRWDZBQOSA-N 492.418 2.577 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1705644310 LZOSPOKEVAOBDI-UHFFFAOYSA-N 471.915 2.821 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCN2CC)CC1 1705646998 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451.564 2.802 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCCS(C)(=O)=O 1689838052 RKLIWPPWFUQGIC-ZDUSSCGKSA-N 489.823 2.880 30 10 JFEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1689938622 QUOTWURBWKDHSY-HSZRJFAPSA-N 461.614 2.747 30 10 JFEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1689940234 RJGKYVLKNSKFFU-SFTDATJTSA-N 453.587 2.826 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689988636 SXIWTVKGQXYOFI-QZTJIDSGSA-N 490.630 2.545 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689994390 XIFFZZPALJSWST-XMSQKQJNSA-N 467.570 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1689998177 DRKNTAYNWNUIRO-UHFFFAOYSA-N 472.549 2.993 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccc(C(F)(F)F)n1 1690026500 BMVNPTHYUNKLMU-UHFFFAOYSA-N 465.439 2.853 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690031206 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DXYMZJJHTLIZDW-WWMYMODYSA-N 464.563 2.601 30 10 JFEE C=C(C)COCCn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OCC)CCOC1 1690320026 HFZKLCGOUQKQPF-RCZVLFRGSA-N 467.570 2.972 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@H]1C 1690558219 ITXFPMGYGYSONC-HXUWFJFHSA-N 486.580 2.710 30 10 JFEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690655515 YOAURSXKPGNDFX-KKSFZXQISA-N 451.593 2.551 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)C1 1690696748 ICUVOZQOHRFFFY-LJQANCHMSA-N 493.612 2.789 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C1 1690697028 NNHNGIIBEKIPTL-MNEFBYGVSA-N 460.529 2.592 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1690723789 BAWQKKMUIXAHDA-UXHICEINSA-N 462.591 2.981 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1 1690724021 GLUWJTUKYPUAPZ-IBGZPJMESA-N 497.662 2.958 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1695537173 FEJKJPBCQUHEGQ-GOSISDBHSA-N 456.597 2.952 30 10 JFEE CCN1CCN(CCCn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)CC1 1695896147 DISFARGGQZNURQ-MRXNPFEDSA-N 494.463 2.525 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(F)(F)C1(OC)CCOCC1 1705558609 CNTCRRTYSWDUHU-CALCHBBNSA-N 483.560 2.949 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705559526 BWPIDUDMVVCBNN-QZTJIDSGSA-N 481.663 2.848 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705585566 USVDTGZBJKTCAM-GOSISDBHSA-N 482.610 2.742 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCc2nccn2C1 1705622787 UWRTWHWZMYHXKU-INIZCTEOSA-N 472.391 2.591 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cccn1 1705628416 GHJIJBVQYLNAGS-UHFFFAOYSA-N 471.606 2.765 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCN2CCOCC2)CC1 1705633371 PPTAEXJREIVIQG-HSZRJFAPSA-N 466.630 2.512 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CC=CCO2)CC1 1705636588 QASJRJBTLIMZTI-NRFANRHFSA-N 451.571 2.841 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705636691 UPWYJIXTJWNLNU-NZQKXSOJSA-N 453.587 2.779 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 1705649762 GNDRFCPUEIGZLB-HSZRJFAPSA-N 464.614 2.652 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705650363 QIPWHJUNXUTWEY-BVZFJXPGSA-N 455.578 2.771 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1705651073 IJZGBKZVUOFOQC-JOCHJYFZSA-N 489.624 2.881 30 10 JFEE C#CCSCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705664786 AYVSXEJDGWYQDP-SFHVURJKSA-N 462.538 2.579 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1705873807 VWAZAFKGFSKATF-HSZRJFAPSA-N 452.584 2.721 30 10 JFEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCO1 1705881130 BVXCPYQWZCPSRJ-GOSISDBHSA-N 462.620 2.755 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1705895203 XMSSKXMVMJVFTP-IBGZPJMESA-N 450.587 2.939 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 1710265660 FOONKOBIQRQCSU-JOCHJYFZSA-N 492.672 2.537 30 10 JFEE CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1710992059 CLFKWFKIXCUSHV-HRAATJIYSA-N 454.535 2.732 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCNS(C)(=O)=O 1722283676 WAPHLHQZVIYBCN-LBPRGKRZSA-N 474.812 2.758 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1722360219 FISPZAJCJSXJHT-LJQANCHMSA-N 490.511 2.623 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(CCN(C)C)CC1 1722398111 XUMWAOGLVZPOKE-VWLOTQADSA-N 476.625 2.527 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(=O)N(C)C)c1 1722420737 KWLSOKHHDBDVAI-UHFFFAOYSA-N 485.386 2.872 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CSCCS1 1722422392 YBZKPZIBDQGEJE-OAHLLOKOSA-N 470.462 2.981 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nccnc2C)CC1 1722456178 ZYMQVGAUVAIGAU-UHFFFAOYSA-N 464.555 2.645 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1722696349 JVDGZOJWFSIMOY-SFHVURJKSA-N 464.574 2.637 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722708505 WLUMSEAUWKNWHM-RUZDIDTESA-N 463.586 2.715 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722727320 KICCXGFEHCXQDU-HDICACEKSA-N 484.626 2.758 30 10 JFEE CCc1ccc([C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1727361607 GMYSMDOQSJPNPO-YADHBBJMSA-N 467.618 2.791 30 10 JFEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1730135429 DFGKBUFPAZTURF-DEOSSOPVSA-N 452.559 2.790 30 10 JFEE COCCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1730613438 DSCGBPPODKELBP-FQEVSTJZSA-N 454.575 2.929 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1730629410 FRGXRHQQTACGMJ-DFBJGRDBSA-N 484.601 2.955 30 10 JFEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2Cc2ccc(F)cn2)c1 1731178722 GZKNVSPHNHUMCH-MRXNPFEDSA-N 473.434 2.904 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740618447 HVGMYXPTAKKTQT-QGZVFWFLSA-N 462.641 2.673 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1740621067 STJDXDFLFLWHFD-LJQANCHMSA-N 470.551 2.620 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnn(C)c1 1740647486 PGYOZHRXNYJFNU-UHFFFAOYSA-N 453.344 2.961 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@H](C(F)F)N1CCOCC1 1740671778 ODVICFAOQMGXHX-XLIONFOSSA-N 461.513 2.606 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(OC)C2CC2)CC1 1740703243 KTTMDPXLXKUAJU-AREMUKBSSA-N 481.597 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)CN2CCCC2)CC1 1740704889 VRHHQJGXDACMII-UHFFFAOYSA-N 463.630 2.736 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC)c(OC)c2)CC1 1740708557 UAGDTEVHRXOVAZ-UHFFFAOYSA-N 479.606 2.962 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H](C)CC(N)=O 1740714031 UVJYWMQZSVHJOL-CYBMUJFWSA-N 466.405 2.783 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1740770360 PIVZYZJLKQGRBV-UHFFFAOYSA-N 463.590 2.972 30 10 JFEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740807133 PJZNCDIUXHOCMV-FUHWJXTLSA-N 475.977 2.836 30 10 JFEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740869227 GESQGHILFSQZMD-UHFFFAOYSA-N 494.640 2.716 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCN(CC)CC1 1740892228 CHEVMROZVFNDMQ-QGZVFWFLSA-N 464.456 2.942 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740952375 BYKPVNYSMKWTMU-CZUORRHYSA-N 457.428 2.627 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1740967558 KKJRQVMDMHNESR-NRFANRHFSA-N 467.595 2.890 30 10 JFEE CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741523344 IEILGGNJLPKQCA-UHFFFAOYSA-N 464.599 2.909 30 10 JFEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1745744020 HUKACRRELYPKOJ-DEOSSOPVSA-N 492.672 2.682 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(C#N)CC2)CC1 1746433469 DCRNDWYLRJGHBR-LJQANCHMSA-N 467.618 2.728 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2cc(C)on2)CC1 1748979161 XDRILFJKSJINQI-IBGZPJMESA-N 450.543 2.917 30 10 JFEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1749204639 QIVZLWPNNBVWMX-UHFFFAOYSA-N 465.558 2.957 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749449658 RNWYHWSUXHCXRT-UHFFFAOYSA-N 492.983 2.905 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCCC1 1749464981 JTNIJUIJKMIZIF-UHFFFAOYSA-N 466.007 2.841 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2cccc(C(F)(F)F)c2)nnc1[C@@]1(OCC)CCOC1 1749682759 ZSALEXFWXRUZNN-OAQYLSRUSA-N 467.492 2.888 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1749736427 ISLWUGFGZUYWHA-JOCHJYFZSA-N 467.595 2.751 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNC(C)=O)CC1 1749750067 VUJGVJJCQOGSGG-UHFFFAOYSA-N 457.600 2.988 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1749828429 BKPCCYAWHJEEMB-UHFFFAOYSA-N 457.542 2.952 30 10 JFEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760151109 XXYKJVUIKLCJIT-UHFFFAOYSA-N 496.637 2.784 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760152512 OOACCZWRRBXWOB-UHFFFAOYSA-N 454.556 2.532 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1760191649 LFLPWUUVXXZCIZ-LJQANCHMSA-N 485.635 2.648 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1760257886 LLFYKLGDRWHFOU-QFIPXVFZSA-N 452.006 2.995 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCNc2ccccn2)CC1 1760268816 PXIPFKHFGPMXDJ-UHFFFAOYSA-N 458.570 2.512 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC=CCC2)CC1 1760270874 DCPBCIVRHQRAFW-SFHVURJKSA-N 466.611 2.592 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1760310478 GZVCTDPHDPKKNN-UHFFFAOYSA-N 481.439 2.784 30 10 JFEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760354486 CDUGFQCSOMWSPX-UHFFFAOYSA-N 469.634 2.683 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1760417382 BXVUNNRJUUTPCO-NNWRFLSQSA-N 450.587 2.942 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760526248 IRSNJQXXSDYPMS-RDJZCZTQSA-N 478.391 2.926 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528394 BBEAADDNWIHSEH-DVECYGJZSA-N 457.550 2.754 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1762033878 CTCCYKBCAIXBPX-BVZFJXPGSA-N 476.585 2.607 30 10 JFEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CCO1 1762489240 CXEDUKKTBSPUOS-XMMPIXPASA-N 464.526 2.757 30 10 JFEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1764995932 FKOPLHAGKGOHFL-IFMALSPDSA-N 470.643 2.952 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccoc2)c1 1766940862 FPUVBZPPSAVHMQ-UHFFFAOYSA-N 454.556 2.967 30 10 JFEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)CC(F)(F)F 1767350118 DPUOORYNEQRFLA-QZTJIDSGSA-N 461.492 2.558 30 10 JFEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1767972671 FRNOTWWMFWQMAO-MRXNPFEDSA-N 450.547 2.816 30 10 JFEE O=C(/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1860730704 XCNSEDHNUNELCG-LREOWRDNSA-N 457.489 2.894 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCc2ccc(OC)cc2)c(C(=O)OCC)c1C 1860760624 AMDBBEXQWGFPDY-UHFFFAOYSA-N 474.535 2.882 30 10 JFEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1861504480 NSUHLVLTIPPLPA-QHCPKHFHSA-N 491.544 2.507 30 10 JFEE CCOc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCO)cc(Br)c1O 1862570073 BODHPLXRVQUBET-QGZVFWFLSA-N 477.311 2.706 30 10 JFEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCCCO)cc1O 1862609909 XVSKZNGAZJDZLH-QFIPXVFZSA-N 469.490 2.913 30 10 JFEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc2c(c1)OCO2 1862626380 CGMUJMFWQWMJTN-HSZRJFAPSA-N 475.501 2.807 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@H]2c2cccc(O)c2)cc1 1862688407 XCAYEYDIWOFLTK-QFIPXVFZSA-N 450.491 2.992 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1OC 1862741935 DGHWZECOQWWXSU-HXPMCKFVSA-N 472.450 2.580 30 10 JFEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862744769 UNEPUYPJOIVKNK-QFIPXVFZSA-N 478.505 2.692 30 10 JFEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccccc3Cl)cc2C1=O 1870107054 QBUDIJPDYPYGGT-UHFFFAOYSA-N 478.896 2.736 30 10 JFEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)n2C 1873543628 WWTQQZKKGXLYSX-UHFFFAOYSA-N 474.565 2.833 30 10 JFEE CC(C)(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccc(O)cc2)CC1=O 1874274545 RYPMQPUIMSELPZ-FLKNIFQJSA-N 496.593 2.982 30 10 JFEE CC(C)COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1 1874341651 PAPLGEHMPXDVDR-OLGPUJBVSA-N 459.572 2.882 30 10 JFEE CCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1 1874433319 KEJDDHAKGCPRDG-LGJNPRDNSA-N 484.582 2.977 30 10 JFEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 1891940644 QEEIBPDUWOYOBS-JOCHJYFZSA-N 468.579 2.814 30 10 JFEE COCCOc1ncccc1CNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1892112443 QGLDAVBOEHIOPE-FGZHOGPDSA-N 468.579 2.688 30 10 JFEE CCN(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 2124538930 OXFFHMHJDOEHNB-RZFLPCETSA-N 450.385 2.809 30 10 JFEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2200963487 SVZFIOZNQYTBRR-IEBWSBKVSA-N 474.558 2.799 30 10 JFEE CC1(C)OB(c2cscc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255530445 SLAJUONKMOBGQN-UXHICEINSA-N 486.399 2.861 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255636312 SAWJMRSNUSTXBS-CQSZACIVSA-N 451.398 2.962 30 10 JFEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)OC1(C)C 2255796663 UWMFQGMDRGQYDM-UHFFFAOYSA-N 462.446 2.944 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2255833242 ZSWDJWUBLOWVKM-KGLIPLIRSA-N 451.398 2.878 30 10 JFEE C=C(CS(=O)(=O)N1C[C@H](C)[C@@](C)(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255954323 WXYYSZGAODXXLN-BTYIYWSLSA-N 458.430 2.987 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C(F)(F)C1 2267288527 CXSBMVVWTDNURK-OAHLLOKOSA-N 455.311 2.688 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267371827 GEWQAGODSUDKGI-CRAIPNDOSA-N 466.409 2.567 30 10 JFEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267484424 ARRXMWVNTKDDPJ-IBGZPJMESA-N 455.433 2.593 30 10 JFEE Cc1nc(C(=O)N=[S@@](C)(=O)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267489496 WNXUZAIUMZYGRD-YTTGMZPUSA-N 485.437 2.608 30 10 JFEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267525637 HQGIVCNDTOLQBJ-MRXNPFEDSA-N 466.409 2.803 30 10 JFEE Cc1sc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267535953 DYHNZNGLJVCNHZ-OAHLLOKOSA-N 468.425 2.656 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267587265 VKWSMNDPAYCIGV-OAHLLOKOSA-N 466.409 2.803 30 10 JFEE CC1(C)OB(c2ccsc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267591321 ABRALKFNZDKLBL-YUTCNCBUSA-N 458.311 2.719 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267709458 CCBKHXDVTHLWDY-OAHLLOKOSA-N 486.827 2.927 30 10 JFEE CCC[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2267719449 BWWCVTCDMKFOEE-KRWDZBQOSA-N 468.425 2.958 30 10 JFEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268646249 XYALFXJIZFNSJZ-AWEZNQCLSA-N 469.775 2.903 30 10 JFEE COc1cc(CNC(=O)CCN(O)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273765366 HNZCWDBPPUZYLV-UHFFFAOYSA-N 450.341 2.627 30 10 JFEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2281785802 BIOJEMVEXNQDDT-UHFFFAOYSA-N 461.303 2.520 30 10 JFEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2281956077 SYVRGAZQWSRSTE-NNPSNHGLSA-N 468.400 2.624 30 10 JFEE CC1(C)OB(c2ccc(C(=O)NC[C@@]34CN(Cc5ccccc5)C[C@@H]3CCO4)o2)OC1(C)C 2282200909 PDIKPPOCOIADCL-UQBPGWFLSA-N 452.360 2.600 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 2282310027 OFMUPDARSYTCSJ-SFHVURJKSA-N 480.436 2.924 30 10 JFEE C=CC1(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282414520 UDVKXRLAMZVIFZ-UHFFFAOYSA-N 482.383 2.579 30 10 JFEE CCn1cc(C(=O)N2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541282 VTCAKBKZGNHRHN-HZPDHXFCSA-N 462.400 2.578 30 10 JFEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282613220 KHMNDLPNKFHKEJ-WBVHZDCISA-N 462.400 2.627 30 10 JFEE CC1(C)C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2282620491 GASLJIASRJVWRF-HXUWFJFHSA-N 450.392 2.949 30 10 JFEE Cn1nc(C(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282625402 VBXKGYXOQXASBP-UHFFFAOYSA-N 456.352 2.996 30 10 JFEE CC1(C)OB(c2ccc(C(=O)N3CC[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)o2)OC1(C)C 2282637337 XIDJTPMFUBRYSI-WOJBJXKFSA-N 452.360 2.694 30 10 JFEE Cc1ccc(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282644739 NGGQGQJOIXCRNF-SFHVURJKSA-N 460.380 2.660 30 10 JFEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282707542 ABEAXKJALNPYOX-WBVHZDCISA-N 460.384 2.684 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)c(F)c2)OC1(C)C 2282833846 LJBZQPGPMDKLBC-OALUTQOASA-N 472.391 2.534 30 10 JFEE Cc1sc(C)c(S(=O)(=O)N(C)C[C@@H](O)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282839319 BYTFXLCERCFIQU-LJQANCHMSA-N 495.472 2.862 30 10 JFEE CC(C)(C)OC(=O)NCCn1cc(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)cn1 2282854562 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CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C[C@@H](N)C#Cc2ccc(Br)cc2)C1 2296295516 DUULITOQSIWHMM-IRXDYDNUSA-N 457.390 2.552 30 10 JFEE CCN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2315683304 FXOBVKOQMCLRCS-CQSZACIVSA-N 451.398 2.914 30 10 JFEE COc1nc(N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317504129 VQYNOXUHXSDWQH-WJOKGBTCSA-N 455.386 2.643 30 10 JFEE COc1ccc(CCc2nnc(SCCCO)n2N=Cc2ccc(O)c(O)c2)cc1OC 2326216937 HFNIVEILZACQCF-UHFFFAOYSA-N 458.540 2.848 30 10 JFEE COC(=O)CSc1nnc(COc2ccccc2OC)n1N=Cc1ccc2c(c1)OCCO2 2328288598 SPBHRTJIBFJVHE-UHFFFAOYSA-N 470.507 2.784 30 10 JFEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)cc(Cl)c1O 2330718676 JENYDIQLXQJQQW-UHFFFAOYSA-N 488.957 2.895 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@]2(C)COC)C1 2338828656 IOBSQUVJKGLUEH-BBDSCREZSA-N 465.591 2.824 30 10 JFEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2342044133 NFQJXZMBZNYGSU-OAQYLSRUSA-N 476.639 2.999 30 10 JFEE 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C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1286349210 GBUMOHIVPNCZLL-VAMGGRTRSA-N 491.658 2.723 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286387787 ICGQXPHNRJZKBP-FPOVZHCZSA-N 480.638 2.850 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1286390094 WVDDKHJAOKMSGR-CYBMUJFWSA-N 455.403 2.655 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N(C)C)CCC1 1286414591 ZSAIONJDVPZYGD-HXUWFJFHSA-N 454.619 2.950 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1cccnc1 1286432713 VCGLCJUIIRQFLH-UHFFFAOYSA-N 467.621 2.743 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2cc(F)ccc2F)n1 1286470897 FAZQIHAASZETSP-GOSISDBHSA-N 470.524 2.981 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)COC)CC1 1286487164 DICNXIBXVUAAEC-SFHVURJKSA-N 461.570 2.584 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1286499152 FDDJUMHMLPWESW-NRFANRHFSA-N 450.511 2.909 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286534760 WMSRADUCMGZWIY-HNNXBMFYSA-N 499.207 2.876 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C 1286563807 RCMOXAFYSNGMAL-LADGPHEKSA-N 480.657 2.995 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1286638010 RVOOXOFLMUJPPE-HNNXBMFYSA-N 487.552 2.961 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286654366 HNSKQBZGOKKJFQ-FQEVSTJZSA-N 481.416 2.660 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1286699968 IWTOPWCNNMHZPE-HSALFYBXSA-N 481.663 2.751 30 10 JFEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286714988 ZDDOWWRPZWOZPD-UHFFFAOYSA-N 464.570 2.723 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C)C1 1286817877 YYKPRMLXQTVDIM-AWEZNQCLSA-N 455.378 2.534 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1288513482 FJKJSILNVOHJNS-KSSFIOAISA-N 466.464 2.675 30 10 JFEE C[C@H]1CCC[C@@](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)(N(C)C)C1 1291067909 HBZFKOCAHIAKII-UQBPGWFLSA-N 465.602 2.518 30 10 JFEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1294228104 AOVVQCUBRNHOBG-NBGIEHNGSA-N 468.602 2.845 30 10 JFEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCN1CCCO[C@H](C)C1 1297327689 CLUMBAJYLSPGGM-NFBKMPQASA-N 468.602 2.765 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@@H](C)C2)c1 1300331984 VQFREOCQLSUDIV-UTAZYMRLSA-N 481.597 2.802 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1300380460 CADTXQFJCACLNK-KRWDZBQOSA-N 453.547 2.784 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1300381994 YHOSXFMHFMZJCR-DLBZAZTESA-N 453.547 2.688 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300481659 BLGWQTOOTBGFCW-QGZVFWFLSA-N 480.537 2.634 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1300490120 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460.600 2.643 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961176 SOXQHKZYFVERPV-ISKFKSNPSA-N 492.649 2.832 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1358967879 UYEGLGQWIFEWEU-YPAWHYETSA-N 485.654 2.770 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(c2ccncc2)CC1 1358970784 XPXZDMMMUCDCFI-SANMLTNESA-N 462.598 2.703 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)cc1 1358984277 OOPNDTWYCOTUDE-UHFFFAOYSA-N 462.598 2.544 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1CCO[C@@H](C)C1 1359024024 CSJWFLVVCDHMPT-SFTDATJTSA-N 467.618 2.743 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)C1CCCCC1 1359024044 DJCIRNZYBMEGLZ-SANMLTNESA-N 481.645 2.869 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cccnc2OC)CC1 1359031287 WPAVPVMLGFGHDB-UHFFFAOYSA-N 467.371 2.915 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNC(=O)c2occc2C)CC1 1359039048 VJXCVEAYWTYLSU-UHFFFAOYSA-N 490.608 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465.595 2.794 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1508072093 GKPVWEQTVSYHTN-HOCLYGCPSA-N 465.396 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2cncn2)CC1 1508138104 WKAZEXPMALQTKM-UHFFFAOYSA-N 476.006 2.707 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1508145102 WXSUZGMWQARFTJ-QFIPXVFZSA-N 483.642 2.828 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(=C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508149198 QDBSEHFFDJKDNM-HDICACEKSA-N 465.620 2.806 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2ccnn2)cc1 1508472227 GFOSUXDXIFYQRN-FQEVSTJZSA-N 450.547 2.565 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@H]1CCCCO1 1509668921 CXHUOOWBJDVVKV-HSZRJFAPSA-N 479.629 2.959 30 10 JFEE COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(OC)c1OC 1527994436 BTJNNOXQGRTHRA-INIZCTEOSA-N 457.914 2.949 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539204614 ARJCMQHRVFAMAU-WIYYLYMNSA-N 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464.563 2.836 30 10 JFEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1741001897 DNRWCKWSGSVKGV-CRAIPNDOSA-N 452.602 2.579 30 10 JFEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 1741065879 DUVBUKUGGRXLMJ-FQEVSTJZSA-N 479.629 2.765 30 10 JFEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 1746089199 HMXMIOBOBQHPMI-GOSISDBHSA-N 458.570 2.773 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCNC(C)=O)c1 1748691892 NVLDKAQZXPXGLI-UHFFFAOYSA-N 465.945 2.576 30 10 JFEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1748747315 GFPAAMWNGAQAAN-QZTJIDSGSA-N 458.360 2.983 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748802115 LIRARMAJSBIQRP-OALUTQOASA-N 474.627 2.926 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1748824673 HCGWAGBDOAFNQZ-HSZRJFAPSA-N 483.576 2.844 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748824811 TUHRKVHJJWTQRX-LJQANCHMSA-N 493.029 2.832 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1748843082 ZXTQNBDOZIGTAH-OAQYLSRUSA-N 485.592 2.567 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748867281 DULOGOXTKBJVAH-UNMCSNQZSA-N 453.612 2.564 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1748950171 LAVRCUZFJIQZFW-OPVJXMOQSA-N 488.658 2.836 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN2CCOCC2(C)C)CC1 1748979716 JRBXXFTUANSHDD-UHFFFAOYSA-N 493.475 2.635 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)N2CCOCC2)CC1 1749006069 HMAUTUWJCMQOMC-UHFFFAOYSA-N 485.032 2.675 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(COC)CCC2)CC1 1749011120 VLSJDIZNVAQKMP-UHFFFAOYSA-N 460.582 2.989 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@](C)(O)[C@H](C)CC)CC1 1749016975 RLUCVMJJJSEMSI-FQRUVTKNSA-N 451.615 2.940 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(=O)N1CCOCC1 1749023990 BMMSJPTZZKXVDX-QGZVFWFLSA-N 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461.538 2.922 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286546271 HYAKNWUIQKXZTB-SFTDATJTSA-N 455.607 2.819 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1286581949 PHDYPFAZPMLTMP-NRFANRHFSA-N 477.631 2.573 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286589868 JFQIOJZBRNFFKC-GOSISDBHSA-N 461.010 2.838 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1286753030 RGLNLIVUKQKSBA-OAHLLOKOSA-N 469.409 2.638 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)c1cccs1 1286782234 OVMOAODBNFNBBO-INIZCTEOSA-N 488.639 2.757 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC[C@@H](C(=O)OC)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1286796403 KDUSLFGIUHLPCX-NTKDMRAZSA-N 456.543 2.543 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCCCC2)C1 1286817761 YNYGRTCLWOFHHA-LJQANCHMSA-N 489.642 2.628 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286820034 CFBMTQAFWRXZEM-NJYVYQBISA-N 455.584 2.516 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1286821244 FHRROGBUXRDLSS-UHFFFAOYSA-N 470.643 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3c(F)ccc(F)c3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286824372 BWDGRJQNSQBMNS-HSZRJFAPSA-N 496.580 2.760 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1292759707 DXCNPPMFGUJUAU-KRWDZBQOSA-N 465.558 2.598 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1300302775 DRVCBQOREBPVHK-KNTRGWTASA-N 454.600 2.680 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300487751 MHDMLEOGHBKKFK-CEYNDMKZSA-N 483.638 2.861 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300504655 PPMRFJMQGNQGNW-UAFMIMERSA-N 478.659 2.639 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccn(C)n1 1300642087 HHWVBGACBQQQBX-XMMPIXPASA-N 452.534 2.685 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(CC)C2CC2)CC1 1300685052 FIGWCZOHYDCAFH-UHFFFAOYSA-N 457.420 2.947 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300762419 PBKCUMNEOMGOHZ-VSKRKVRLSA-N 488.702 2.513 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)NC)CC1 1300872726 CTIQKPFKTBJULL-AVRDEDQJSA-N 469.586 2.906 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300889877 RWKIMXZCWGBEJY-BVAGGSTKSA-N 480.657 2.896 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1300916213 UULMQHRLQWSKKW-QFIPXVFZSA-N 487.670 2.588 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)Cc1cnn(C)c1 1301492308 DJPLHPSXUPSKBQ-UHFFFAOYSA-N 476.354 2.909 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(Cl)s3)C2)nnc1[C@@]1(OCC)CCOC1 1301520871 RNFWFIBUAJBFFV-QVKFZJNVSA-N 482.006 2.525 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1301530906 AENUXRAXPZJEQF-GOSISDBHSA-N 452.584 2.949 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 1301536373 VNIOTVAXJPYAGM-AVRDEDQJSA-N 479.503 2.746 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1301555027 RGBRFITWUOLZKD-KZNAEPCWSA-N 459.513 2.564 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1301577484 OUAXUYIWKIMTEG-UHFFFAOYSA-N 492.989 2.939 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC(F)F 1301952171 HUZOKXPHULZLFG-AWEZNQCLSA-N 456.457 2.608 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)s1 1301978044 PSHXKJBNBTUTBW-UHFFFAOYSA-N 458.609 2.581 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC[C@H](F)C1 1303407194 BILMTLJKDJYHHK-SFTDATJTSA-N 453.566 2.748 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CCO1 1303538101 CEEWKXZLDSZOTL-QFIPXVFZSA-N 468.602 2.843 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1303641817 DVJCTRYSPXUODI-DVECYGJZSA-N 481.626 2.675 30 10 JFEE Cc1cc(C)cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c1 1304162849 AFZJJVVZHNHXDG-XUZZJYLKSA-N 486.642 2.601 30 10 JFEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1313517865 IDKQDYJRIMYWIM-UHFFFAOYSA-N 495.609 2.521 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)NC(C)(C)C)c2ccccc2c1=O 1313958407 BSVRDRCQWPDNGP-INIZCTEOSA-N 464.574 2.718 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1314740773 APEOZJCPWLEQOG-HNNXBMFYSA-N 459.519 2.941 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)CC1=O 1316127901 CUKQVRHWIHJHSK-IBGZPJMESA-N 458.513 2.937 30 10 JFEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)c1 1354863167 XMJPFINRIGSAPC-OAQYLSRUSA-N 451.523 2.867 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1358870805 UOXLSSLGBVFENC-UNMCSNQZSA-N 473.581 2.674 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1358874455 XMRDWGLLMVTVCG-QHWMMSMNSA-N 480.657 2.987 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358958431 NSDKCOHKCFICHG-PRCFCKQXSA-N 494.564 2.724 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961186 STUUNAXMLSGMNM-GMAHTHKFSA-N 494.665 2.821 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358967037 CADXILLAOXDFDD-IBGZPJMESA-N 499.568 2.816 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)C(C)(C)C 1358997815 GBKDBYDXVCBKNB-UHFFFAOYSA-N 458.584 2.542 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCn2ccnc2C1 1358998843 VSTAUAUPQHHJCO-NJYVYQBISA-N 477.613 2.971 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1359026478 ZERNURKSNQWEOZ-QFIPXVFZSA-N 459.472 2.800 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCO[C@@H]2CCOC2)CC1 1359030694 CBZFTLLYTJXBOR-HXUWFJFHSA-N 474.403 2.658 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1359089823 POMPEFRBKKMIHB-DENIHFKCSA-N 468.602 2.733 30 10 JFEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(C)S(=O)(=O)CC)CC1 1359162929 KUJYYIWDARRTCW-UHFFFAOYSA-N 461.588 2.544 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1359164866 BTKIJDIPYQVBOZ-UFYCRDLUSA-N 481.663 2.609 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)N2CCSCC2)CC1 1359179652 ACZXESIPBYZLAY-UHFFFAOYSA-N 491.683 2.659 30 10 JFEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnc2n1CCC2 1359281641 GKLLLPZVVQQGMH-UHFFFAOYSA-N 486.621 2.617 30 10 JFEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1359299557 HYTFUYJLMAPFMB-UHFFFAOYSA-N 456.978 2.854 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)C2CC2)C1 1359321411 FYECOPJJWCUFCO-YDIMBITNSA-N 477.606 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359329993 BQHKUATYRSISNQ-HXUWFJFHSA-N 471.627 2.597 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1359332207 RMNOCCSCJQOMRU-FQEVSTJZSA-N 462.620 2.721 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NCC)CC1 1359338380 UHRDTALIOAQDBB-UHFFFAOYSA-N 482.452 2.817 30 10 JFEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359573623 ATIGLSLCFKFKCE-NRFANRHFSA-N 481.601 2.501 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1360192597 COUDNMXDAPCGQO-GOSISDBHSA-N 459.595 2.803 30 10 JFEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(c2ccccn2)CCC1 1360494326 BGYKWSGGFSDWGN-GOSISDBHSA-N 459.554 2.946 30 10 JFEE C#CCNC(=O)CN1CCN(C(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)CC1 1449059309 IXXDMGDUMSJFAE-UHFFFAOYSA-N 450.486 2.645 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C[C@H](C(F)(F)F)O1 1494235365 GCRAMPZIPAMCOS-OXQOHEQNSA-N 478.519 2.820 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1496284405 FUYMCGURIXDPDW-SESVDKBCSA-N 466.586 2.896 30 10 JFEE CCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1499969330 FTKFKUXVDLCTQG-RUZDIDTESA-N 465.602 2.540 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccccc1OCCOC 1507531477 FQFZLWUKMJHUPP-FQEVSTJZSA-N 475.597 2.984 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCCN2CC)c1 1507550420 KQUVIVJJSFLDRC-HSZRJFAPSA-N 457.582 2.804 30 10 JFEE C#CCCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507599815 ULQPHECHSLTIFJ-XMMPIXPASA-N 455.534 2.724 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507633323 CSZVNFXIHHCIPP-FQEVSTJZSA-N 460.575 2.856 30 10 JFEE C#CCN(c1nnc(COCC)n1CCc1coc(-c2ccc(C)cc2)n1)[C@H]1CCS(=O)(=O)C1 1507636988 FWKLLBJBMUPHLX-NRFANRHFSA-N 483.594 2.647 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(=O)NCC)cc1 1507672117 WKBUVQNYNLUYMR-UHFFFAOYSA-N 465.561 2.778 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC[C@@H]1C 1507703502 WKAXUDJZOHJZBG-RRPUWOKSSA-N 471.577 2.502 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCOCC2)nc1 1507708940 OSDUNFRNVBXRFI-UHFFFAOYSA-N 466.973 2.964 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCOc3ccccc32)CC1 1507716434 RFVNUWZCIOPKFC-LJQANCHMSA-N 450.587 2.518 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1507734948 DZEPDBXBDVKXIZ-MHZLTWQESA-N 495.624 2.868 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1507748904 VLLHSMRHAZCVDE-HXOBKFHXSA-N 458.584 2.713 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1507809282 JCBUGERPGHVGQV-STWLZBDKSA-N 475.634 2.606 30 10 JFEE C=C(Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507850793 UAOHYRAUQZHJRR-VWLOTQADSA-N 469.586 2.503 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1508032352 DXBPXRFLVBHGHR-SJLPKXTDSA-N 466.508 2.942 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1508039577 ZJMRGMPFCYORPT-NRFANRHFSA-N 465.606 2.680 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508141923 QHRBLVIIRMBQAF-MOPGFXCFSA-N 497.662 2.956 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1508163665 WMHVOQQVQJXOQA-SJORKVTESA-N 480.660 2.990 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC2(C)C)CC1 1513201240 GPHDWQOCBSBIPD-PZJWPPBQSA-N 479.629 2.812 30 10 JFEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1513971173 HTHWBFDBGHKDLX-PMACEKPBSA-N 479.585 2.931 30 10 JFEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC(OC)CC2)C[C@H](C)O1 1518914078 GKAYSHUAGFTFGP-WMZHIEFXSA-N 482.629 2.946 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CS(=O)(=O)N[C@@H](C)CC)c3)cc2C1=O 1520799826 ODKBSQAAFLRLBA-HNNXBMFYSA-N 455.536 2.939 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCc2ccccn2)cc1 1521101631 FWHKZOCWYYUKES-SFHVURJKSA-N 499.497 2.871 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2([S@](C)=O)CCC2)c1 1539046640 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C=CCOc1ccccc1Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690684179 AGKFZWQCYIGLMK-XMMPIXPASA-N 490.626 2.557 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1690740336 QVTQHZSQFSAVLC-UHFFFAOYSA-N 452.544 2.889 30 10 JFEE CC(C)CCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1692378985 CEKCWPYJVKTSFW-UHFFFAOYSA-N 486.642 2.884 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1 1695479878 AIGHOWMCQOQGQQ-UHFFFAOYSA-N 460.604 2.540 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1696958641 GRUMJFWHSQLJIX-FQEVSTJZSA-N 479.629 2.956 30 10 JFEE CSc1cc(Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)ccn1 1698374444 HURUGLTUGFLGQQ-UHFFFAOYSA-N 465.631 2.981 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1705559956 CFGUTGFONLXVEQ-SZVBFZGTSA-N 461.519 2.618 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705561933 WZMHZWOJVPOVTO-GOTSBHOMSA-N 497.665 2.896 30 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2.621 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1729623569 GZZNCXAKQQFVDK-IAGOWNOFSA-N 469.590 2.890 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NC(C)C)c1 1740562338 MTFCXESVPUUXJC-UHFFFAOYSA-N 479.972 2.964 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740581613 CCKAFXNXSYYLMO-KRWDZBQOSA-N 498.575 2.682 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740617981 ZRTGKAQXOKHCCS-TZIWHRDSSA-N 489.617 2.670 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC[C@@H]1OC 1740678426 BLQKSGBVBRUSNS-GGAORHGYSA-N 466.561 2.970 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N2CCOCC2)CC1 1740691055 TUQRIFVCTJTKCZ-VQTJNVASSA-N 473.021 2.547 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740713598 NMDCMUDBXDTPQV-LJQANCHMSA-N 484.626 2.665 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](n2cncn2)C1 1740722093 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C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cnn(CC)c2)CC1 1749010053 HAFAUCSULXNJQC-UHFFFAOYSA-N 451.962 2.829 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1749020162 NBHFTRDXKBHQDL-UHFFFAOYSA-N 451.512 2.836 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749026013 AFLOEKHVSYNNHU-UHFFFAOYSA-N 486.642 2.959 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749045096 ZYCLXMDDEANDPK-JOCHJYFZSA-N 466.611 2.942 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1749136348 MDTQZALGYMJYPT-ATIYNZHBSA-N 496.656 2.713 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749366795 MEUTUQUZESWOPW-HTAPYJJXSA-N 452.621 2.557 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(F)cc1 1749426395 AUSHIABSRZPHLO-LJQANCHMSA-N 451.568 2.743 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1749428065 YGWIYPMVRGWFPA-CTNGQTDRSA-N 477.606 2.785 30 10 JFEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749460766 HBAQYSHMMBTSAS-QHCPKHFHSA-N 460.600 2.773 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCOCC1 1749541267 KWTSUBSULCLHPY-INIZCTEOSA-N 451.568 2.647 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1749591633 XJBGIIKGOGUFMU-LJQANCHMSA-N 454.575 2.706 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749659481 FBYXVWQWUPXIHC-SFHVURJKSA-N 454.575 2.941 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1749687669 XGNZQLIXKYFSPF-SFHVURJKSA-N 475.615 2.508 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC[S@](=O)CC)C1 1749704775 BMFMQQQFLHYXKQ-STQSFFJQSA-N 484.626 2.786 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](COC)OC)C1 1749718985 LDVZMRWYTHRXFV-FHWLQOOXSA-N 465.595 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@H](C)C1 1749730797 QXRYJIDOKPRVFD-CALCHBBNSA-N 457.556 2.815 30 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486.667 2.577 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 1760322468 SZYOFJDMVYELLR-TZIWHRDSSA-N 488.633 2.700 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760354216 SATGQJBACCOPOJ-HSZRJFAPSA-N 476.599 2.570 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1760462923 NCGZWEHOWLUGCI-PMACEKPBSA-N 462.639 2.862 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCOC1 1760479817 BKLBSHOQLDOMJA-SFTDATJTSA-N 455.584 2.671 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760512780 JVMDTWJOHBNWKW-FQEVSTJZSA-N 468.602 2.575 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1760519754 OBEYOXYDPGAMQV-FPOVZHCZSA-N 491.596 2.955 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CSc3ccccc32)C1 1760535201 MWNBKQXSTPAYIX-IXDOHACOSA-N 463.629 2.559 30 10 JFEE 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2.699 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286386794 HPZLMLDSBBVNDF-KRWDZBQOSA-N 473.986 2.621 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286390426 AQZBKPZWBWPYQZ-JOCHJYFZSA-N 479.606 2.532 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C(F)(F)C12CCC2 1286400545 BQYWSBOGUPWPQL-IBGZPJMESA-N 473.549 2.704 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC[C@](C)(CC)O1 1286462077 CTRZJJZORNDHPX-JPYJTQIMSA-N 474.631 2.672 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286471753 OAXVUNGRIPFGEG-PZJWPPBQSA-N 468.577 2.571 30 10 JFEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(OC)CC1 1286501171 OMYWLYQAMVPODN-QFIPXVFZSA-N 452.588 2.683 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCOC 1286522012 HIEXRKJEDHVCMW-RUZDIDTESA-N 464.570 2.891 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286541954 GNMPCLZEBPXMCO-SFHVURJKSA-N 466.428 2.595 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 1286637225 YOYVXTHZKJAPOG-UHFFFAOYSA-N 459.978 2.950 30 10 JFEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286696780 QOMRMLVCZQDCJR-UHFFFAOYSA-N 487.402 2.601 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1286794818 AEIQGEWGYBXHKP-UHFFFAOYSA-N 462.554 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@H](CC)C1 1286817262 SARYRXFEYBAVLP-QGZVFWFLSA-N 466.629 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286824723 HEFOMSIYWJAPDX-IUVQAAGXSA-N 493.457 2.623 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1286831861 FMSYYEDZOJJIST-GOSISDBHSA-N 462.641 2.587 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1300268509 RIJZXUDFQPBHEV-NQIIRXRSSA-N 473.021 2.676 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)CC1 1300345395 VPPJCVCBHDDNGD-UHFFFAOYSA-N 472.659 2.777 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1300365449 XFAREJLYLDOUQT-NRFANRHFSA-N 483.638 2.725 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1300490095 ZIKDTHFYXBGMSX-MRXNPFEDSA-N 499.406 2.636 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300496334 PSPQQMLMKJHLCV-NQIIRXRSSA-N 474.602 2.916 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CCCS2)CC1 1300716289 KJDWLPCFQSCPPB-RPWUZVMVSA-N 475.659 2.570 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCn2cc(Cl)cn2)CC1 1300718995 KPCGWKROBCYKTK-UHFFFAOYSA-N 451.962 2.769 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CC=CCO2)CC1 1300730976 JABMUXZONZYJOB-JOCHJYFZSA-N 463.582 2.730 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1300779566 CAKQVYMLXCSCSB-JLTOFOAXSA-N 451.980 2.591 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1 1300843526 GESYEFJCHNOSRU-HNNXBMFYSA-N 451.394 2.522 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2[nH]c3ccccc3c2CC1 1300973499 YJKQUKHUZOJFFC-KRWDZBQOSA-N 472.615 2.568 30 10 JFEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1301097127 PIWUPNDOMXXSPB-REWPJTCUSA-N 469.586 2.674 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CCCC)CC1 1301126635 XFFIPAAUHRNXFG-FGZHOGPDSA-N 494.706 2.668 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301217873 GYJTXVUZUPACNV-UHFFFAOYSA-N 478.601 2.742 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C1 1301535913 PSLGINWHCFKNNJ-LJQANCHMSA-N 461.526 2.736 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1301556241 HALVDJRFUDGAFM-NRFANRHFSA-N 467.595 2.691 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1301594786 JNUZLSUTMPZUIM-UHFFFAOYSA-N 492.049 2.632 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCSC1 1316089370 FYBWVSRDXWGSIT-DEOSSOPVSA-N 464.595 2.657 30 10 JFEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cnc(Br)c(Br)c2)c1 1357400156 VRPPBCSUIZZENI-UHFFFAOYSA-N 451.118 2.981 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358958317 LIZRXIAIYBFAGN-WOJBJXKFSA-N 462.019 2.565 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358970874 ZMTILSDWTMNFSX-NBGIEHNGSA-N 473.618 2.895 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358971540 ZDZGKLKGJJIULV-QGZVFWFLSA-N 494.401 2.609 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)CC1CC1 1358972604 LEJVDQRMZCFFAB-UHFFFAOYSA-N 467.414 2.667 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NCC 1358977442 MRKZICFKRMWRQW-IBGZPJMESA-N 470.618 2.628 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccn(C)n2)CC1 1359047432 GUHISRSDXCVRLT-UHFFFAOYSA-N 484.029 2.971 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)N(C)C 1359067177 DCJKHVQOVAXGPD-HSZRJFAPSA-N 475.615 2.624 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359085846 AYRGXOAPSMCCBV-RYUDHWBXSA-N 462.439 2.800 30 10 JFEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359086906 MMMOPZNKYFBGGK-FUHWJXTLSA-N 460.376 2.865 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359089882 QRNOTQCFBSUVLH-ILXRZTDVSA-N 482.345 2.984 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1359174279 ZNKFMUVDYSGGNA-MOPGFXCFSA-N 460.648 2.811 30 10 JFEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(S(C)(=O)=O)CC1 1359223862 YELGNOBXYTYUFZ-QGZVFWFLSA-N 479.672 2.806 30 10 JFEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359226631 IZRMNODQXYHOAS-RTBURBONSA-N 465.595 2.842 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1359326775 JJAPJJXDRMEQMZ-NNWRFLSQSA-N 484.601 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359327458 BSNBFBCBDMBJBK-DLBZAZTESA-N 480.562 2.547 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCOC(C)(C)C1 1359327695 IGAGMTWWDPQMQS-UHFFFAOYSA-N 456.572 2.551 30 10 JFEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359341776 HIFXYLFLEKVKKR-PKOBYXMFSA-N 459.620 2.837 30 10 JFEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(C)C)CC2)CCO1 1359452133 GWYXALIRLYSBMS-NRFANRHFSA-N 452.559 2.506 30 10 JFEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1360088943 DIEVRLWWVFZOFS-UHFFFAOYSA-N 498.653 2.725 30 10 JFEE C[C@@H]1CCN(CCOc2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc2)C1 1445041091 BBXVYMGONIWLLP-QZTJIDSGSA-N 456.568 2.584 30 10 JFEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1493191202 FRUJJZZMXUOJNA-GOSISDBHSA-N 497.600 2.653 30 10 JFEE CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1496658535 CTCNHMYGOVZIEX-CNNODRBYSA-N 454.575 2.886 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)cc(OC)c1OC 1504077876 DJBYCZPEQGNFPW-GHTZIAJQSA-N 484.601 2.820 30 10 JFEE COCC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1504757859 DWCYCCHATJQJBR-MHZLTWQESA-N 489.624 2.635 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cn(C2COC2)nn1 1507521714 BGGAZDNNRRDJDD-CQSZACIVSA-N 456.348 2.685 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1nc(C)cc1C 1507527354 HOSSDQPFFGCYOB-KRWDZBQOSA-N 454.604 2.600 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1507547775 XFWFWMKRPXGTHW-YJBOKZPZSA-N 455.456 2.717 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCc2nnc(C)s2)c1 1507552119 KLTWOKTVBNKSCQ-UHFFFAOYSA-N 472.578 2.723 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccn(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1507635051 SCELHKYSUGJEFX-QFIPXVFZSA-N 480.638 2.787 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1507635829 ZRYAAOARMOGCED-OAQYLSRUSA-N 484.670 2.927 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1507658919 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C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1300935167 LPDUJJAUVPXYCI-UHFFFAOYSA-N 486.564 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301593540 OXFDOKIIVSQIAC-MRXNPFEDSA-N 452.552 2.601 30 10 JFEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(F)(F)F)cc2)CCO1 1303001572 DNDXRGMRFKEETH-INIZCTEOSA-N 457.416 2.721 30 10 JFEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(=O)OCC(C)C)CC2)n[nH]1 1304680052 HFYJJGCPNMUCLL-UHFFFAOYSA-N 477.573 2.791 30 10 JFEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)n1 1304894053 GPAUDWJERJLHFL-HXUWFJFHSA-N 451.531 2.771 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1 1313654049 HGGABKJYLJDZJR-JOCHJYFZSA-N 464.618 2.741 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1358912828 ZIVTYZCREWVXSA-NRFANRHFSA-N 464.618 2.560 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1358963589 KQBJMMVVVVPVOY-ZVDOUQERSA-N 450.649 2.945 30 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C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1300413255 RLDLHLFOJWOTMG-UHFFFAOYSA-N 484.651 2.867 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300493137 QTPANHQPKSOLMK-SFTDATJTSA-N 462.579 2.722 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1300503111 ANLAKJYGCRPAFU-MJGOQNOKSA-N 464.588 2.519 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300503187 BBXVBTPJMCOPAJ-HXUWFJFHSA-N 474.627 2.916 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc(C)s1 1300641900 FCWNFERPVYOTKW-QFIPXVFZSA-N 456.547 2.917 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1300709978 NHIAEIRESYXMKZ-JOCHJYFZSA-N 466.630 2.885 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccc(Br)cc2C1 1300763134 NKLSNIRHZULWLZ-OAHLLOKOSA-N 481.441 2.829 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1300875992 QZRINEYQCPRAGY-NFBKMPQASA-N 458.651 2.954 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301060420 FXZWNPSOKLJLEL-KBXCAEBGSA-N 465.904 2.576 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(OCC3CC3)c2)CC1 1301105472 JXCKJOFMLJXUQD-MRXNPFEDSA-N 460.604 2.523 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1301259653 OKFZVNPFRXFJIB-UHFFFAOYSA-N 460.529 2.598 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301481416 LWBRVECAQNQHOX-UTKZUKDTSA-N 483.548 2.654 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301483239 LMZOURYHINUUQR-APWZRJJASA-N 470.574 2.605 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1301485513 WRIZYAYDWDNEIM-DLBZAZTESA-N 461.632 2.803 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2csc(Br)c2)nnc1[C@@]1(OCC)CCOC1 1301520243 VQWFJSOLBQODQK-LJQANCHMSA-N 484.420 2.693 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301602887 YHNLUVJDDKAIPY-UHFFFAOYSA-N 474.594 2.556 30 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2.675 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCCS(C)(=O)=O 1358954324 DTTONSWKAVFQEO-KRWDZBQOSA-N 453.609 2.634 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1358964657 CXFCDJZHKNZQBK-SFHVURJKSA-N 450.630 2.620 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1358965294 RUVOEVYVPRUMOG-IBGZPJMESA-N 487.532 2.540 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358986983 NOMGXPICGQQHPV-FQEVSTJZSA-N 476.606 2.546 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CN(C)CC)c1 1358992740 VIJCWFSIZSKVLS-UHFFFAOYSA-N 458.566 2.969 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCCO2 1359010688 WPKFLJOUCMARPY-LJQANCHMSA-N 483.569 2.866 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(C(C)=O)CC1 1359057346 XLCCLHXHXPSWQA-HXUWFJFHSA-N 490.674 2.818 30 10 JFEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359059473 OFQBILSUUOTKKN-UHFFFAOYSA-N 472.703 2.948 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359097860 UUOUDXBOSXXZJC-REWPJTCUSA-N 469.634 2.635 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)(=O)CC1 1359103808 SWKLCICSSUTDMK-KNQAVFIVSA-N 460.600 2.690 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359129196 UPYSOMQDRPGJMG-UHFFFAOYSA-N 453.547 2.955 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359185249 PEZHABRAXGBIQH-FQEVSTJZSA-N 464.614 2.992 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)c2ccccc2)CC1 1359227844 NSUHJEDOUHHNIQ-HXUWFJFHSA-N 473.643 2.878 30 10 JFEE C=CCn1c(Cc2ccccc2F)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1359288235 NWRKKOWDECEAIC-KRWDZBQOSA-N 455.538 2.997 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1359298155 PAZZZAXSDXQSKT-UHFFFAOYSA-N 467.961 2.581 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(OC(F)F)c2)C1 1359312231 PVVZRDUBVULCHD-MRXNPFEDSA-N 471.468 2.751 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359326567 DAURMYFETKVQPO-DLBZAZTESA-N 455.625 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359330425 RGTRIQYOVGXAJP-IBGZPJMESA-N 485.614 2.604 30 10 JFEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1)N(C)C 1359771850 FKIYNJSMTMKSDA-QFIPXVFZSA-N 489.628 2.822 30 10 JFEE C=CCn1c(SCC(=O)N2CC3(CNC(=O)O3)C2)nnc1-c1ccc(Cl)cc1Cl 1469202823 AZYFPGBMVHZHAK-UHFFFAOYSA-N 454.339 2.851 30 10 JFEE N#Cc1ccc(OC2CCC(NC(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)nc1 1478219843 DRQHSDRBULGVIV-UHFFFAOYSA-N 454.506 2.513 30 10 JFEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1503363594 FHFDNBQLIBDOOK-NRFANRHFSA-N 465.602 2.662 30 10 JFEE N#Cc1ccc(C2=CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(F)(F)F)CC2)cc1 1505316660 FXOPERKEXBBRRH-QGZVFWFLSA-N 451.474 2.908 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507621748 BWYLZNXEQGUUQY-AZUAARDMSA-N 491.658 2.986 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507622675 KZLOFZYZPWMENQ-FBBABVLZSA-N 474.558 2.529 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC(C)C 1507653045 RVMMMDGZKXCAHH-FQEVSTJZSA-N 459.591 2.722 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC2(C1)OCCO2 1507658281 IPZKWCMJUYQNCP-FQEVSTJZSA-N 481.984 2.868 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)c1 1507662185 PGAWMEWNVCOJJJ-UHFFFAOYSA-N 454.376 2.875 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507667974 SUNZHOAYSJKIJF-WOJBJXKFSA-N 487.608 2.945 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC2)CC1 1507734711 UVRWVDNENIFBOQ-MRXNPFEDSA-N 472.387 2.710 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1508109146 KOCSZYPQLQSJKV-HXUWFJFHSA-N 487.626 2.896 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1508130776 IPPINFCRVRUPIK-HXUWFJFHSA-N 459.616 2.749 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1508138098 WGPSDDVRXHRUQP-FQEVSTJZSA-N 477.537 2.741 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1508152313 KPPVDXHHZFRWKZ-INIZCTEOSA-N 463.629 2.807 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2F)c1 1510596098 CQNYHCLZOSKALH-IBGZPJMESA-N 452.490 2.816 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 1513201252 GZICINLRWSNJAG-WTIAFYNJSA-N 479.629 2.982 30 10 JFEE CCO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 1516122096 CIZMOGDQDAAUDM-QFIPXVFZSA-N 488.596 2.787 30 10 JFEE C=CCN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H](Cc1ccccc1)C(=O)OCC 1516155714 LKPTUTPGRYAHIF-IBGZPJMESA-N 453.451 2.692 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(N2CCOCC2)n1 1539037803 ILHCPRBKUSWXKT-IRFCIJBXSA-N 495.628 2.787 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCc2ccncc2)c1 1539039447 CZDSGDJGFUMOQD-SANMLTNESA-N 474.565 2.624 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccnc(SC)c2)CC1 1539427995 LROBHXYVAIGAOC-UHFFFAOYSA-N 496.040 2.782 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCc3cc(OC)ccc32)CC1 1539430722 MLZXPNLKJRMBPT-RBBKRZOGSA-N 467.614 2.886 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1539461759 KXAKWZSRRUBMMP-HYBUGGRVSA-N 453.587 2.682 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](CC(N)=O)C1 1539516803 DIDHOKAHKPUZPN-GOSISDBHSA-N 490.674 2.851 30 10 JFEE C=C(Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1539769802 BRDVCVJZGXTCKX-XMMPIXPASA-N 489.642 2.504 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539929353 UDQFCRDAEKOJOY-JWQCQUIFSA-N 488.633 2.736 30 10 JFEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540006307 UENYXILIOQZSSW-UHFFFAOYSA-N 453.559 2.974 30 10 JFEE CN(C(=O)COc1cccc(Br)c1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 1540129157 BJWCYGGGMKARKY-UHFFFAOYSA-N 452.330 2.613 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1540866455 NUEPAFXJUXEHNW-LZJCXSABSA-N 499.612 2.816 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3cccc(Br)c3C2)nnc1[C@@]1(OCC)CCOC1 1540876383 PLVTZEJILWDWEA-JOCHJYFZSA-N 490.402 2.558 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1540895210 NGJJXSBPYAVYQL-MOPGFXCFSA-N 474.606 2.581 30 10 JFEE COc1ccc(NC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)cc1OC 1548368062 OMLXWSQHILCTEQ-QGZVFWFLSA-N 477.443 2.802 30 10 JFEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1554245786 DVGDTVIUWIRUNO-UHFFFAOYSA-N 466.586 2.994 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1554303265 DHYYCDTUFSBBBF-WOJBJXKFSA-N 474.631 2.643 30 10 JFEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1554357873 IDJXQNVUQIBDOM-WOJBJXKFSA-N 456.616 2.560 30 10 JFEE C#CCC[C@@H](O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cc(Br)ccc1OC 1556349124 NQKUEJIZMWBQKV-PBHICJAKSA-N 455.349 2.914 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@H]2C(C)C)c1 1587692213 AFTATZLTEAHJHB-IZIIKQMZSA-N 478.597 2.737 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587739318 VKFJSUOODKKUSI-OAQYLSRUSA-N 480.569 2.532 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1587782990 HKMLTTAEWJCNSN-UHFFFAOYSA-N 469.634 2.805 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588034715 KTGUEYDXMGGOBK-NHCUHLMSSA-N 473.643 2.557 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCSC)CC1 1588811667 LUNLAGVQTHBWEG-UHFFFAOYSA-N 468.675 2.741 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(=O)NCC)CC1 1589009025 YPKFZSAUCJBHPB-GOSISDBHSA-N 486.711 2.756 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1589151105 RHQFPCLAXFJBBH-ZWDAVXSWSA-N 479.050 2.837 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1589442784 DKJOHTCKPWUPOM-UHFFFAOYSA-N 459.348 2.600 30 10 JFEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccccc1 1593776046 HHIOZKATIDPRHK-SFHVURJKSA-N 464.574 2.704 30 10 JFEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1593894710 DWSGHVAUGASURT-UHFFFAOYSA-N 458.010 2.587 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCNC2=O)CC1 1594581934 HPEMMRHRCPVAJB-UHFFFAOYSA-N 472.615 2.699 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1594626283 LUKYGRVHUDHCFQ-GOSISDBHSA-N 480.660 2.808 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CCC 1595100874 WIYMYIISNIROAH-NFBKMPQASA-N 457.600 2.796 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1595127487 QRJVZZBNDLSPTD-WMZHIEFXSA-N 458.607 2.998 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595490747 YYISNZPOGREOAW-VQIMIIECSA-N 482.610 2.919 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(OC)C2)cc1 1595613838 IZUWHLRTYHILPF-AUSIDOKSSA-N 460.600 2.799 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)NC(C)C)C1 1595713605 BLSBPEJDNWJBLV-SFHVURJKSA-N 479.585 2.542 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1595884507 MFYHOHYXJFUEOY-SFTDATJTSA-N 476.668 2.937 30 10 JFEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1608118891 BWXOCMMJQAKYJP-UHFFFAOYSA-N 467.618 2.954 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1)C(F)(F)F 1611647335 BMVOMKYXFLVWOH-QFBILLFUSA-N 496.559 2.857 30 10 JFEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CCN1CCOC 1614214897 AWKGGIHJLRHUOF-QHCPKHFHSA-N 495.628 2.842 30 10 JFEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCSC2)cc(OC)c1OC 1619079285 FOQMLWQKXNGUEB-XZOQPEGZSA-N 473.599 2.969 30 10 JFEE C#CCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1624726355 KBXZBBVZFNOBBO-AWEZNQCLSA-N 452.882 2.825 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 1625542582 NMBXMNROSQFJGT-BFUOFWGJSA-N 451.321 2.998 30 10 JFEE Cc1ccc(CN2CCSCC2)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1631508771 GABNYKIBYAUSOR-KRWDZBQOSA-N 458.609 2.721 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2Cl)C(=O)OCC)c1 1634534598 CMLQQPASSPYNAR-LJQANCHMSA-N 450.944 2.709 30 10 JFEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN1Cc1ccccc1 1641995605 BRJSNSGPCYXMDT-FPOVZHCZSA-N 454.596 2.531 30 10 JFEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973097 DOMDJYALYABDOX-GOSISDBHSA-N 455.555 2.909 30 10 JFEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 1663379360 QHMUAIKNNBPMOB-HSZRJFAPSA-N 456.564 2.900 30 10 JFEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(F)c1 1667961826 GUXARKRNUAODAH-CYBMUJFWSA-N 450.385 2.865 30 10 JFEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1689886970 LGZATABPRVCGRG-IBGZPJMESA-N 475.597 2.738 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(NC(C)=O)cc1 1690013067 AHEXPISOTYBCHH-UHFFFAOYSA-N 489.605 2.512 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(OC)nc1OC 1690039379 DCPMYQDAWSGQML-UHFFFAOYSA-N 461.522 2.886 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690252281 BYGSQKCUPUDEJC-MSYCTHLASA-N 490.626 2.860 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1690254638 FPFSSUFCRURLMT-XWSJACJDSA-N 474.606 2.643 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690309693 HSTYDTSOQRLJNK-HOTGVXAUSA-N 467.496 2.879 30 10 JFEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1690449918 UXMAFSCDGSSSRB-UXHICEINSA-N 451.637 2.621 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690509128 XQAAWBVHYRFYHO-BQJUDKOJSA-N 491.633 2.898 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 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C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccsc1Br 1611672830 AAVAZLNNXHOERZ-GFCCVEGCSA-N 487.449 2.891 30 10 JFEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)n1 1612510736 GIJAKGIISHRKBE-UHFFFAOYSA-N 496.641 2.581 30 10 JFEE CCS(=O)(=O)NCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C#N)CC1 1617399510 IFAQGAILNQGATB-UHFFFAOYSA-N 474.631 2.968 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1617907381 CSIMWKHGKLSSDP-NRFANRHFSA-N 470.643 2.953 30 10 JFEE C=CCn1c(SCC(=O)N2CC[C@](OC)(C(=O)OC)C2)nnc1-c1ccc(Cl)cc1 1618142050 NXUYHKVPVKLQMQ-HXUWFJFHSA-N 450.948 2.667 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1618564937 DPXICMUCHDXNRH-OAHLLOKOSA-N 482.614 2.744 30 10 JFEE C=C(Cl)C[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OCC 1622450312 OMCGCNGQWKMNHM-NSHDSACASA-N 454.726 2.588 30 10 JFEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@](C)(O)COC)c1 1634434123 FPVIBJPKCXJKGK-OAQYLSRUSA-N 452.960 2.849 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1 1636270332 DJBANHODWKNUDT-KRWDZBQOSA-N 450.543 2.766 30 10 JFEE C#C[C@H]1CC[C@H](NC(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1637334377 PQPITCOAQWAYDE-GUDVDZBRSA-N 454.596 2.853 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)n[nH]2)c1C 1638136661 CQXSGAMVDGOSEF-UHFFFAOYSA-N 454.556 2.546 30 10 JFEE C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1OC 1640391651 RCKGAAVGBMVTQY-XSBJJCPUSA-N 452.555 2.987 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)cc1 1648592329 AYGHLLGPCWNHPN-UHFFFAOYSA-N 451.277 2.628 30 10 JFEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)CC1 1654198649 HWNRSMNNSHAESN-CSKUQDPHSA-N 455.603 2.946 30 10 JFEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc21 1661916352 DIDMCXFVYKAQLC-MRXNPFEDSA-N 453.568 2.761 30 10 JFEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 1666350770 ALTSESWDVLDFNU-UHFFFAOYSA-N 452.496 2.612 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccc(COC3CCOCC3)cc2)[C@H](C#N)C1 1680871538 CKOCLVIQOHLQMD-TZIWHRDSSA-N 458.559 2.940 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1689863577 XAOYGGZVKDZJFD-CABCVRRESA-N 467.389 2.512 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689983633 DHICZDXOGVLLOI-PKHCJMHPSA-N 476.668 2.681 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1689983788 HLUBZPIDMBEALS-MRXNPFEDSA-N 479.400 2.753 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCO[C@@H]1C 1690035941 OSGGBHPIPMYSHY-QVKFZJNVSA-N 461.335 2.850 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690253814 UHNBOLMGAFDLFW-YWWGLXIYSA-N 467.570 2.950 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690306753 DSVZKPWBWFMBDO-KRWDZBQOSA-N 458.588 2.721 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690347555 IUTJYPVEJCQJCT-LJQANCHMSA-N 464.948 2.642 30 10 JFEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)N[C@H](C)CC)CC1 1690373844 KLYLATMZAODNKA-LJQANCHMSA-N 452.607 2.913 30 10 JFEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690508849 QTHDMMYBALCOSO-SIKLNZKXSA-N 455.559 2.736 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 1690663489 YDRVGWRENZENQJ-HXUWFJFHSA-N 496.793 2.659 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCCC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1690731121 AEHZISJTHZAZQT-IPJJNNNSSA-N 452.621 2.548 30 10 JFEE CC(=O)N1CCC(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1690803042 VTHRIAJDKKNIBV-ZEQRLZLVSA-N 458.607 2.707 30 10 JFEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1)OC 1694442258 CYYKYQSPAGRKAE-QFIPXVFZSA-N 468.602 2.702 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccc(C)c(OC)c1 1696328708 DZDOWRHDIKLPTP-UHFFFAOYSA-N 478.601 2.615 30 10 JFEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1697587751 DHJWAVQYVJRALK-NTKDMRAZSA-N 451.527 2.724 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(F)(F)Br)c1 1705507267 WNGQJFKGKUMGRC-CQSZACIVSA-N 468.302 2.826 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705560101 DETZQVQVNCQDAP-MQSCRBSSSA-N 499.681 2.948 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705567311 WIQCUBOUJGJCSX-MSOLQXFVSA-N 471.558 2.897 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1705567923 CVIUJAYZTLJHJV-NRFANRHFSA-N 495.605 2.553 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570070 MEWAAUOHBXTUOD-CQOQZXRMSA-N 498.697 2.649 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(C)(C)O)CC1 1705635926 QXTBCNBBDUZSMG-UHFFFAOYSA-N 452.784 2.887 30 10 JFEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705654089 XJSUZNZLKLXYPP-WOJBJXKFSA-N 466.611 2.659 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1705659136 MHYIOQYYRHOORM-LJQANCHMSA-N 469.611 2.956 30 10 JFEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1705664204 XSRNQYDAMUBQNL-UHFFFAOYSA-N 453.612 2.857 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705695651 JIKCWWZRTDMHIJ-GGAORHGYSA-N 453.587 2.784 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1705697876 YAWJPHRMJOHOEU-JLMWRMLUSA-N 459.547 2.772 30 10 JFEE C=C(Cl)Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760190 CHNWLAFLIMYTCD-GCJKJVERSA-N 451.999 2.814 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705791029 MKRZQJAEHIBFGJ-LJQANCHMSA-N 478.619 2.762 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1705820035 ZEQAMNQDPNUNDI-MRXNPFEDSA-N 451.543 2.751 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H]1CCOC1 1705931183 IEVUEYUWDAQPMK-OAHLLOKOSA-N 499.431 2.790 30 10 JFEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(S(C)(=O)=O)CCC1 1706314599 DCUOOBORWQACGA-UHFFFAOYSA-N 460.579 2.706 30 10 JFEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)C1 1711437537 BCOGRVJAJYUECQ-HKUYNNGSSA-N 473.624 2.967 30 10 JFEE COc1ccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1711817831 FCHZQJPHAHJKGO-HSZRJFAPSA-N 453.522 2.842 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1722278364 LRLLZHQQDBXZNW-ATIYNZHBSA-N 466.630 2.600 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCc2ccccn2)c1 1722306189 ZHCQKXLDEKHFEZ-SANMLTNESA-N 474.565 2.624 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722332458 LJLQHQIMRWRRST-UFYCRDLUSA-N 458.607 2.673 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722365115 CCBMCKBXFQWVJW-RBBKRZOGSA-N 483.569 2.802 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1722369909 IOLXSNTUBDMEIM-SFHVURJKSA-N 489.960 2.720 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCn1ccnc1C 1722376556 SLNVXTIYCQUCFA-UHFFFAOYSA-N 478.626 2.605 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1722383563 LGPCXBMMMKMSMM-VWLOTQADSA-N 454.578 2.719 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1722405790 QKKDFMDGLJCYPX-ZNTNEXAZSA-N 455.522 2.788 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1722435129 BVSWSBWEMXVLTM-RUZDIDTESA-N 453.587 2.657 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C(C)C)C1 1722453082 WFGSIHSEXLPRJJ-GOSISDBHSA-N 476.672 2.774 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722459361 IQADBUXSPMGDTQ-IBGZPJMESA-N 471.631 2.792 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1722460403 GENGVOIFZIPTQY-VXKWHMMOSA-N 467.687 2.625 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1722482633 CLGAZGJZVXXTLL-UHFFFAOYSA-N 493.431 2.915 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 1722495450 RUSTWKQCVUWOOL-TZIWHRDSSA-N 470.599 2.700 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722503202 BVTUHVKRQAWLQH-NQIIRXRSSA-N 474.631 2.572 30 10 JFEE C=C(C)COCCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1722537885 HALKEUQNAQKWAB-XLIONFOSSA-N 461.529 2.596 30 10 JFEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722617873 SVPZWSFUFMLSRK-NRFANRHFSA-N 451.619 2.753 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](NC(=O)CC)C1 1722695382 BCXVCNQNEVQNKP-HNNXBMFYSA-N 493.381 2.644 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccn3)CC2)cc1 1722702658 ORBDHEXBLDBDQX-UHFFFAOYSA-N 461.570 2.751 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722726012 WXJQWQNHLXKMLT-MAUKXSAKSA-N 458.415 2.905 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H]1CSC 1722729062 WJBACMIHEDOBBD-VQIMIIECSA-N 464.613 2.723 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCOC2(CCOCC2)C1 1722731438 KYARILANZBFHDU-UHFFFAOYSA-N 492.667 2.865 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CC1 1722793609 BEHPNKNONDYXDV-UHFFFAOYSA-N 465.602 2.519 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)CC1 1729210255 FDXQKEMCYOTPAN-UHFFFAOYSA-N 486.642 2.884 30 10 JFEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1730420423 HMBNOPJPAVVSSO-NFBKMPQASA-N 496.612 2.619 30 10 JFEE C#CCCCCn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740569436 JZZMMLKSKKETFI-WOJBJXKFSA-N 482.585 2.894 30 10 JFEE C#CCCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740588032 GMEFWMANNJGRNA-OFNKIYASSA-N 464.614 2.746 30 10 JFEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740595995 PGIPXNHOCOAXTE-UHFFFAOYSA-N 466.630 2.778 30 10 JFEE C#CCCCn1c(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740596355 BZJRCZFRCCYWQX-MHZLTWQESA-N 495.624 2.980 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740618597 JGPBNCNEUOPBPU-YADHBBJMSA-N 480.638 2.564 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740624978 LPNDVVNCRKWOEU-NRFANRHFSA-N 456.612 2.763 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@]1(C)OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1740625491 FYUHUCWEVXNGMD-VGOFRKELSA-N 462.641 2.653 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nc(C)c(C)s1 1740643012 CBPUISMSQSKBCX-UHFFFAOYSA-N 473.650 2.837 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cnn(C)c1 1740681364 IJTBTBPKAPDCIW-UHFFFAOYSA-N 459.348 2.584 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)Cc2ccccc2)CC1 1740705426 HEOIKNDTAHCZPU-XMMPIXPASA-N 478.641 2.660 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(C=C)cc2)CC1 1740708176 FQFQZZCCVRJKDD-UHFFFAOYSA-N 471.609 2.991 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1740710256 UNCYTWISGHEZDZ-OAHLLOKOSA-N 499.925 2.549 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCN1CCOCC1 1740755964 MTJDMVWMRNMSNE-WMZHIEFXSA-N 471.602 2.712 30 10 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2.683 30 10 JFEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1748760136 UCEONOURBFFTRT-UHFFFAOYSA-N 459.598 2.753 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1748802098 KYUJWUGHZPTVOM-IBGZPJMESA-N 489.667 2.916 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1748818682 DLEVSBURGVQKIJ-QUCCMNQESA-N 474.652 2.647 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(N2CCOCC2)CCSC1 1748956438 SATXPBRQKUHBRQ-QHCPKHFHSA-N 476.046 2.892 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](OC)C(C)C)CC1 1748989673 AOWFVHXMWNLKSJ-NHCUHLMSSA-N 474.650 2.819 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nc(C3CC3)cs2)CC1 1749001109 ILXFIZUKYNWTSE-UHFFFAOYSA-N 483.642 2.545 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCCCCO)CC1 1749011163 WVLSTAZJHFKJRB-UHFFFAOYSA-N 474.403 2.836 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCNC(C)=O)CC1 1749018649 BZVHRHCSEQKSEE-UHFFFAOYSA-N 494.640 2.647 30 10 JFEE 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760336093 UVWSSWKEVQCDNA-CGXNFDGLSA-N 482.647 2.531 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760353701 BRHUNRKFHXMPKL-GOSISDBHSA-N 481.022 2.591 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1760517741 WOWPXUOIOBBLMS-UHFFFAOYSA-N 488.539 2.830 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(=O)NC(C)C 1760550730 HGTGUQBZEJHKNB-INIZCTEOSA-N 479.672 2.693 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1760555411 FJLXHIPVJFYIPT-IAGOWNOFSA-N 495.671 2.715 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](c2ccc(C)o2)N2CCOCC2)n1 1762407629 CNUXUKTXCNYTDK-WIYYLYMNSA-N 466.590 2.853 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C1 1765730270 BWMUEGVHZCLBIU-JOCHJYFZSA-N 479.585 2.790 30 10 JFEE CCCN(CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1765979634 AXSNRXZDHPPSTL-UHFFFAOYSA-N 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473.599 2.983 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359190607 VXRHTDYMPKUUFO-UHFFFAOYSA-N 460.586 2.687 30 10 JFEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1359226009 SYVSZTVICRYIOB-UHFFFAOYSA-N 457.604 2.961 30 10 JFEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359761474 ICHZBAMBAMCNEV-NYVOZVTQSA-N 486.642 2.738 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCCc2ccccc2)C1 1360787750 BRDPRICLTFQVDL-RUZDIDTESA-N 491.621 2.759 30 10 JFEE C#CCN(CC1CC1)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1446276835 HOKUZGZWGCZNQF-UHFFFAOYSA-N 452.349 2.621 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1 1446380508 SOJXXBKLFLUYOK-JPYJTQIMSA-N 456.564 2.653 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1463718654 UGZIAKCXPQHSLR-NRFANRHFSA-N 456.587 2.693 30 10 JFEE C[C@H](O)C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1465863460 HCPIBWZOXFAQKT-PGRDOPGGSA-N 455.580 2.630 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c1 1475166702 ASCOKJLQPHKGRA-APWZRJJASA-N 451.589 2.916 30 10 JFEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1476366234 HSYGGLXISZKCQS-UHFFFAOYSA-N 451.502 2.832 30 10 JFEE Cc1csc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)c1 1492645713 GKDWWPGNDYTAHK-UHFFFAOYSA-N 471.608 2.763 30 10 JFEE C[C@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1494517476 DULCMQXCVBDJQC-YWZLYKJASA-N 480.386 2.979 30 10 JFEE O=C(Cn1c(Cc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1)NCC(F)(F)F 1505344609 GABCSHIAZGGJOW-UHFFFAOYSA-N 483.388 2.580 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507562671 NBNBHCNVMMAHBD-IBGZPJMESA-N 452.559 2.806 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1507574847 CPFVJCPVIJWXDS-IUKKYPGJSA-N 458.584 2.535 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507629400 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C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(I)cc1 1705549889 LZFWYJZYBUDNNY-UHFFFAOYSA-N 475.290 2.728 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705565882 KCUJLCOUJKICJC-WMZOPIPTSA-N 457.531 2.507 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1oc(CC)nc1C 1705581073 WCSGIOAEWCNBGL-UHFFFAOYSA-N 455.522 2.655 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1N(C)CCCC1(C)C 1705591153 HMKFBXULZDSRSC-HSZRJFAPSA-N 496.681 2.779 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C)nc1 1705622125 YMHAUPGTMZKOBP-UHFFFAOYSA-N 452.946 2.699 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1705674498 KHVOXIRPKJNESM-NTKDMRAZSA-N 489.642 2.740 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1705698453 USCQSHPLSPVIPX-SJBKTWHCSA-N 488.658 2.505 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705740693 UDGJXNVPVZHLRO-RUZDIDTESA-N 485.633 2.645 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1286592748 UBUNWJVCBIVFLD-KRWDZBQOSA-N 484.420 2.586 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286604734 OZBLDKOEMBFTQA-HUUCEWRRSA-N 452.309 2.743 30 10 JFEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286607526 RIDCSDWMZHJJQB-HXUWFJFHSA-N 467.618 2.502 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286612777 YCPMFTWPAUELON-YADHBBJMSA-N 474.650 2.635 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1286739978 AGZRWBHLYJMOPZ-LJQANCHMSA-N 464.574 2.825 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCNS(C)(=O)=O)C1 1286801985 LLNFPEJWIDDBHJ-SJLPKXTDSA-N 479.672 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286815327 RSSABUPLUHHNRJ-OAHLLOKOSA-N 464.897 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1286815431 USGFHZPQGUEJDY-HUUCEWRRSA-N 469.405 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286817695 WNPHGDKSJHPISQ-GOSISDBHSA-N 489.642 2.686 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286817807 ZOQOZSYVJZQFGQ-GOSISDBHSA-N 494.061 2.889 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1286820503 MNCDDCRIQSXVMR-AUSIDOKSSA-N 460.600 2.525 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1286821512 NVZBHNIGQAHPES-KRWDZBQOSA-N 458.506 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCCO[C@@H](C)C1 1286822908 IZDQZUGFAWGWAT-INIZCTEOSA-N 454.980 2.727 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286974858 ABNOEUWPHOBHGB-JFIYKMOQSA-N 498.575 2.959 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1288513477 FJKJSILNVOHJNS-KBXCAEBGSA-N 466.464 2.675 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2cccnc2OC)c1 1300332838 PPEDLWIXQQUCNJ-UHFFFAOYSA-N 455.522 2.792 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCc1ccc(OC)cc1 1300459950 LMCIOBCIRJWDMG-UHFFFAOYSA-N 468.583 2.533 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nc(C(F)(F)F)cs1 1300460269 QHSZANRIINJBHD-UHFFFAOYSA-N 469.518 2.831 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1300488027 ODGZXNYSGSQFFL-JTSKRJEESA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488779 GQYUHKMVZBCRNG-HRCADAONSA-N 463.401 2.990 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1300499827 XRWDPPOGWBIVRS-UNMCSNQZSA-N 479.606 2.667 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300502362 RYXSESNBWGSWIO-HSZRJFAPSA-N 483.682 2.955 30 10 JFEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300504972 WTAWBNHXGXWVDG-AEFFLSMTSA-N 481.043 2.887 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1300711877 JKZIBLAJZNWVBF-DHIUTWEWSA-N 491.684 2.968 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCOCC2)CC1 1300727572 ZTOSBEUFOQYLKJ-UHFFFAOYSA-N 492.668 2.713 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1300743637 WMXKRORSKOILTK-SJORKVTESA-N 466.405 2.786 30 10 JFEE Cc1[nH]nc(NC(=O)[C@@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)c1C#N 1300944911 DGPGAVYVRWAGHB-HIFRSBDPSA-N 451.346 2.584 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1300990509 WCGDRQUKYCEOMA-WOJBJXKFSA-N 462.591 2.981 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1301294481 QQXHPICRKTYESB-AWEZNQCLSA-N 460.501 2.693 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301492472 IWNLBAJTTDJMCL-KNQAVFIVSA-N 480.613 2.635 30 10 JFEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 1301528741 GDTBJANXZRBJIT-FQEVSTJZSA-N 480.613 2.707 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1301542522 OTKVTPHXDJBGJE-DHIUTWEWSA-N 450.587 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301577360 NHFNLMOUYOHTHE-QFIPXVFZSA-N 491.017 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1301589495 TXSCQFSBLTUMTP-LPHOPBHVSA-N 484.981 2.753 30 10 JFEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 1302504893 DQFBVORHSPSVAT-FPYOTAMTSA-N 468.627 2.859 30 10 JFEE C#CCN1CCC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)C1 1303556723 KHDWZVODGUMOFY-KRWDZBQOSA-N 453.402 2.749 30 10 JFEE C=CCOCCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1313022999 YOQVEGNMGFXFAW-OALUTQOASA-N 452.596 2.516 30 10 JFEE C[C@@H]1Oc2ccc(/C(O)=C(/C(=S)N=C3C=CC(=C(N)O)C=C3)[n+]3cccc(CO)c3)cc2NC1=O 1321498211 RBCIPNCCZGRKRM-AWEZNQCLSA-O 491.549 2.692 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358966238 KQAARDYZRROQRX-KRWDZBQOSA-N 472.558 2.943 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1359012602 SLBMQTCPMDAQQW-LADGPHEKSA-N 450.631 2.653 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1359033061 NSQPLFHKKJSUDB-UQBPGWFLSA-N 455.603 2.905 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359033173 SFMRSKGZVJIYLY-ACDBMABISA-N 453.587 2.921 30 10 JFEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359203705 UKTVURLHEOZLCI-MOPGFXCFSA-N 473.622 2.963 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359221958 UBWRYGFHCLRJRM-UHFFFAOYSA-N 481.582 2.542 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(c2ncccc2F)CC1 1359293974 GOQSDBLFXXBSEF-UHFFFAOYSA-N 465.533 2.507 30 10 JFEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1359300170 VRUCRXFOMZCCAL-GOSISDBHSA-N 454.575 2.946 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1cccc(O)c1 1359301220 VDHLQKIGZBKINS-GOSISDBHSA-N 476.585 2.657 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1cccc(O)c1 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CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2366923790 WGXZOILOIAKGJQ-CZUORRHYSA-N 468.306 2.573 30 10 JFEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)[C@H]2COC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2377315655 JQNJYQMCBWXXAV-ABELJDTGSA-N 483.606 2.820 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)S(=O)(=O)CC(=O)Nc3cccc(C)c3)cc21 19978433 MUPSKXQUTUIBFJ-MRXNPFEDSA-N 456.520 2.531 30 10 JFEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)c1O 21319159 QZZUERBQNKFTHK-PGGKNCGUSA-N 481.460 2.902 30 10 JFEE Cc1ccsc1[C@H]1C2=C(O)N=C(NCc3ccc4c(c3)OCCCO4)NC2=NC(=O)[C@H]1C#N 72461198 NFLVVIPAJOJPQH-WMLDXEAASA-N 463.519 2.899 30 10 JFEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1 102540152 BPTIFTFNBWTFCS-QQYUXEJHSA-N 496.560 2.856 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2OC)cc1 103222384 TZXZYQUQZOAJRC-UGUGFTGJSA-N 466.534 2.848 30 10 JFEE N#Cc1c(CCCNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nn(-c2ccccc2)c1N 108091130 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CCN(CC)c1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084212201 LJISEZGLRQJMHF-UHFFFAOYSA-N 470.607 2.792 30 10 JFEE CC(=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccc(F)cc1 1084314184 UISDEKRMMBPITN-UHFFFAOYSA-N 477.547 2.548 30 10 JFEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=Cc3ccccc3[N+](=O)[O-])n1)CC2 1084612505 GXFNBNSRPLWPPL-UHFFFAOYSA-N 497.537 2.853 30 10 JFEE COc1cc(C=NNc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2N)cc(OC)c1OC 1084639696 VWTZSQCXGDXREG-UHFFFAOYSA-N 485.570 2.811 30 10 JFEE C#CCC1(NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CCOCC1 1155806238 HRXVCRCJXFYRGD-UHFFFAOYSA-N 458.492 2.973 30 10 JFEE C#CC[C@@H](NCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)c1ccccc1 1192791917 NCCVUBBIQQFVKF-OAQYLSRUSA-N 452.580 2.931 30 10 JFEE COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1215400453 DZLQGPWGCJACQI-UHFFFAOYSA-N 458.540 2.939 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(SC)c1 1286280166 UCHLOMDCQADALK-MRXNPFEDSA-N 470.624 2.819 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCc2noc(CC)n2)c1 1286310346 UAYCWLWARCKYTP-UHFFFAOYSA-N 456.510 2.584 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1-n1ccnc1 1286377092 RTMIQZKUYBBYHU-OAQYLSRUSA-N 477.569 2.890 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1286386396 ZINVHVKRLKSXBO-MJGOQNOKSA-N 460.600 2.678 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286386965 KYYNVVTYNFCCHS-HXUWFJFHSA-N 453.543 2.739 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1286412504 BKGJEMLZNHRQJM-UHFFFAOYSA-N 497.607 2.667 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC1CCS(=O)(=O)CC1 1286457693 CDSPECMFQVKUBH-UHFFFAOYSA-N 467.570 2.868 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOC2CCCCCC2)CC1 1286472803 LMWHNQLORXSSOH-RUZDIDTESA-N 459.635 2.813 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCCN2CC)CC1 1286474816 QIVZZGAFRRUROZ-JOCHJYFZSA-N 466.630 2.982 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1286515363 IIHGWDWNNUMGLZ-RPBOFIJWSA-N 451.571 2.720 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1286523347 SVGZKFNUOYTNGR-OXJNMPFZSA-N 484.047 2.561 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286546200 HGEGFQCFRFVJDT-DLBZAZTESA-N 488.530 2.518 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286605535 ZPRRXKRXBULWGG-QUCCMNQESA-N 459.616 2.614 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286746115 OVKXHSVTVFVNOW-OAQYLSRUSA-N 466.611 2.738 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286815576 BBVSWIULWSRLLI-UHFFFAOYSA-N 480.034 2.894 30 10 JFEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286823218 LDMLUGBOPUOGJA-QGZVFWFLSA-N 477.034 2.743 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286823359 VCXRJBYAOVXNIJ-UHFFFAOYSA-N 477.675 2.841 30 10 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C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300488412 RKMNGWSXXMQMAX-OAQYLSRUSA-N 465.579 2.552 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1300488683 GENCCRRHNBIHKY-LJQANCHMSA-N 484.578 2.929 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300504721 RCFXKYUMWIMZRN-NZQKXSOJSA-N 499.681 2.833 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC=CCO2)CC1 1300725723 CUQCSGVFONGHFR-NRFANRHFSA-N 453.974 2.833 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OCC)CC1 1300777325 UFKSYXKQWWJHQB-UHFFFAOYSA-N 459.572 2.511 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1300779505 XNAAYKSGSZCAIW-KPDCDPCYSA-N 460.575 2.606 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1300837159 JUEGEPUGPDXGGP-SFHVURJKSA-N 462.440 2.797 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1300989832 RISYWYFOVQLMLB-IBGZPJMESA-N 456.547 3.000 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1301196989 LYFAJJZRKZYRQO-OAQYLSRUSA-N 461.570 2.747 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(c2ncccc2F)CC1 1301515215 RLVNBNYTHKYABM-UHFFFAOYSA-N 483.523 2.549 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2C(F)(F)F)C1 1301537583 CEUWUGYZOARUGV-HOCLYGCPSA-N 473.521 2.737 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301577111 FDOGULPRZDYNRN-UHFFFAOYSA-N 486.667 2.941 30 10 JFEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1301890316 HRSYYEGRNQRKFG-UHFFFAOYSA-N 496.522 2.857 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1302274965 BJPSZUQCSFTJPX-WOJBJXKFSA-N 468.558 2.726 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1303628268 APXPLFCTSQULAH-KBPBESRZSA-N 499.410 2.867 30 10 JFEE CCN(CC)[C@H](C)Cn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313727737 FBMFKIRKSVIVPX-LJQANCHMSA-N 467.666 2.981 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCC1(F)F 1314873474 DTYKMLPRZHKLFA-KRWDZBQOSA-N 452.531 2.628 30 10 JFEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1316001991 GEEBTTQBEZSOIT-SFHVURJKSA-N 453.572 2.994 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)COCC)c1 1358901084 ZIVZCDVZUVCXFU-UHFFFAOYSA-N 466.586 2.633 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1358913672 VCWAMQPIMMXLJI-FQEVSTJZSA-N 488.633 2.839 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1358927234 RABAQMJZBGJYFT-UHFFFAOYSA-N 461.570 2.708 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358959113 BRLHRXFOHMHPLS-ICSRJNTNSA-N 487.626 2.733 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358966328 MOSDLIAMWLMDMG-UPVQGACJSA-N 483.682 2.810 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCCCCC1 1358972211 XWZBGSLNSWBAMK-UHFFFAOYSA-N 451.571 2.920 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(N)=O)C1 1359052774 PNCRLPQFKUCXAT-CYBMUJFWSA-N 466.380 2.915 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1359055420 DFBDEDRMKJHXNU-ROUUACIJSA-N 455.584 2.954 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1359066769 OKGUMRVRYUNBPY-WOJBJXKFSA-N 469.394 2.794 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359100515 COPMYRBTSIGYQO-HBFSDRIKSA-N 478.519 2.750 30 10 JFEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359123047 LDCVFCGPCUJBGR-UHFFFAOYSA-N 465.627 2.648 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359137412 OYAHDHQNPNJNMS-WOJBJXKFSA-N 483.679 2.650 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1359144067 WINIZYRAWKCDGG-UHFFFAOYSA-N 471.787 2.767 30 10 JFEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1359165269 LRNZVYKXJDATSG-IRXDYDNUSA-N 453.609 2.640 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C)C1CC1 1359251889 YFVDWIGJBGZNSA-OAQYLSRUSA-N 459.616 2.625 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(SC)CCN(C)CC2)C1 1359312402 UPSHNVRASTUXQQ-GOSISDBHSA-N 471.631 2.534 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCC(F)F)C1 1359315232 QHODWKQGVBGSTK-HNNXBMFYSA-N 470.318 2.870 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCOCC2(CC2)C1 1359334664 NIVTUTBRZXGAFN-UHFFFAOYSA-N 460.600 2.692 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359336221 IMTIYWCFJGPGGY-LJQANCHMSA-N 481.630 2.970 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1359341348 UGYZKSAXKYDYQR-UHFFFAOYSA-N 495.653 2.899 30 10 JFEE C=CCSCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1359346853 XXBJZFDHYVWNLQ-HTAPYJJXSA-N 467.636 2.953 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(N(C)C)CCSC1 1359476407 DINXPUVHMAVGIJ-NVQXNPDNSA-N 496.729 2.676 30 10 JFEE Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1360926004 FQIYRFXHCADQDR-IBGZPJMESA-N 471.608 2.965 30 10 JFEE C=CC[C@@H](NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1)C(=O)OCC 1447547041 CKJXJPNAXMVCMW-JTDSTZFVSA-N 458.584 2.960 30 10 JFEE Cc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1448867028 HIVRZSNYAFJETA-MRXNPFEDSA-N 451.552 2.747 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCCO[C@H]3C(C)C)nnc12 1472520466 WIGDTINYPGJJAY-JXFKEZNVSA-N 455.584 2.890 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(C(N)=O)nc1 1507522247 BWICBXILHGYZCP-CYBMUJFWSA-N 469.343 2.716 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cccs2)c1 1507549978 RNOBAPLPCXFZII-UHFFFAOYSA-N 473.562 2.821 30 10 JFEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507577573 SMZLFBAZABWKBF-UHFFFAOYSA-N 481.626 2.999 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507580879 MVLHXZBFHLTYIH-UHFFFAOYSA-N 474.569 2.616 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccnc(OCC2CC2)c1 1507617013 QHYUGKWZWTWHNF-FQEVSTJZSA-N 482.585 2.888 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507625426 ITIUXOBXONLKGM-ZWKOTPCHSA-N 478.590 2.999 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1507625897 LNWQEIARSVUZTK-VXKWHMMOSA-N 469.655 2.931 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2C)n1 1507716159 HVWMWBWLUNNXIH-OAQYLSRUSA-N 481.988 2.722 30 10 JFEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507788480 PUYICPFHHZSGOK-IAGOWNOFSA-N 477.407 2.540 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1507936065 XHTIKJKXUZMZAQ-JLHGSKIFSA-N 465.620 2.640 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C 1507959118 MWYOORCBOQTZCI-HNNXBMFYSA-N 478.391 2.976 30 10 JFEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507960670 VBMJGACZDUIOHA-ZJSXRUAMSA-N 466.630 2.835 30 10 JFEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507964640 ISGLSEOECLDJGA-UHFFFAOYSA-N 472.977 2.636 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccnc2)c(F)c1 1508408921 AAQXUHVEDYPEPC-HZPDHXFCSA-N 487.561 2.859 30 10 JFEE CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1513458022 HXVJQOIPDUUFPM-SFHVURJKSA-N 464.574 2.619 30 10 JFEE CCN(CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1515709572 FHFUJWOOUHYJGB-HXUWFJFHSA-N 484.985 2.624 30 10 JFEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OCC(C)C)cc2)CCOC1 1516217657 ATGATFAFOPEOIH-URXFXBBRSA-N 455.559 2.742 30 10 JFEE COCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1518674816 FATMYRHYEZBLRF-UHFFFAOYSA-N 474.009 2.941 30 10 JFEE CC(=O)N(Cc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1)C1CC1 1531981284 IJFHFFHWGABTSO-JOCHJYFZSA-N 459.506 2.913 30 10 JFEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1539053766 ZPFSRMLTHHCYKX-GOSISDBHSA-N 453.616 2.987 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1539216696 VWKBUJHKMSWQGX-IBGZPJMESA-N 498.609 2.627 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1539242052 OHFJBDWFQPFGRP-QFIPXVFZSA-N 452.356 2.791 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(OCCOC)CCOCC1 1539306087 BYUYEFCWWUZNCF-UHFFFAOYSA-N 457.962 2.669 30 10 JFEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539372197 SKZBPWBQJIJFLK-ACRUOGEOSA-N 466.586 2.748 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCC(C)(C)C1 1539406383 ZQAZVLJRXMEWHD-UHFFFAOYSA-N 453.587 2.924 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)n1 1539424521 SBBYELFBKDRXTK-URXFXBBRSA-N 473.581 2.851 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](F)COC)CC1 1539474332 OXFDXMSSPVAEPD-INIZCTEOSA-N 478.366 2.658 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539480923 GQZRYPHGFYQWGP-FUPPJEDESA-N 470.662 2.506 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCc2ccc(OC)c(OC)c2)CC1 1539480953 HHNJVFFZZYYXGS-UHFFFAOYSA-N 451.571 2.771 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)CCOC 1539556433 CJUZQNURRRAZRV-RUZDIDTESA-N 474.650 2.963 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1539641579 MVZPIGRCVPFXCU-IZBOUPIGSA-N 472.678 2.936 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)CN1CCOCC1 1539651460 GTNUPNQYAADHOX-IBGZPJMESA-N 489.690 2.917 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1539705496 WXYMGRHZBHIEEE-AEFFLSMTSA-N 459.572 2.910 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1)C1CC1 1540095464 QIUZKIBKNWSWKI-GOSISDBHSA-N 459.616 2.792 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1540177374 OEHSZYGXCYSMBC-OAQYLSRUSA-N 471.627 2.717 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1540874649 NNGCGCYEZPBFGD-FQEVSTJZSA-N 468.602 2.562 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)C1 1540891156 QBBFSVLGDDIENK-LEWJYISDSA-N 460.600 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1540899589 TZYRKVDEAVBDCP-NRFANRHFSA-N 494.625 2.543 30 10 JFEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1540911273 QBMAOFCWHYWFOA-LJQANCHMSA-N 466.615 2.959 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1541235822 CHBNHGPXITVOKJ-HEIROHQZSA-N 457.600 2.893 30 10 JFEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl 1545598826 GTMACGSVVJJVLP-FTLABTOESA-N 456.351 2.770 30 10 JFEE CNC(=O)[C@H]1CN(C(=O)c2cc(C)nn2C)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375626 RCWGANVFMIMQHQ-LJQANCHMSA-N 488.514 2.724 30 10 JFEE C=CCn1c(SCC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)nnc1-c1ccc(Cl)cc1 1557081268 BSFYEMTWWUOEJN-JKSUJKDBSA-N 450.008 2.790 30 10 JFEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)CC1 1558102402 JAFKYMLBEFIFAU-UHFFFAOYSA-N 456.564 2.819 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C2CC2)c1 1587689210 DPMKRIMVEDXOKQ-UHFFFAOYSA-N 477.956 2.576 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588074628 PDPQLEYQOWDCNN-PLACYPQZSA-N 479.691 2.554 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCN1CCC[C@H]1CO 1588133561 IILKXBGRTSTODN-PKTZIBPZSA-N 498.672 2.702 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1588763005 PPPIIMQONBSXKL-UHFFFAOYSA-N 490.612 2.957 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1588806236 KMFOMHUSYFDZHK-HKUYNNGSSA-N 464.467 2.606 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1588899543 RVOCCYPISFRWPE-QHCPKHFHSA-N 496.656 2.949 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1589558514 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C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1587931917 FUDRPYHAAUSQCY-UHFFFAOYSA-N 475.578 2.664 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587936950 CVYOXZIAAIBTKV-HNNXBMFYSA-N 479.448 2.781 30 10 JFEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587975188 RHYIMYRCAKSNEZ-OAQYLSRUSA-N 461.570 2.612 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1588068882 BLJUAXZFNIRLQT-QGZVFWFLSA-N 480.537 2.538 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588069511 PNERAYHMKGFYKW-HNNXBMFYSA-N 492.520 2.876 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCSC1 1588193711 JRUKKEKGCHXTPW-IBGZPJMESA-N 471.652 2.802 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1589544593 IXECDNCEVUMMAV-PXNSSMCTSA-N 450.992 2.738 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1589544605 IZUWFWHAKVDOFE-FKBYEOEOSA-N 479.691 2.718 30 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JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCOCC2)CC1 1597454577 GLAFDSRNDQCXGV-LJQANCHMSA-N 460.579 2.548 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3ccc4[nH]c(=O)c(=O)[nH]c4c3)C[C@@H]1C)C2=O 1614472742 GVLHSVZHQFVILY-JUZXBQNTSA-N 497.891 2.806 30 10 JFEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1615094764 DTVTVZSAODERSV-UHFFFAOYSA-N 464.961 2.670 30 10 JFEE CCN(C)C(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1615144222 GUEJGIKKANNURJ-NFBKMPQASA-N 479.629 2.873 30 10 JFEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)c1ccc(Cl)cc1 1618970741 HZFUBSLOBMPZDB-JKIFEVAISA-N 454.984 2.668 30 10 JFEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1628554640 UNBIXXDPKFACMC-IBGZPJMESA-N 459.591 2.649 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 1631651104 HNKFMEYAAJPTRC-NRFANRHFSA-N 455.559 2.940 30 10 JFEE CCc1cnc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)s1 1649613639 HMNRKIXQNPZIOA-LJQANCHMSA-N 465.583 2.933 30 10 JFEE CC#CC[C@@H](CO)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 1673607257 OOIHCXUWWFIUOW-KRWDZBQOSA-N 453.495 2.570 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ncccc1Cl 1689836038 XLSKIVYLURFQPN-MRXNPFEDSA-N 489.001 2.781 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689983775 HEZYNCGVCAXULM-AUSIDOKSSA-N 485.997 2.528 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689984656 RYTTWBVZQQEAAP-LJQANCHMSA-N 454.552 2.725 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689993499 FMSALVWGHQEDBW-FQEVSTJZSA-N 491.683 2.857 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689998444 MMBHCZNATHYFPP-PNJWGLBASA-N 486.638 2.741 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn2ccccc12 1690108131 QEDKTPRUNPRNPD-PUZFROQSSA-N 479.585 2.831 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(N(C)C)CCOCC2)CC1 1690113864 WSPABAXIVGFUHJ-UHFFFAOYSA-N 487.446 2.574 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690175454 XRHKLSSYTWEZFV-ZCNNSNEGSA-N 492.690 2.872 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OCC)c(OC)c1 1690211061 RRFQMWBPCJBOFC-RUZDIDTESA-N 467.570 2.857 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690275195 YDUAOSJGVGYXMD-HNNXBMFYSA-N 453.996 2.606 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690296956 ZEFYUACPLKJHGK-IRLDBZIGSA-N 482.629 2.821 30 10 JFEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690322213 XUTGQGUNHJRMLS-OTWHNJEPSA-N 463.604 2.938 30 10 JFEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690373363 DCEWOHKVVKETMD-SFHVURJKSA-N 487.605 2.537 30 10 JFEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690475304 MQXMLOXFWHQSCK-ZHALLVOQSA-N 491.614 2.939 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1690565878 WGRYBSGKOAHITF-NRFANRHFSA-N 471.627 2.775 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1 1690571919 NHALAQQLNLIODE-HXUWFJFHSA-N 471.675 2.794 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCCC1 1690615940 XFYPILNNFOWIMM-UHFFFAOYSA-N 476.599 2.713 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC2(CCOCC2)C1 1690659217 MUGVBHGYIBHXCX-UHFFFAOYSA-N 466.586 2.846 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1690661927 LMNWPRKOGPUJOB-QGZVFWFLSA-N 471.949 2.985 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)CC1 1690733918 QPCJKRFLWSGBNN-UHFFFAOYSA-N 458.588 2.955 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCCc2ccccc2)n1CCC(C)(C)O 1693745993 HPFAXCHNROSORN-FQEVSTJZSA-N 474.613 2.991 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)O1 1693782890 FTOFXICSYVSOCZ-SIKLNZKXSA-N 479.629 2.763 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(c2ccncc2)CC1 1695764565 DCZGCHYZDMEMSU-UHFFFAOYSA-N 493.637 2.999 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CC(C)(C)OC)CCOC1 1696084755 GKSNWMKKEAFMBA-GBXCKJPGSA-N 455.559 2.805 30 10 JFEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(N3CCOCC3)CCSC2)cc1 1697397957 CODLBRZLENNJPY-CPJSRVTESA-N 484.670 2.876 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1705492686 VKIRGNKBCNHFBR-ATLLOTDBSA-N 470.618 2.861 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(Cc2ccccc2)CC1 1705574687 KQHGDBOVVSUVKM-MHZLTWQESA-N 461.610 2.915 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nnnn1CC1CC1 1705585479 FGMZTHSIEOAJLI-UHFFFAOYSA-N 471.352 2.682 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1705626082 IOXPSIJARUPTBV-UHFFFAOYSA-N 494.596 2.817 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCCCCC2)CC1 1705636618 RCVFAAQLNBJTPF-UHFFFAOYSA-N 453.587 2.803 30 10 JFEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N2CCCCCC2)CC1 1705642208 KOJXKNRIQJEELI-UHFFFAOYSA-N 464.614 2.713 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(COC)CCCCC2)CC1 1705650388 QOPOKLIVZCIHQI-UHFFFAOYSA-N 464.614 2.827 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705736003 ZMGPZALQXZEZHF-PMACEKPBSA-N 488.633 2.700 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1705818860 XOMMTQZUNFTLNR-UHFFFAOYSA-N 461.492 2.843 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(=O)NC 1705861063 SHUADCOQYAPJBR-UHFFFAOYSA-N 460.586 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(OCc2ccccc2)CC1 1705936696 WQAHLBOPMYRMNI-FQEVSTJZSA-N 460.600 2.568 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1706420001 BMIDNQRSYCPILS-OYRHEFFESA-N 466.634 2.569 30 10 JFEE CN(C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1)C(=O)OC(C)(C)C 1711155417 AFTOVASUDURJCM-SFHVURJKSA-N 477.573 2.687 30 10 JFEE COCCN(C)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2C#N)CC1 1712419028 DVMFUBNCRLGNRH-UHFFFAOYSA-N 474.613 2.815 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC(C)(C)N2CCOCC2)c1 1722305191 NBYPJENOJJOABA-IBGZPJMESA-N 452.603 2.959 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1722364028 DKZHNFSXOSLZGC-QFIPXVFZSA-N 481.647 2.802 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)CN1CCCC1 1722426419 HVWMAIIPYZNCLK-QFIPXVFZSA-N 453.587 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OC(F)F)CC1 1722444864 GWVDSGQFCJKGLB-UHFFFAOYSA-N 468.508 2.899 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1722449071 FTBNBZRWKAAYJA-DFBJGRDBSA-N 498.653 2.583 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722468773 PTFFVNYLIPVROZ-LVCYWYKZSA-N 473.540 2.647 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1722491633 MIPIELGXPKYHJH-SIFCLUCFSA-N 481.569 2.710 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCNS(C)(=O)=O 1722507007 OAGIECOPOKTHNE-WIYYLYMNSA-N 486.598 2.567 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722509566 NOQMEPFKGDIGFF-CVDCTZTESA-N 491.633 2.849 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC(C)C)CC1 1722523229 IIDPQTULPHORMJ-UHFFFAOYSA-N 454.623 2.575 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722592689 YFMNBTKTDYOMJF-KRWDZBQOSA-N 454.575 2.926 30 10 JFEE C=CC[C@@H](Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1722598030 YUDKXRYFOGHBMZ-URXFXBBRSA-N 474.627 2.913 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(C(N)=O)CCOCC1 1722678338 YKJFKIXPYIEFNB-UHFFFAOYSA-N 478.391 2.629 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNS(C)(=O)=O)C1 1722717341 JEAZUKWZVFISSR-FQEVSTJZSA-N 461.632 2.963 30 10 JFEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1cccs1 1723892425 CAJFAQLVDYEJAP-INIZCTEOSA-N 459.597 2.902 30 10 JFEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1727920424 FFCPFBHUUAFXEO-KBMIEXCESA-N 468.602 2.973 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1728762115 FRNPLFPIZMRCEG-BVAGGSTKSA-N 482.629 2.795 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)c1ccco1 1740561119 XBLIGOVCCQWYID-RLWLMLJZSA-N 462.598 2.601 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1740604348 DMHCJPAHGAQFCC-INIZCTEOSA-N 460.376 2.580 30 10 JFEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740619846 ADVRUJIYAVVMEN-NQIIRXRSSA-N 482.610 2.508 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740620030 SPSPAONRLOXYPB-DKZVUGQWSA-N 463.003 2.776 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1740621233 UZJSIDFIEDPVEH-NTKDMRAZSA-N 490.626 2.529 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnc2n1CCCCC2 1740651135 ZRSRPLUJCUYKTC-UHFFFAOYSA-N 459.554 2.791 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1740670484 QFWUKUWZDFNJQP-RBUKOAKNSA-N 479.647 2.819 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)NC(C)(C)C)CC1 1740699477 IOXQEIDUPFWNPA-UHFFFAOYSA-N 452.603 2.534 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CO)CC1 1740718617 SADZNUAKBNMAAM-UHFFFAOYSA-N 463.648 2.968 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1740738248 HSZWWDSAPDJWFB-UHFFFAOYSA-N 479.404 2.844 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740783886 YAVPVVCANARKRV-UHFFFAOYSA-N 456.597 2.870 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740807285 VSVJMZXZBABHQA-QFIPXVFZSA-N 474.949 2.529 30 10 JFEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740877643 HHLZSLWEBZSOAQ-UHFFFAOYSA-N 483.642 2.696 30 10 JFEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCSC1 1740938778 LYIYPYSNDSJPPR-QGZVFWFLSA-N 464.661 2.939 30 10 JFEE 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COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(N(C)C)cc2)cc1OC 254572644 JTBUGDAPKJJPFE-PXNSSMCTSA-N 475.592 2.685 30 10 JFEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1c(C)cccc1C 729671748 OGAGNRNALDHWND-UHFFFAOYSA-N 471.586 2.583 30 10 JFEE CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(NN=Cc3ccncc3)n2)c(C#N)c1C 1083958885 HGYOOTHRMPNAPC-UHFFFAOYSA-N 470.540 2.795 30 10 JFEE COc1cccc(C=NNc2nc(SCCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)c1O 1084227526 RAYXKARWVCHLRC-UHFFFAOYSA-N 457.472 2.994 30 10 JFEE COc1ccc2nc(NC(=O)CSc3nnc(NN=Cc4cnn(C(C)C)c4)n3N)sc2c1 1084351093 JMSAYYBEZIMEDR-UHFFFAOYSA-N 486.587 2.564 30 10 JFEE COc1ccc(Cl)cc1NC(=O)CSc1nnc(NN=C(C)c2ccccc2O)n1N 1084370574 QMTUGUMXKPALCQ-UHFFFAOYSA-N 461.935 2.926 30 10 JFEE C#CC[C@]1(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1151191584 QMJDYYPWWLGLOS-DNQXCXABSA-N 450.576 2.986 30 10 JFEE COc1cc(OC)c(C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c(OC)c1 1174826762 HLSBQZCBKLIXOE-OAQYLSRUSA-N 458.603 2.584 30 10 JFEE COc1ccc([C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)c2ccccc2Cl)c(OC)c1 1187504856 ABBAJIFXKCHAMV-YWZLYKJASA-N 451.932 2.505 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286365818 KEOOKLZJPDMGDN-INIZCTEOSA-N 461.588 2.673 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286382414 ASPJXEQQRUKMGZ-INIZCTEOSA-N 468.526 2.687 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286387680 UBVGNGAGAIQQHF-PMACEKPBSA-N 473.643 2.557 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1286388337 NPEXDBAQJXTCTE-OAHLLOKOSA-N 488.944 2.863 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](Cc1ccccc1)OC 1286413147 IDKIIZMBQPJICA-XMMPIXPASA-N 469.593 2.783 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1286416384 QSWXRLGDSSRAJD-DVECYGJZSA-N 452.628 2.853 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCN(CC)C1 1286418403 IIJNCTGZCQVQEU-LJQANCHMSA-N 451.571 2.776 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1286465205 JVEQMOZAWSHJHH-HXUWFJFHSA-N 482.585 2.905 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cnn(CC(C)C)c2C)CC1 1286489649 AVEBQZHUEOMUBH-UHFFFAOYSA-N 460.586 2.515 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2c(CC)nn(C)c2CC)CC1 1286490220 ISCVAXOZPPYCDB-UHFFFAOYSA-N 451.619 2.808 30 10 JFEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1286499859 WINYRJQGWIXWCP-UHFFFAOYSA-N 455.628 2.904 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286510451 SOOPSDOZKUFWQI-HNNXBMFYSA-N 485.507 2.867 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1286554513 HQCVAANYUPIUDV-XCRACJGTSA-N 472.634 2.732 30 10 JFEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1286606609 WACMVNGVYNTVGU-IBGZPJMESA-N 482.585 2.680 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2cc[nH]n2)CC1 1286656445 WJGLUYNDCFEZRE-UHFFFAOYSA-N 459.352 2.591 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286819174 CGRUYKWOVFUXRW-UHFFFAOYSA-N 477.656 2.915 30 10 JFEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1300352688 AWJPTXNZASDPTK-UHFFFAOYSA-N 463.630 2.914 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1300485430 WGCRVORZQIRSFB-AEFFLSMTSA-N 473.530 2.529 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)NCc1ccco1 1300565009 JXDVJIODRKDBTC-UHFFFAOYSA-N 451.914 2.979 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300578626 NPVHCUDPEINWHP-HXUWFJFHSA-N 492.628 2.828 30 10 JFEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCN(C(C)C)CC1 1300626675 BPPRYZZUNCTZTH-IBGZPJMESA-N 456.591 2.697 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1300711776 HBBFUVIZQKKDRN-ROUUACIJSA-N 460.623 2.918 30 10 JFEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301186476 ZZPCDZMAOFBPBS-KRWDZBQOSA-N 485.614 2.716 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1301258356 QPFPNEHTTKLVBX-MOPGFXCFSA-N 493.605 2.569 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301481216 JJUCFDPNUSDVCP-UWJYYQICSA-N 483.548 2.654 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301489857 FIUSNDZVMSKAPZ-DLBZAZTESA-N 463.369 2.802 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(Cn2cccn2)CC1 1301576739 AXQSALPDCSYVFA-UHFFFAOYSA-N 454.600 2.967 30 10 JFEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1303063367 FVDCKJYTEDCKJG-UHFFFAOYSA-N 456.682 2.720 30 10 JFEE CCOC(=O)[C@](C)(NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 1308088054 GVWCQNMRYFCVFC-WIOPSUGQSA-N 452.530 2.603 30 10 JFEE COC[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315791079 ANNQDXBFPIALBL-LJQANCHMSA-N 492.628 2.997 30 10 JFEE COCCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnn(C)c1 1316100992 FHHVYUDTFRYJAB-UHFFFAOYSA-N 472.594 2.541 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)Nc1cccc(N2CCCS2(=O)=O)c1 1350430305 BFCOHHHWIFJOPZ-UHFFFAOYSA-N 450.314 2.878 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnn(CCOC)c1 1358888670 QFAKZXKGHSVCFF-GOSISDBHSA-N 471.606 2.742 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1358959400 IGPBMRDKBFLHAX-GBESFXJTSA-N 476.574 2.898 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1358959590 LWIURGBGPSNWKN-JOCHJYFZSA-N 490.589 2.676 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cccc(N2CCOCC2)n1 1358969541 QZSVRVOZNGLWFT-FQEVSTJZSA-N 474.540 2.910 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(I)cc1 1358982466 XZWIJFWIBXGXAN-UHFFFAOYSA-N 484.345 2.865 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359004547 AKXDRAWPGZBHTO-UHFFFAOYSA-N 455.950 2.708 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCN2CCC)CC1 1359044010 REXOUQHHNNYVAG-JOCHJYFZSA-N 463.630 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCn2ccnc2C)CC1 1359046945 LSNYBACDMBTMEO-UHFFFAOYSA-N 475.597 2.727 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1359047369 DJXXELVAMPOYFE-XZOQPEGZSA-N 464.614 2.707 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359052757 ORRPMGLUIFTGMW-GOSISDBHSA-N 455.584 2.783 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1359093106 KDIPAYLCNHUUPB-XMSQKQJNSA-N 499.612 2.915 30 10 JFEE C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359190786 CHKOMSJLNCHFDU-QFIPXVFZSA-N 479.673 2.912 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359221412 AVXQZMYJXMPUGT-HXUWFJFHSA-N 475.615 2.753 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359222030 WMKOPALGTJUWDP-UHFFFAOYSA-N 466.586 2.506 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1359272520 VNGIYCBXCRYZAD-QGZVFWFLSA-N 473.578 2.953 30 10 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C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740844177 DXXLRZXCKVQJHA-MJGOQNOKSA-N 473.599 2.886 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740851402 VKESODXNEUCVHE-INIZCTEOSA-N 477.591 2.729 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1740956522 UKEHSSRDPMVPRL-HXUWFJFHSA-N 484.601 2.958 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)c1cc(OC)cc(OC)c1 1740962257 XIDPLTLPGGMIHV-UHFFFAOYSA-N 461.526 2.604 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C(=O)NC)CC1 1740963870 ZOQTXONRAIZVGB-UHFFFAOYSA-N 468.602 2.554 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1740966620 OALBUPNBMJQAFB-UHFFFAOYSA-N 484.626 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740985052 ASFVTVDNNJLISQ-MRXNPFEDSA-N 465.645 2.853 30 10 JFEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)C1 1741080384 DCBXXXMMSBISEI-CYFREDJKSA-N 480.594 2.803 30 10 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OZVKCPKAULGGIS-UHFFFAOYSA-N 485.658 2.655 30 10 JFEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)COC)CC1 1748738853 RGIBFHWARBXCTA-UHFFFAOYSA-N 464.339 2.555 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C2CC2)CC1 1748788773 DRFLHAAPRIEXPB-HXUWFJFHSA-N 458.607 2.530 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748818324 AIRNBLXSAPCCNP-OFNKIYASSA-N 488.610 2.604 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1748842585 NHQRZRUUNPRBSV-UHFFFAOYSA-N 485.523 2.922 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1748842885 VZNDRAGJHCNHBT-UHFFFAOYSA-N 458.551 2.517 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)COCC2 1748857965 HXISRKAQCNEUFS-QHCPKHFHSA-N 491.592 2.780 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCC1 1748940925 SUVOBZHJEMTHDG-UHFFFAOYSA-N 466.561 2.696 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1749019198 OJCIAQSCBQHWOZ-JOCHJYFZSA-N 481.597 2.941 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749027788 VHUVIVIGXMVGSD-UHFFFAOYSA-N 475.062 2.955 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749047239 ROAFPFVTCWHNAE-NRFANRHFSA-N 455.628 2.690 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749103404 VKEYGJMYONGERS-KURKYZTESA-N 454.413 2.628 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1749109635 UDRXNYGRVNCYPS-UHFFFAOYSA-N 482.390 2.642 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749175299 CYGQPMCRBSZRHU-UHFFFAOYSA-N 479.585 2.918 30 10 JFEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749214297 WWSHPABGXRAAGN-HSZRJFAPSA-N 494.640 2.684 30 10 JFEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749281383 AQFOMGPDJPNUIN-OAHLLOKOSA-N 476.990 2.804 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749655389 JRHZXMGPXHWALX-UHFFFAOYSA-N 467.961 2.631 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1749719138 OLARPSSZPUBNSZ-QFIPXVFZSA-N 466.586 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749723914 DMMPSVOEATZRSQ-HXUWFJFHSA-N 468.627 2.911 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)CC1 1749724109 HJNDRBZGDMXYQT-UHFFFAOYSA-N 483.516 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1749736028 YKASMGWMKOVZET-UHFFFAOYSA-N 469.652 2.961 30 10 JFEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749746651 KMYTYVRQMXYYNI-UHFFFAOYSA-N 493.475 2.837 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760124243 QJGAGKLXXXPWEU-XUVXKRRUSA-N 487.626 2.528 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 1760138404 XWNLAYOXPSCINJ-LEWJYISDSA-N 475.590 2.895 30 10 JFEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760157025 BIDVJPHZJWATGY-DNQXCXABSA-N 492.668 2.940 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1760170591 IQRXXKLBZYMBHQ-UHFFFAOYSA-N 464.570 2.578 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1760184539 JJYOWBNTFCHHBH-LJQANCHMSA-N 455.609 2.888 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760185710 BRBIAGBEYULIKT-IBGZPJMESA-N 455.609 2.617 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1760185738 CHNUEETYPPWIHV-IBGZPJMESA-N 472.611 2.507 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1760268362 IMJYNKYXRDGNNZ-UHFFFAOYSA-N 472.593 2.890 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1760268678 VQXKAYNWMHSHKP-JOCHJYFZSA-N 464.545 2.776 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1760294210 QRVOWYSXRPJFHJ-HOYKHHGWSA-N 456.591 2.687 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC2CCCC2)CC1 1760315336 DCIQPJNYGVMGGB-WFXMLNOXSA-N 481.663 2.798 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1760320981 ZYCAVSCGPGBPEY-LZJOCLMNSA-N 455.559 2.610 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1760353655 ADGGTQPVZCDXMR-OAHLLOKOSA-N 478.391 2.976 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760371081 ODDNLSBKLYCJJZ-LJQANCHMSA-N 480.444 2.977 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1760389317 IFAVNYAJYGKKQJ-MRXNPFEDSA-N 453.609 2.640 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1 1760482989 ZCHWNEZMVYQWRM-IBGZPJMESA-N 479.560 2.978 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760527141 ZROQNBNTIDMECB-AEFFLSMTSA-N 467.492 2.932 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NCC)CC1 1760560699 CGDQREHBJBRBOQ-UHFFFAOYSA-N 468.425 2.806 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1763682579 APOYGFIWEBYRQD-UHFFFAOYSA-N 466.586 2.633 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1765717048 CPUMQBJQOWWYBF-XLIONFOSSA-N 467.574 2.644 30 10 JFEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)C1 1765730473 BWUPRCSSQJETCM-QGZVFWFLSA-N 452.544 2.740 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862528487 XKAODOQTGSLXIH-LJQANCHMSA-N 489.322 2.878 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCCCO)cc1O 1862609908 XVSKZNGAZJDZLH-JOCHJYFZSA-N 469.490 2.913 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862746429 GCDVEHNVZJCZJF-NRFANRHFSA-N 451.479 2.895 30 10 JFEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868796370 UJTZYXGSTPKMBR-DHIUTWEWSA-N 479.650 2.526 30 10 JFEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1870107114 SVYIBRMIXCWPKF-UHFFFAOYSA-N 481.447 2.781 30 10 JFEE COc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc(I)cc2)cc1 1870160522 WRTXIOWIFJYJJU-UHFFFAOYSA-N 459.247 2.933 30 10 JFEE C#CCOc1cn(CCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870562108 RQACOXRCPMKCHW-UHFFFAOYSA-N 452.599 2.533 30 10 JFEE Cc1cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871421669 KFYJHQDPXBAHRV-GRSHGNNSSA-N 454.460 2.869 30 10 JFEE O=C(CSc1nncn1/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12)NCc1ccco1 1873505013 XJCZDQMALKRUEP-LIMNOBDPSA-N 458.887 2.995 30 10 JFEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3c[nH]c4ccccc34)CC2=O)cc1 1874199500 POBHNJLRRXQDSI-OJMOCAQPSA-N 489.561 2.748 30 10 JFEE COc1cc(-c2cc(C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)no2)cc(OC)c1OC 1890165249 CBPOKUOWJSHKCH-INIZCTEOSA-N 450.451 2.928 30 10 JFEE O=C1O[C@@H](CNS(=O)(=O)c2c(F)cccc2F)CN1c1c(F)c(F)c(F)c(F)c1F 1891500185 TZCFUBIGKSRZJO-LURJTMIESA-N 458.311 2.964 30 10 JFEE COc1cc(C=CC(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCC#N 2042434695 SJSGUAVJYVJULF-SFHVURJKSA-N 490.516 2.979 30 10 JFEE C#CCN(CC(=O)Nc1cc(I)cc(C(=O)O)c1)C(=O)OC(C)(C)C 2059572920 UHOVCLFNMKMYIM-UHFFFAOYSA-N 458.252 2.798 30 10 JFEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2060381222 BKRLAAVRPDXRFH-DLBZAZTESA-N 453.580 2.560 30 10 JFEE N#Cc1cn(-c2cc(Br)c(I)c(Br)c2)c(=O)nc1O 2095450226 OMNBJECZNQPJBN-UHFFFAOYSA-N 496.884 2.939 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)N1CC(OCc2ccccc2)C1 2105648245 WATBCHOZMBHMHT-UHFFFAOYSA-N 458.389 2.852 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2255825940 ICMRLKBHKODZDJ-CQSZACIVSA-N 451.398 2.880 30 10 JFEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255838573 IBZPBHPACIGZSU-HIFRSBDPSA-N 451.398 2.818 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 2255867279 AEJNXBABXCYUFY-VWLOTQADSA-N 467.375 2.855 30 10 JFEE C[C@@H](NC(=O)C1CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2256622340 GDAVPOSECORAKA-IYXRBSQSSA-N 451.398 2.923 30 10 JFEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267279912 KUEQZZWKMCKHNT-JGCGQSQUSA-N 468.381 2.684 30 10 JFEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267372966 WSUNUEJNZURFFT-ROUUACIJSA-N 474.457 2.846 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267472203 ZMJLDCQKPHYGFT-UONOGXRCSA-N 490.428 2.673 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267480116 UYTLASKIKFTOJR-PEBXRYMYSA-N 463.409 2.962 30 10 JFEE Cc1sc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2267577128 CHKQXEZKNMDTRJ-OAHLLOKOSA-N 468.425 2.622 30 10 JFEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267586423 KCJXSWCAKHMZPH-JOCHJYFZSA-N 466.409 2.803 30 10 JFEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2268720412 VEUOVLGSWYPNNU-AWEZNQCLSA-N 466.409 2.860 30 10 JFEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1 2281227914 JIFKWGUVTWWPMM-DRCDNIGYSA-N 465.472 2.930 30 10 JFEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1 2281823942 HUNJWEUVRZKYGJ-RBUKOAKNSA-N 458.364 2.828 30 10 JFEE Cc1cc(C(=O)NC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2281994131 LKSZXTANIVQHGQ-UAGQMJEPSA-N 480.436 2.750 30 10 JFEE Cc1cc(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282001772 GLFUTIWGCPNNLT-RKTXRCNFSA-N 478.420 2.766 30 10 JFEE CCc1nc(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2282015090 USIIQSXVVQPFCJ-PSLXWICFSA-N 477.436 2.992 30 10 JFEE CCn1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282045255 ZKYTVSCMLNVVKR-IBGZPJMESA-N 452.408 2.796 30 10 JFEE CCn1cc(C(=O)N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282045729 ARDJUBZVOKAXRY-INIZCTEOSA-N 462.400 2.722 30 10 JFEE CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188076 QTFVCGYQOFWHRM-UHFFFAOYSA-N 450.392 2.760 30 10 JFEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282421848 UABPQUOJBVTHIU-XUJVJEKNSA-N 496.382 2.513 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282497570 RKSHQTZZLZXCRE-AWEZNQCLSA-N 488.362 2.552 30 10 JFEE CC1(C)OB(c2cc(F)c(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2282568124 XUNNICJLSFGOPW-LJQANCHMSA-N 462.224 2.547 30 10 JFEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2282577723 IPNDHRGNPBHGSA-CABCVRRESA-N 481.424 2.553 30 10 JFEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282578325 QEZPPGWOXKDKQQ-FQEVSTJZSA-N 494.401 2.640 30 10 JFEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2282588144 DKETXVPOJPSHBE-MRXNPFEDSA-N 462.400 2.547 30 10 JFEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cn1 2282677436 YYNKHNTZSFBINK-UHFFFAOYSA-N 456.352 2.959 30 10 JFEE CC(C)(C)OC(=O)N[C@](C)(CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CCC1 2282700368 PUJCLEQANHTBLH-HSZRJFAPSA-N 460.384 2.589 30 10 JFEE CC(C)(C)OC(=O)N1CC(N(C2CC2)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282857697 LPRADVNOKGGZSN-UHFFFAOYSA-N 478.420 2.758 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282934536 SVJXGXOIWKBQQM-WMLDXEAASA-N 463.340 2.846 30 10 JFEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282972894 VOKXHIWBVINCLI-AWEZNQCLSA-N 464.368 2.820 30 10 JFEE CN(C[C@H]1CCCN(Cc2ccccc2)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283064623 WJRMAVHHBIMYDA-HXUWFJFHSA-N 450.392 2.760 30 10 JFEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C 2283961558 ABRGRJCLARVOBO-HSZRJFAPSA-N 480.436 2.768 30 10 JFEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283967143 ZIXBREMWVIBEQY-QFBILLFUSA-N 462.396 2.872 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 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O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)Nc1cccc([N+](=O)[O-])c1 58997465 LHYWATHDDDSGFP-QGMBQPNBSA-N 458.416 2.504 30 10 JFEE O=C1C[C@H](S/C(=N/c2ccccc2)NCCN2CCOCC2)C(=O)N1c1ccc(F)cc1 59489361 KWDZHWDFHYSYEA-FQEVSTJZSA-N 456.543 2.800 30 10 JFEE CC(C)(C)OC(=O)NC(=NC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C 95836217 SQZSZZZAVJXPOO-OAHLLOKOSA-N 480.518 2.771 30 10 JFEE N#C[C@H]1C(=O)Nc2nc(N3CCc4ccccc43)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCCO2 101429635 IREJIZMUUQGSCS-OXQOHEQNSA-N 455.474 2.849 30 10 JFEE CCOc1ccc([C@@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1 102485182 OHUZESIKMQNHRU-FOSWXRMZSA-N 490.560 2.795 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)cc1 849528265 QVPGCWPRUCKSDS-JOCHJYFZSA-N 472.611 2.997 30 10 JFEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cc(Cl)cc(Cl)c3O)n2N)cc1 1083897942 VQZRHTGNPCQFSP-UHFFFAOYSA-N 496.380 2.867 30 10 JFEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3Cl)n2N)c(OC)c1 1084236425 IJYFZLXLDQWYPH-UHFFFAOYSA-N 461.935 2.839 30 10 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C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1681226308 DUVPVHAUSXSWKV-NCOADZHNSA-N 451.568 2.785 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCCC1 1689850798 HPSCYWIFZPBVBH-KNQAVFIVSA-N 455.628 2.672 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689981851 CHMJCVDKOKDIJQ-GOSISDBHSA-N 493.427 2.639 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689993267 ZOKUUFNJITWRJW-HSZRJFAPSA-N 469.655 2.680 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cc(C)nn1C 1690009266 ZROUPTJXYPUKPX-UHFFFAOYSA-N 453.344 2.879 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1690045233 HDNQPYHGGQQYPS-HSZRJFAPSA-N 455.566 2.602 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccc(C)c1 1690076911 DMASOGKSBWCYIA-UHFFFAOYSA-N 472.597 2.650 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2occc2C)CC1 1690114931 LXHSWNKYOZSPLI-UHFFFAOYSA-N 451.527 2.676 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1690134880 JALJLOVNWCVBME-KJJMTIBFSA-N 484.645 2.785 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCC2(C)C)CC1 1690154166 JNEHKOCNHPESOQ-ACRUOGEOSA-N 457.619 2.794 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690238163 GBUKUZUZPUSRLO-FVJLSDCUSA-N 485.585 2.619 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690302905 NUXVJMAPMJTZKI-ZBFHGGJFSA-N 454.369 2.869 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690681453 QGSVIMSKWINDBD-FXAWDEMLSA-N 466.586 2.524 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1690691208 AITCDJWHOLWNIE-GOTSBHOMSA-N 477.613 2.541 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCCS2(=O)=O)C1 1690691668 JTNGMFOOLQHDTO-MRXNPFEDSA-N 496.431 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1Cc2cccc(Br)c2C1 1690724258 KZYWHSQGOUWKNX-HNNXBMFYSA-N 467.389 2.666 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCO[C@@H](C)C1 1692538461 FIVQJQZCGIAPLX-CUWPLCDZSA-N 452.559 2.681 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1693033869 ICBDFENLAFNGBL-GBXCKJPGSA-N 486.642 2.886 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(Br)cn2)C1 1696929665 HHSBMCMWIXJJFF-JOCHJYFZSA-N 497.401 2.828 30 10 JFEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(OCC(N)=O)CC1 1705510206 VLQTYSYWRFGQSE-UHFFFAOYSA-N 490.402 2.990 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1705523190 MHMSBPXSPRTLFL-HXUWFJFHSA-N 459.978 2.905 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)[C@H](C)CCC 1705549619 CAGCPOPVIMGTCU-GOSISDBHSA-N 463.586 2.858 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OCC(F)F 1705551899 FQLDZTVUQAKYTE-UHFFFAOYSA-N 468.512 2.609 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705568004 FJESBCYOGFZNRS-HXUWFJFHSA-N 488.564 2.558 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705572540 GEWANKIMZFXEGN-RLSLOFABSA-N 465.985 2.876 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1705596109 SLKLIKZAZRYXFQ-QFIPXVFZSA-N 499.619 2.786 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1705619663 YKKNDXFJYSHPMZ-RXVVDRJESA-N 490.649 2.788 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@]2(C)CN(C)C2=O)n1 1705631503 HQZOQRZAKFVLHB-DEOSSOPVSA-N 481.988 2.560 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(F)cc(OC)c2)CC1 1705634705 GLNMPJIADZZCFA-UHFFFAOYSA-N 487.377 2.997 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1705643040 QNDDMXHRUTUXED-XMMPIXPASA-N 466.630 2.741 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCO2)CC1 1705651191 NETZZXUGUZYBMX-QFIPXVFZSA-N 451.571 2.619 30 10 JFEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705663082 VWQDZZNPHGDSSM-PMACEKPBSA-N 487.743 2.995 30 10 JFEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1705690695 DUGNUOPVSOFZDJ-AWEZNQCLSA-N 452.328 2.867 30 10 JFEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1nncn1C 1705691226 CGPYTZWBNUCICE-CYBMUJFWSA-N 477.392 2.648 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NCC)CC1 1705696467 NXYLTWWWSPDGDS-UYAOXDASSA-N 469.546 2.686 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1705705109 CSRMUEJMCOVMTO-CTVDGRRTSA-N 486.661 2.903 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705726122 RNQBCGHVNLMYHG-DEOSSOPVSA-N 452.647 2.985 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1705787204 KXFOJPLVJUNZGA-UHFFFAOYSA-N 458.636 2.993 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705859772 FUSNDBSFRFOYDB-FGZHOGPDSA-N 484.626 2.865 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705878658 WJWOHJQOIONIOJ-LJQANCHMSA-N 496.534 2.605 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC2CCCCC2)CC1 1705900066 OUHMZFHMXIMERE-UHFFFAOYSA-N 452.603 2.958 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1705931217 JHJONCXYCSFNPJ-SFHVURJKSA-N 480.656 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705937265 ONXPLPOIZZGUAX-UHFFFAOYSA-N 471.627 2.773 30 10 JFEE C=CCSCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1705950166 TZOYZVQPRWFNLC-QFIPXVFZSA-N 462.595 2.710 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1706516576 DWNVYFNXLYNAKP-ROUUACIJSA-N 462.957 2.823 30 10 JFEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)c1ccco1 1706902463 BNAHUYPMVPOSGV-YKSBVNFPSA-N 499.593 2.633 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1722302921 MBQSPNOTWACLIG-INIZCTEOSA-N 459.522 2.748 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC(=O)NCC(F)(F)F)c1 1722305214 NLPPVQHFKLYBCN-AWEZNQCLSA-N 450.465 2.526 30 10 JFEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722320260 UWSJQLFSPLSEHR-OALUTQOASA-N 458.607 2.863 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1722366052 OFUQZGJURBQGOH-IBGZPJMESA-N 462.591 2.697 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1722372027 OGPNYGRFYFIFMY-JOCHJYFZSA-N 496.637 2.765 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2c(CC)nn(C)c2OC)CC1 1722441383 LYTMBPXFECRBQJ-UHFFFAOYSA-N 495.653 2.687 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(COCC)cc2)CC1 1722449616 WGDQJGDYTWFKMD-UHFFFAOYSA-N 472.593 2.815 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722455774 VVCXGCAJVIWHBH-IBGZPJMESA-N 454.556 2.811 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722467301 QAISXMKRCLXRBS-PDSXEYIOSA-N 462.645 2.510 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722487166 LHBZMZAQJSSTBS-AWEZNQCLSA-N 466.409 2.583 30 10 JFEE C=C(Br)Cn1c(N2CCc3c(ccnc3O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722490290 ZFFDBVHOSMGELA-HXUWFJFHSA-N 464.364 2.891 30 10 JFEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)NC(C)C)CC1 1722583002 OKYAZWBUKLABHX-UHFFFAOYSA-N 453.559 2.877 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1722588348 QSPWGAVAKHKTJC-LJQANCHMSA-N 488.633 3.000 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722628186 YQDYXOITKHFCAY-NRFANRHFSA-N 453.595 2.782 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722701778 DAQFOCAAZLGTES-UHFFFAOYSA-N 495.628 2.502 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 1722704261 FFFSCYBICBLQED-RTWAWAEBSA-N 489.642 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722731513 MPAXMAAMAMZVRL-IEBWSBKVSA-N 464.563 2.602 30 10 JFEE C[C@H](CN1CCCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1723870535 GMFDLNMTLVPJSC-TZIWHRDSSA-N 465.602 2.552 30 10 JFEE CCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCC1 1727963142 ANLUFHVXJKZPPD-SFHVURJKSA-N 465.606 2.763 30 10 JFEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1728257444 GTNNAAPOHSYIHF-UHFFFAOYSA-N 467.574 2.600 30 10 JFEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)ccn1 1729252924 AAXYOJSBZQSTEQ-IBGZPJMESA-N 498.634 2.907 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)C[C@@H]1C 1730788582 HCCCORBIMNYVOO-UGKGYDQZSA-N 463.586 2.870 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)Nc1ccc(F)cc1 1740552498 YSMCGJVGSAJADG-APWZRJJASA-N 486.548 2.822 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCC[C@H](O)C2)c1 1740564573 RDDZOVCBJVRIAH-GMAHTHKFSA-N 458.566 2.871 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740617110 MCHROCLZMPAUFR-LEWJYISDSA-N 486.638 2.967 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1740622137 VGMYIQAGWNLHMM-NRFANRHFSA-N 480.594 2.589 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1740622284 WTYZFWJNAXWCBQ-CTNGQTDRSA-N 465.579 2.743 30 10 JFEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1740623468 UTZNSQRTBJTMMU-SFHVURJKSA-N 482.610 2.519 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1740680833 OZZWMEFVWGSHPH-ZJSXRUAMSA-N 472.611 2.640 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1C[C@@H](C)O[C@H](C)C1 1740684040 VBZJXGYAEBDHJL-QZTJIDSGSA-N 474.631 2.528 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1740697288 YQDOVWCZNMGDFP-HXUWFJFHSA-N 482.629 2.888 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCSC2)CC1 1740703133 HJGAJCWFQSUKNV-HNNXBMFYSA-N 491.459 2.765 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCC(C)(C)C2)CC1 1740706838 FRGDDDBCVJSOQA-UHFFFAOYSA-N 483.686 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(F)cn2)CC1 1740707194 STSUNUMDDDBLDY-UHFFFAOYSA-N 450.493 2.556 30 10 JFEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1740744687 FCYSWSFXLQKRFJ-CABCVRRESA-N 450.385 2.889 30 10 JFEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 1740788701 VSKDRFYKTRVINM-MRXNPFEDSA-N 468.649 2.630 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740795247 QTHQDUUXKIWQBA-LJQANCHMSA-N 490.605 2.626 30 10 JFEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740889665 HIQPPHTYWFBXGQ-HXUWFJFHSA-N 475.615 2.542 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740913257 BGTFKAVAECORPZ-UXHICEINSA-N 460.600 2.808 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1740918545 RAORRYIBVLYVKR-UHFFFAOYSA-N 459.598 2.621 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740953456 GUMZZERGAJOQMF-IEBWSBKVSA-N 457.600 2.667 30 10 JFEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1747534465 BPDUZTMSXFAVNM-UHFFFAOYSA-N 477.613 2.914 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CC[C@H](F)C2)c1 1748694219 AXRXMMFUGXITTR-OALUTQOASA-N 452.534 2.595 30 10 JFEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1748710667 XIGJFJWLKALVNL-UHFFFAOYSA-N 470.471 2.832 30 10 JFEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748739556 HEEVBUNYPYJONY-UHFFFAOYSA-N 485.430 2.865 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1748760846 HWIOIZXSHZVNBK-INIZCTEOSA-N 465.476 2.784 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1c(CC)nn(C)c1OC 1748790701 KWDPUGKIABLCAN-UHFFFAOYSA-N 471.606 2.815 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1748808229 BTIJWNPVVOLCKM-INIZCTEOSA-N 493.427 2.639 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1748823955 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1585924945 MYZFEZRLCRXFDG-UHFFFAOYSA-N 455.356 2.725 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 1586777020 BBKGONJQJFCOKU-AWEZNQCLSA-N 458.374 2.662 30 10 JFEE C#CCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1587838112 QDEVAGVECKKXCZ-AUSIDOKSSA-N 452.578 2.877 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 1588028918 AQUJUOPVJGOQHD-OALUTQOASA-N 473.618 2.868 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064624 LQPNMOCWAVHDEO-DWLFOUALSA-N 491.683 2.712 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1588193489 FCSUGUZVOPXUBT-SFTDATJTSA-N 467.639 2.932 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCC(C)C)CC1 1588899796 WPXAJIUIKFHARK-AREMUKBSSA-N 462.598 2.970 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1588962086 SYPZJJUTZMZFAO-NQIIRXRSSA-N 469.561 2.513 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCS(C)(=O)=O 1589556207 AXFAXQNHQYOVDP-KNQAVFIVSA-N 457.600 2.743 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 1593711501 DUBUJZBMTQOTNB-UHFFFAOYSA-N 478.391 2.595 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593718031 OBYYRSBLEOJLKI-UHFFFAOYSA-N 453.996 2.663 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1595442576 ULCLKVGRJBIDEP-MRXNPFEDSA-N 453.996 2.804 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1595447194 SINOEUDXGDBXMH-UHFFFAOYSA-N 465.558 2.875 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2cnnn2)C1 1595700396 NQCULXFJMCVWPK-HNNXBMFYSA-N 477.342 2.705 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)(C)C)CC1 1595777005 GYSJQYYEFFPHJE-UHFFFAOYSA-N 456.616 2.728 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)CC1 1613441074 CBSXRCBVJJKMJV-KNQAVFIVSA-N 463.586 2.546 30 10 JFEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613674639 BQRDEPCURMJLMA-UHFFFAOYSA-N 486.580 2.873 30 10 JFEE N#Cc1cccc(-c2nnc(N3CC[C@H](N4CCCCC4)C3)n2CC(=O)NCC(F)(F)F)c1 1620348790 HATRDSJYVYSHKR-SFHVURJKSA-N 461.492 2.560 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C 1632227987 JLCUCSPJDXKGMG-UHFFFAOYSA-N 456.543 2.694 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)c1 1633384438 RNQWKNMKOLHVRF-NRFANRHFSA-N 454.548 2.679 30 10 JFEE COc1ccc(CN(CC2CC2)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 1633959659 FNQWUBQMBNNPIC-MRXNPFEDSA-N 457.552 2.681 30 10 JFEE C=C1CN(c2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[N+](=O)[O-])C1 1642922472 WOYYUAUAPIJPMB-UHFFFAOYSA-N 455.496 2.570 30 10 JFEE CC(=O)N(C)CC(=O)N(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F 1651700190 UBOOZVDOPODSFB-UHFFFAOYSA-N 454.261 2.637 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)n(-c2cccc(F)c2)c1C 1658670450 GCASAICODSMXPJ-HSZRJFAPSA-N 458.559 2.944 30 10 JFEE CC(C)(C)c1nnc(NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 1659328822 FXNMKGSXTCFWBO-UHFFFAOYSA-N 450.572 2.858 30 10 JFEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 1662170518 HLFWAWXIPWBKDG-BJZITVGISA-N 458.374 2.589 30 10 JFEE C=CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)c1ccncc1 1679335023 PSUJKKOAGSLQIS-INIZCTEOSA-N 454.474 2.832 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)C(C)C)c1 1689872336 VKHSTXWPXKZMCL-NRFANRHFSA-N 466.586 2.738 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689993251 ZFOJSAUKJQJFKA-IBGZPJMESA-N 459.616 2.724 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689995786 ACEXRQUSYAHDNN-IBGZPJMESA-N 485.635 2.745 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1690072862 XCHHXZNQIQZZAT-FQEVSTJZSA-N 475.597 2.783 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690133445 HETKKNNXUXGLDY-HSZRJFAPSA-N 487.048 2.623 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1690597352 RFLMOHFSKJUXQN-NRFANRHFSA-N 471.583 2.892 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690637713 GVBHSZIPXAETJB-UHFFFAOYSA-N 493.387 2.534 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CNC(C)=O)CC1 1690663847 GCLSNEZPBYJXAM-UHFFFAOYSA-N 465.385 2.907 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1690668874 MKFKPRDBJWUETG-UHFFFAOYSA-N 469.590 2.786 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1690694471 PFLZBDJFNAHMLT-AEFFLSMTSA-N 454.497 2.708 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC(C)(C)C1 1690715084 CFTZFRRAWCYAHO-MRXNPFEDSA-N 452.552 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1690724127 IMOTUPDPUIHPFX-VQTJNVASSA-N 464.563 2.838 30 10 JFEE CC[C@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1694836824 DCXIKOWCZVPIJW-VQTJNVASSA-N 450.591 2.836 30 10 JFEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1698028135 CSMDYAUGTSQMBS-LJQANCHMSA-N 483.617 2.841 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(F)(F)F)c1 1705492838 XVTOGRZJGVSLJE-HOCLYGCPSA-N 456.490 2.628 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1705516604 FQKMYIRECQJTJI-HXUWFJFHSA-N 476.046 2.959 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705526995 TVMQKKLZQKHHIK-UHFFFAOYSA-N 487.564 2.978 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cn(CCCC)nc1C 1705547932 VGDSEPKMTYWLOQ-UHFFFAOYSA-N 468.631 2.969 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1705562933 MZXVGWFNOWQNFJ-IRXDYDNUSA-N 499.406 2.627 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1705566177 LWGVHLZQGONOBH-IBGZPJMESA-N 469.611 2.880 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nc(C(F)(F)F)cs1 1705621445 DBWNCAGRDDZCLR-UHFFFAOYSA-N 479.488 2.729 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2CCOCC2)CC1 1705636679 UDNBCTXWFXHTAP-UHFFFAOYSA-N 453.587 2.923 30 10 JFEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705727285 SUPVZDALSGHKRG-UYAOXDASSA-N 452.559 2.672 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1705737448 RBZFBDQOMURQFO-FHWLQOOXSA-N 463.579 2.547 30 10 JFEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705737885 DRVAFHSUCQQRAL-UHFFFAOYSA-N 472.659 2.658 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1705884341 MEVMFUSSZYAJDU-SFHVURJKSA-N 455.559 2.617 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705897365 LHZNRCSVTZPSNB-FPOVZHCZSA-N 463.586 2.514 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC[C@@](C)(C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1705910567 GFONLSHMHATBBM-RPBOFIJWSA-N 469.586 2.634 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705915255 BWAPHQFQTZTZCS-IEBWSBKVSA-N 497.568 2.752 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@](C)(CC)C1 1705930962 AHSHKAFORJWVHV-IBGZPJMESA-N 486.436 2.652 30 10 JFEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1706189209 AECUBHAWASTYBA-ZQHDKMAOSA-N 451.980 2.786 30 10 JFEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1707792937 HJHHCOMBXWCNOG-KDURUIRLSA-N 460.586 2.703 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1710002795 GUAWWRXFHBBKRW-XMMPIXPASA-N 451.575 2.970 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cnc2c(Cl)cnn2c1 1722298456 CCKKFRMWLMJHIL-AWEZNQCLSA-N 468.974 2.666 30 10 JFEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722309494 BKPWQBHMCGTNKD-WBVHZDCISA-N 459.392 2.812 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722341990 PZOVCPSUNIOFNQ-HAGHYFMRSA-N 459.591 2.719 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1722342662 URBVPNRLACIDAC-UHFFFAOYSA-N 474.956 2.868 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCN1CCC 1722376182 LNGOFMRNTURJGN-NRFANRHFSA-N 481.670 2.884 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)NC(C)(C)C)CC1 1722440680 DMTMBFUJANHTKU-UHFFFAOYSA-N 454.644 2.939 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCOCC2)CC1 1722447156 IBCZSYYBTFKXBI-UHFFFAOYSA-N 457.525 2.540 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(CCCN2CCOCC2)CC1 1722486642 BXLHPEAFTDEVCN-UHFFFAOYSA-N 495.466 2.638 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1722491632 MIPIELGXPKYHJH-MDOVXXIYSA-N 481.569 2.710 30 10 JFEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722622796 UKDSBJDYULGKLH-HKUYNNGSSA-N 458.538 2.706 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1722633711 DNPXTOMOVCYQDY-SFHVURJKSA-N 455.481 2.848 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1722653875 FHTWMMAAARNDSX-QHCPKHFHSA-N 482.629 2.537 30 10 JFEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722690387 FJHXHHPOISFHIS-SFHVURJKSA-N 482.651 2.786 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1722692645 SJRRZPQYTJTFSM-SFHVURJKSA-N 470.578 2.682 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2(C)C)CC1 1722793675 CYSXYWLROJTKFY-LJQANCHMSA-N 454.600 2.929 30 10 JFEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1727873941 DPEJAKZVNWNTFG-HSZRJFAPSA-N 492.672 2.728 30 10 JFEE CO[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1729881263 DAORBSHVDJLLAP-JPYJTQIMSA-N 456.570 2.955 30 10 JFEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740572369 JFNZIPFJACSYRB-UHFFFAOYSA-N 459.598 2.755 30 10 JFEE C#CCCCCn1c(COCC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1740578523 BUICVKCMVYGFQS-JOCHJYFZSA-N 450.587 2.546 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CCOC)CC1 1740586556 FKXMDXJXCPNTND-UHFFFAOYSA-N 462.392 2.898 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1740590648 IWEOPOCVXUOABV-VXKWHMMOSA-N 487.626 2.765 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1740616970 JVOBXRCBTPLIOZ-XLIONFOSSA-N 460.600 2.758 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1740627210 ZDVKFGJDXJIRIZ-KRWDZBQOSA-N 478.565 2.591 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1740632585 MFDATELRZAQYGM-LAUBAEHRSA-N 458.360 2.837 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)nc(N2CCCC2)c1 1740641194 FQWLHJQVWVVKIX-UHFFFAOYSA-N 473.606 2.694 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCC[C@@H](C)C1 1740684411 QGJFZRGRNYRTOB-GOSISDBHSA-N 456.591 2.602 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1740701059 SOCPBGBJLLXSAS-RRPUWOKSSA-N 471.577 2.754 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)[C@@H](C)[C@@H](C)O3)CC1 1740708033 ZNTUQGMMOHKMFP-ZWKOTPCHSA-N 451.571 2.713 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740747307 DPOOJSAHZAXNNZ-IBGZPJMESA-N 489.422 2.767 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CNC(=O)C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1740765841 CYGHMYUEIAIIDX-CQAGSAPUSA-N 489.661 2.900 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740799606 PUKUHDDYVWSWCV-IPMKNSEASA-N 454.637 2.803 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740864472 NQSVXEWTOJDLIQ-GOSISDBHSA-N 464.661 2.624 30 10 JFEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1740906712 KRKSBCXZSHKPBY-LBPRGKRZSA-N 465.377 2.912 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740919492 IDMNRLXHVYFUCF-MBSDFSHPSA-N 478.590 2.697 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740951896 PVZXTDPUSLOYEK-WOJBJXKFSA-N 499.612 2.893 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740968528 JSIKVFLPXDNXMS-ICSRJNTNSA-N 478.553 2.779 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc2ccccc2[nH]1 1740985379 GPNNJRYXUKFHSK-UHFFFAOYSA-N 479.566 2.644 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740989906 ZXTFCGJDHBCGHT-SFHVURJKSA-N 456.572 2.696 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1746481301 GBWJZPOHHBINMZ-CJAUYULYSA-N 466.586 2.753 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1748685253 WXICNLIZSDHHPS-XLIONFOSSA-N 492.605 2.893 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cc(Cl)cn2)CC1 1749014768 NRHDCRPSLGEAEY-UHFFFAOYSA-N 487.942 2.663 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cccc(Br)c2C1 1749023804 XAIVAQRSRIQCAH-CQSZACIVSA-N 498.472 2.580 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](COC)C1 1749120594 GIUSHRRLDATFRL-VCOUNFBDSA-N 489.642 2.649 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749125603 VOUOLPVTWACINK-RBBKRZOGSA-N 489.642 2.701 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1749154444 TZJVGFPGSAIMTB-RUZDIDTESA-N 465.602 2.705 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749238927 DSSOSENQWJWGEP-LJQANCHMSA-N 458.494 2.858 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CCOCC2)CC1 1749287096 WSDLWRRSISBMGP-LJQANCHMSA-N 459.616 2.793 30 10 JFEE COC[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749317152 HEXBAPUMCWTGAQ-SFHVURJKSA-N 452.559 2.602 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1749493875 MWQXEQMDEOHLRC-INIZCTEOSA-N 466.583 2.733 30 10 JFEE C=CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749498932 NNRKYAISXJFTDQ-FPOVZHCZSA-N 459.616 2.726 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1Br)C1CC1 1749508044 HVQKQSAEEAGRBM-NSHDSACASA-N 460.423 2.915 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C 1749734283 HZCRKPOLLNFNFI-QGZVFWFLSA-N 467.636 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C 1749734934 OBXYMBLUHPYXPC-QGZVFWFLSA-N 483.635 2.566 30 10 JFEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1749810538 GOSGULLDZZSWNV-UHFFFAOYSA-N 491.596 2.535 30 10 JFEE C[C@@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1751156645 BYPBLGUSLWVIFJ-VQTJNVASSA-N 497.669 2.786 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760124448 IDCOFSHABVKSKG-DOIPELPJSA-N 458.651 2.597 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1760144973 FWDDZPJZTHKOFU-HOTGVXAUSA-N 480.660 2.634 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCN(c2ccncc2)CC1 1760167868 FXSVQBKUQHPRAD-UHFFFAOYSA-N 475.597 2.639 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1760208528 VDKRAAWTPRANPC-NRFANRHFSA-N 484.645 2.658 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2c(C)coc2C)n1 1760253370 XXCQYYCDQLRNSI-HXUWFJFHSA-N 452.559 2.913 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C)c2ccccc2)CC1 1760271337 UYHIEIUAVNTDMY-UHFFFAOYSA-N 488.640 2.632 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1760284266 ISLARKJIJACAMR-OAQYLSRUSA-N 453.612 2.907 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1760300559 HWEQLMHLRMWLAN-OAHLLOKOSA-N 491.415 2.962 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760319806 URFYZFRIPHRINC-NZQKXSOJSA-N 470.618 2.818 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCOC 1760335697 PPUTWSKZOKBFRO-LAUBAEHRSA-N 452.559 2.646 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760351630 KCPQCRBCEMGPDI-UHFFFAOYSA-N 498.447 2.818 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1760375189 HEZHTRYCRUGKAM-INIZCTEOSA-N 468.002 2.607 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCN2CCCO)CC1 1760381450 MYYAYMDPRXKFGV-OAQYLSRUSA-N 473.021 2.865 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760406428 CTLYRDDKUCRFBW-AEFFLSMTSA-N 487.004 2.821 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1760440917 SZFYHBCACWNGPI-RTWAWAEBSA-N 490.649 2.711 30 10 JFEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760441228 AYCGKZYHJQSCJX-HXUWFJFHSA-N 451.619 2.799 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760525715 OKXDHHCMTJFBAV-UHFFFAOYSA-N 490.637 2.520 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](OC)C(C)C)C1 1760545281 RGKJNWAMQUPQNT-FXAWDEMLSA-N 452.559 2.644 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760554008 OICVYBFKCZHQJM-ROUUACIJSA-N 484.626 2.808 30 10 JFEE CC(=O)N1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1760614958 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2.661 30 10 JFEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874433906 CTWSUSPWBQXUIT-BRJLIKDPSA-N 467.551 2.949 30 10 JFEE CCOc1c(Br)cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc1OC 1874444636 HQRGFFMMWCNZNY-UWPAOYMWSA-N 484.376 2.759 30 10 JFEE COCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(OC)c(OC)c1 1874473198 RQMYYHUKEPEWLL-OEAKJJBVSA-N 461.588 2.907 30 10 JFEE CCCN(CCC)C(=O)CSc1nnc(COC)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874502757 YBUIGGQTDCBPPP-WSDLNYQXSA-N 465.576 2.770 30 10 JFEE CN(C(=O)c1ccc(Br)cc1OC(F)(F)F)C1CN(c2nccnc2C#N)C1 1890469508 BDCJNUWQKAMGAB-UHFFFAOYSA-N 456.222 2.970 30 10 JFEE C#CCOC1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)C1 1892046735 VZXZQZYLIUNYDS-UHFFFAOYSA-N 452.454 2.658 30 10 JFEE CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)SC1=[S+]C2=CCC=CC2=N1)C1=CS[C@@H](N)N1 2059972204 UHCVUFXJGOUXPZ-KRWDZBQOSA-N 481.645 2.628 30 10 JFEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180967119 SOYZMCSQHRQPDZ-XIRDDKMYSA-N 458.368 2.892 30 10 JFEE 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COC1CC(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(N(C)C(=O)OC(C)(C)C)C1 2284057832 FDIHITBWVQMRQB-UHFFFAOYSA-N 461.368 2.734 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)[C@@H]1CCOC1 2284059447 TYNFYTOBJVHLEU-RDTXWAMCSA-N 464.343 2.993 30 10 JFEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2284059772 VYEXLYZNOYLQNU-QGZVFWFLSA-N 462.352 2.689 30 10 JFEE Cc1nc(NC(=O)[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)ncc1B1OC(C)(C)C(C)(C)O1 2284063077 KWSGJZYIJYVAPD-WNSKOXEYSA-N 458.368 2.670 30 10 JFEE Cc1ccc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1B1OC(C)(C)C(C)(C)O1 2296178280 LANXWUQBNCHPGL-LJQANCHMSA-N 460.380 2.546 30 10 JFEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1cccc(F)c1 2296622730 NCVQCYXEMACLTF-HXUWFJFHSA-N 453.470 2.644 30 10 JFEE CCCn1c(N2CCOCC2)c(C=C2SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 2314461432 KSTSXQPQXHSNGC-UHFFFAOYSA-N 476.624 2.513 30 10 JFEE C=CCC1(N[C@]2(C(=O)O)CCC23CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2325132077 GCFWECRJQLPKQV-QHCPKHFHSA-N 451.564 2.996 30 10 JFEE CC(C)COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1C(=O)O 2329049240 RLHVLVSJKBPBQO-QGZVFWFLSA-N 487.582 2.874 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1[C@@H]2C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2334388346 POZPPWWZDLGVEC-GRDNDAEWSA-N 463.409 2.704 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2341167760 ORVRTEYHMSRFOM-SOUVJXGZSA-N 484.449 2.724 30 10 JFEE CN(C)C[C@@H](CN(C)C(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345675692 YNPOWNLLFYAICN-HNNXBMFYSA-N 453.364 2.696 30 10 JFEE CC#CCN(CC(=O)O)C(=O)Nc1ccc(Br)c(I)c1 2363052046 ILTBFWOOHURAIN-UHFFFAOYSA-N 451.058 2.996 30 10 JFEE C=CC1(N[C@@]2(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@]3(CCCO3)C2)CN(C(=O)OC(C)(C)C)C1 2377245768 NJIGMSISMAVCRB-BJKOFHAPSA-N 481.590 2.765 30 10 JFEE COc1cc(/C=N/Nc2nnc(SCCC(=O)Nc3cccc(C)c3)n2N)cc(OC)c1OC 20919988 RAOGPVGGBXRADS-ZMOGYAJESA-N 485.570 2.893 30 10 JFEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](O)COC 245280419 PPKQUPLSCGXPOW-PGRDOPGGSA-N 460.596 2.757 30 10 JFEE N#Cc1ccc(CN(CCN2CCOCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 586124918 ZYWMMNUCFTZHSF-UHFFFAOYSA-N 464.385 2.844 30 10 JFEE C=CCOc1cc(NCC(=O)NCCc2ccc(OCC)c(OCC)c2)ccc1-n1cnnn1 586322324 CDIHDXLROMFTQA-UHFFFAOYSA-N 466.542 2.795 30 10 JFEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(OC(=O)CC)cc3)N2N1 588226893 MEEXVMFYPXITFW-HXUWFJFHSA-N 499.390 2.827 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3ccc(F)cc3C(=O)OC)nnc12 728987130 XLFCOPFFJHDREM-UHFFFAOYSA-N 482.493 2.991 30 10 JFEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](COC)C(=O)O 757203778 ACABPHBMNKJYFU-FGZHOGPDSA-N 450.491 2.523 30 10 JFEE C=C(Br)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 921044649 WUTSZIFRAADVRQ-ZDUSSCGKSA-N 452.168 2.627 30 10 JFEE C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](OC(=O)CCC(=O)N[C@@H](CO)C(=O)O)CC[C@H]12 1076217599 WTEHIYJRQNEEGH-ZDHOYBIYSA-N 475.582 2.772 30 10 JFEE COc1ccccc1NC(=O)CN1C(=O)C(=NNC(=S)NCc2ccco2)c2ccccc21 1080436641 MPRXYPBEZLGCAP-UHFFFAOYSA-N 463.519 2.642 30 10 JFEE Nn1c(NN=C/C=C\c2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084223315 AMUJFPIYGSLQKP-OZYYYOMESA-N 451.512 2.605 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)cc1 1156073830 JHMFWSLADFVPOH-LJQANCHMSA-N 451.589 2.964 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C2CC2)c1 1177795838 QAPSLJBMJIXLFW-QHCPKHFHSA-N 454.548 2.765 30 10 JFEE Cc1cc(S(=O)(=O)NCc2ccc(Br)cc2N2CCOCC2)ccc1C#N 1188062485 FBEMMLDBGUCESB-UHFFFAOYSA-N 450.358 2.944 30 10 JFEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 1211578710 APSOVCXWZCYMCD-UHFFFAOYSA-N 456.446 2.958 30 10 JFEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H]1CCOc2ccc(Br)cc21 1265209515 FONSNYJXMDVYEF-RDTXWAMCSA-N 457.328 2.521 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)Br 1286278089 AAMPLMLWGVYUSJ-CQSZACIVSA-N 452.378 2.562 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC(F)(F)CO2)c1 1286311818 QEFNSNIYNURVKW-MJGOQNOKSA-N 459.497 2.653 30 10 JFEE C#CCCCCn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@]1(OCC)CCOC1 1286336067 VCASZTMVBBERKZ-QHCPKHFHSA-N 458.632 2.821 30 10 JFEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1286354675 RMFGGMOSOQEZGH-UHFFFAOYSA-N 450.493 2.918 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CCCC2)CC1 1286481354 UKZCOPZDTKFULM-HXUWFJFHSA-N 458.607 2.532 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)N2CCC(OC)CC2)CC1 1286484047 GTDASUKBZBILAV-UHFFFAOYSA-N 496.656 2.510 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCS2)CC1 1286495254 YDSSGZWAHODNCZ-NRFANRHFSA-N 453.612 2.761 30 10 JFEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286505084 YOWDMLMRBGMRPN-HXUWFJFHSA-N 470.624 2.511 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286548113 LWFKPBJQDRNKOE-UFYCRDLUSA-N 497.482 2.515 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286604320 IFCGFMRJZYEYKD-LJQANCHMSA-N 490.626 2.716 30 10 JFEE C=CCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286700382 MGZLPHSBSWQVDD-FGTMMUONSA-N 467.636 2.569 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C(C)C)C1 1286782610 ZXJVDNPLRWIFRB-GOSISDBHSA-N 478.391 2.880 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1286818608 KXNODVRUKOVISW-UHFFFAOYSA-N 453.572 2.880 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1Cc2ccc(Br)cc2C1 1286820117 FLWFDJGPXOLEMG-HNNXBMFYSA-N 467.389 2.666 30 10 JFEE C[C@H]1CCCC[C@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1291085618 DRCBZZNPNCAMCP-PGRDOPGGSA-N 486.642 2.930 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC2CCN(CCN(C)C)CC2)c1 1300332236 AFYIJNSNIRRFFJ-UHFFFAOYSA-N 477.657 2.875 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300494967 AOPRWDICBSZBPN-PZJWPPBQSA-N 458.584 2.534 30 10 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30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1508148894 YGSUGCZYJQFSDQ-UVUJQTEASA-N 474.627 2.985 30 10 JFEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cn1 1515156024 CHYORMINRPLPJB-HXUWFJFHSA-N 466.567 2.672 30 10 JFEE CCO[C@@H](CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1516158353 GPDGFXQJZPSMJD-RXVVDRJESA-N 479.585 2.855 30 10 JFEE COC(=O)C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(OC)c(OC)c1 1524015569 CKKODAKYSGUQPB-IEBWSBKVSA-N 455.486 2.961 30 10 JFEE Cc1c(NC(=O)CSCC(=O)Nc2cc(F)cc(C#N)c2)c(=O)n(-c2ccccc2)n1C 1535371420 DRPZQPZNROWPNZ-UHFFFAOYSA-N 453.499 2.806 30 10 JFEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 1539068166 ONOQCLDNZRBKGV-UHFFFAOYSA-N 479.610 2.777 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1539068336 SXGMIYZLGTYQAQ-IBGZPJMESA-N 475.597 2.973 30 10 JFEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539077428 BKORULRZLAQLAA-HXUWFJFHSA-N 454.600 2.724 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)N1CCOCC1 1539263231 BQSRAISUQDLEJS-DHIUTWEWSA-N 498.672 2.822 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1539383486 DBWKMVHHIZCAMS-HJOGWXRNSA-N 467.614 2.844 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1539447082 NHJMCRJBNFPLDF-GOSISDBHSA-N 464.492 2.659 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1539454689 YCAURWRVUJIBRJ-QHCPKHFHSA-N 471.030 2.950 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1539520781 UHJXILGKBIMKPJ-MBSDFSHPSA-N 454.600 2.734 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1539615643 KKVDPTYYAJCAEQ-WEYGHZABSA-N 484.626 2.910 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539717558 HBWJNBGHRIJNDB-JOCHJYFZSA-N 484.645 2.673 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1540133982 MPTRNPPCQWEMJT-HNNXBMFYSA-N 458.519 2.733 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1540874316 BRRIYLJLXOCTEM-HXUWFJFHSA-N 495.584 2.860 30 10 JFEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1540916850 IEZINYSGGVAHLC-GOSISDBHSA-N 459.620 2.607 30 10 JFEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@](C)(O)C(C)C)o1 1542341312 DPDXXBDGYNXXJM-HJPURHCSSA-N 450.547 2.630 30 10 JFEE CCc1cnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)s1 1546326050 BCSAWMVVAACZKR-HNNXBMFYSA-N 473.628 2.658 30 10 JFEE CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1556571257 GGLZUDFLSWJKQF-UHFFFAOYSA-N 455.458 2.715 30 10 JFEE C#C[C@@H](NC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1 1563944114 JJXSEZWYALEXOO-GOSISDBHSA-N 451.342 2.905 30 10 JFEE C#C[C@@H](NC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)[C@H]1CCCO1 1564603415 NVJJWRJRWYPECY-LKCYJCQHSA-N 471.451 2.561 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOCCS(C)(=O)=O 1587568208 ONXLKIZAPLZQBE-SFHVURJKSA-N 469.611 2.872 30 10 JFEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1587739006 NUYSIIHDBHTEHT-QGZVFWFLSA-N 473.507 2.797 30 10 JFEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588058894 FCIVKDUHXAGFAI-CRAIPNDOSA-N 484.500 2.760 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1588069613 RFYVTICTAXWMGH-HSZRJFAPSA-N 483.682 2.812 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCS(=O)(=O)NC 1588186028 QCSKDLHSPYWJEP-UHFFFAOYSA-N 462.000 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1([S@](C)=O)CCC1 1588189930 ULYVXBDDNFSUEW-NDEPHWFRSA-N 462.417 2.810 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCOc1ncccc1F 1588581611 YCGKYJUSJQEYNV-UHFFFAOYSA-N 477.338 2.745 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ncnn2C(C)(C)C)CC1 1588779780 CNYVMXRVHIYZGB-UHFFFAOYSA-N 456.957 2.888 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCOc2ncccc2F)CC1 1588865396 WTDCSHPUPPTGAW-UHFFFAOYSA-N 464.545 2.842 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCC[C@H]2C)CC1 1588961660 HMSZWRLSKZEEGH-JOCHJYFZSA-N 462.642 2.904 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1589135420 ZFGDDERZVYEZTE-RTBURBONSA-N 455.632 2.680 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1589484707 VUUOEDCVUAOLGD-SBHAEUEKSA-N 466.586 2.830 30 10 JFEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@H](C)C1 1593763218 DNJSNVGFSYLOHN-DHIUTWEWSA-N 468.646 2.849 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(CC)S(C)(=O)=O)CC1 1594218640 NIXYXMQTFJYJHZ-UHFFFAOYSA-N 461.588 2.748 30 10 JFEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1595369512 IMJWHDJISNPPQB-QGZVFWFLSA-N 457.531 2.632 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSC2(CCOCC2)C1 1595405594 SCBAPKSGJMGGRM-KRWDZBQOSA-N 465.620 2.875 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2ccccc2)C1 1595489246 DRBYEKUGOJCOFS-GOSISDBHSA-N 471.359 2.916 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1595489386 FYUGBONTWHTACV-UHFFFAOYSA-N 486.989 2.607 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1595523031 NGGSNMXWJQECQI-UHFFFAOYSA-N 472.452 2.609 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncccc2C)C1 1595688896 QRQKWXIIQUBFQZ-IBGZPJMESA-N 453.568 2.882 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2cnnn2)C1 1595700397 NQCULXFJMCVWPK-OAHLLOKOSA-N 477.342 2.705 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2ncn(C)n2)C1 1595744084 JRTIQSLAOHFWEE-KRWDZBQOSA-N 474.363 2.578 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nnc(C)s2)C1 1595745820 WVDFLWDCLUAHAC-LJQANCHMSA-N 451.556 2.913 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](CC)C1 1595766830 YHYXVELYAUSXFK-CQSZACIVSA-N 456.410 2.883 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1595798556 QLNPBMLEMRILFB-UHFFFAOYSA-N 492.667 2.979 30 10 JFEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1595866811 XHJICYLALUWKCK-FQEVSTJZSA-N 471.675 2.726 30 10 JFEE CC(=O)N1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)CC1 1596134667 JFSWEJSTEJUDBT-HDICACEKSA-N 483.573 2.620 30 10 JFEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C(=O)OC(C)(C)C 1615651854 GUSWFEDCUYBQCY-SFHVURJKSA-N 480.635 2.567 30 10 JFEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCCO2)CC1 1615837574 FYYYMMFOOCYJDW-NZQKXSOJSA-N 451.619 2.848 30 10 JFEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C#N)c1 1617572098 AWIWVASGJKJPQS-QHCPKHFHSA-N 472.597 2.791 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1617868499 CUUYJFYZRNCAJS-LEWJYISDSA-N 470.643 2.809 30 10 JFEE Cn1ccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1 1618420093 FGAGZJOLNMQBHP-NRFANRHFSA-N 492.584 2.523 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1630469570 AZFLIUSAAPZOQM-NRFANRHFSA-N 452.555 2.688 30 10 JFEE C#CCN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 1638330719 BKFVFYRVIXUCKY-RBUKOAKNSA-N 459.568 2.552 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1 1638500955 WQNBLLUHGIXUBO-SCTDSRPQSA-N 450.482 2.987 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1649538309 QGEAMZRFINXRBR-ZBLYBZFDSA-N 481.641 2.782 30 10 JFEE COc1nc(N2CCN(C(=O)Nc3cc(C#N)c(F)cc3F)CC2)ncc1Br 1673966793 AQKMELHUTYFNHS-UHFFFAOYSA-N 453.247 2.752 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCNc2nccc(C(F)(F)F)n2)c1 1689872390 XKIBXWNEDRKJRP-UHFFFAOYSA-N 472.475 2.818 30 10 JFEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1689885377 GPWMVRQMHMYXJK-FQEVSTJZSA-N 481.626 2.700 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1689984339 NPEDFIDGDQEJKN-FQEVSTJZSA-N 454.552 2.668 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(COC)CCCCC1 1690013197 FKEKMQCZULWSRD-UHFFFAOYSA-N 468.627 2.908 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1690088793 XAIKEWWMLFNZPJ-LVXARBLLSA-N 485.604 2.818 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCC1 1690092611 OGRSRJVZMYDTGE-FPOVZHCZSA-N 490.601 2.748 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1OC 1690101122 OUTBBIIOUPNWHV-NQIIRXRSSA-N 464.570 2.576 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCN2CCC(O)CC2)CC1 1690111626 GKJHWPQDQFEWKU-HSZRJFAPSA-N 480.657 2.637 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1690132004 CTEYVHBSVFUXFX-HXUWFJFHSA-N 491.640 2.791 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCSC2)CC1 1690152499 NOMCNVIAFZAXQY-KRWDZBQOSA-N 457.575 2.715 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690248318 MQGYHQFAWZCYND-MDKPJZGXSA-N 450.580 2.859 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690276340 YUPAGDXCTZDNFL-UHFFFAOYSA-N 478.439 2.613 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1690581544 UDFBLKKFDKKODG-SFTDATJTSA-N 472.634 2.950 30 10 JFEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1690644701 FITOTSXUQOYVHZ-UHFFFAOYSA-N 466.630 2.834 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(OC)c1 1690661772 GRNLQHHCECEXFY-UHFFFAOYSA-N 459.348 2.983 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC[C@H]1C 1690665392 BOZATGMUQHQSDH-CYBMUJFWSA-N 466.405 2.960 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690682450 OWSXUABBTDAWCD-HXUWFJFHSA-N 482.585 2.899 30 10 JFEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CCN(C)CC1 1698361017 CTPKCBSBKJATKK-QGZVFWFLSA-N 476.672 2.513 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705559620 DHPDONIBIYFJPJ-KURKYZTESA-N 467.636 2.722 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705566320 MLGSSWLOBUADBO-PZJWPPBQSA-N 458.584 2.616 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705583799 LDBMMLVVCJXDQZ-HXUWFJFHSA-N 463.479 2.734 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2s1 1705597399 DTCVNDCDKDRWRL-NRFANRHFSA-N 497.646 2.531 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@@H]2CCCCS2(=O)=O)n1 1705632107 VSFQOKHJAUFDQV-QFIPXVFZSA-N 496.637 2.704 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1705642362 QRTFRFURKKXJCY-UHFFFAOYSA-N 495.031 2.886 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CCOCC)CC1 1705746949 BHUGMSHZEGCZSR-UHFFFAOYSA-N 467.401 2.773 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCS(=O)(=O)C1 1705877969 GFVARAREDXJBQD-QFIPXVFZSA-N 451.596 2.934 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 1705933953 XAGKPVMBSFLBHP-IBGZPJMESA-N 472.398 2.554 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1711045428 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473.647 2.679 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1722603632 KJZHSWNXTUFZMV-RZUBCFFCSA-N 479.691 2.862 30 10 JFEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722613215 AUCJNQCXASDWDX-IAGOWNOFSA-N 458.563 2.990 30 10 JFEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722614672 RRGZXXCGPJMWPW-GOSISDBHSA-N 463.586 2.899 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)o1 1722618763 VHMMWPAXPIHMCM-HNNXBMFYSA-N 488.408 2.569 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1722657136 SJRSUDILIGFHLC-FQEVSTJZSA-N 478.578 2.696 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1722714497 NTGCHDILKYZMGM-KRWDZBQOSA-N 451.618 2.675 30 10 JFEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1)N(C)C 1723246619 GSILGMBTBPJYRO-JOCHJYFZSA-N 461.618 2.853 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1726821084 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466.561 2.850 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(F)cccc2SC)CC1 1359028185 JUTGJGPLJAFDAY-UHFFFAOYSA-N 465.558 2.590 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2ncc(CC)s2)CC1 1359031975 WOZGJTHXFARMBC-UHFFFAOYSA-N 466.611 2.979 30 10 JFEE C=C(Br)Cn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359088699 RBEGSKVSXHHBMN-LAUBAEHRSA-N 484.439 2.920 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1359093490 OGZSOBKVGRBFSH-ZDWTUXFCSA-N 460.600 2.943 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1359208008 CPTPAXPWLHWSLZ-QGZVFWFLSA-N 473.603 2.631 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1359259728 GIBLVNBNKMQKDV-XMMPIXPASA-N 454.550 2.759 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1359289920 VDQBLMBQDAONGU-UHFFFAOYSA-N 482.629 2.965 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359293182 JSKHPENUVMHZGG-RCCFBDPRSA-N 460.376 2.729 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(C)CN(C)C2=O)C1 1359313737 QPMADDYWULHNOI-UWJYYQICSA-N 460.376 2.967 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2ccc(C(F)(F)F)cn2)C1 1359320013 KGVCXXNKFHXDAZ-SJORKVTESA-N 479.507 2.927 30 10 JFEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359340335 JYNSTSOANXAPJJ-HSZRJFAPSA-N 470.599 2.687 30 10 JFEE C[C@](O)(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1)C(F)(F)F 1360721739 CNWUKNVGBKRNDA-NRFANRHFSA-N 479.503 2.888 30 10 JFEE C=CC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)C(=O)OCC 1466783425 MWYZBXCNEDHGJP-FGZHOGPDSA-N 456.564 2.735 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1494852919 DDYHJRWQXMXUAO-RXFWQSSRSA-N 481.645 2.797 30 10 JFEE CSC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1505186596 BIBNXAACNBBVEF-HXUWFJFHSA-N 479.603 2.703 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1507521029 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466.615 2.766 30 10 JFEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc(C)cc1 1548369451 FEHAAKUFEFTNOZ-LJQANCHMSA-N 466.485 2.511 30 10 JFEE CN(C)C(=O)[C@@H]1CN(C(=O)c2ncccn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376941 NREUTAMNXSDWGN-IBGZPJMESA-N 486.498 2.814 30 10 JFEE COc1ccc(C[C@H](CO)CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1Br 1561575546 HIXFIGNRIQJZJA-KRWDZBQOSA-N 453.358 2.600 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1 1565633716 VHWWKUWVOICBHK-UHFFFAOYSA-N 459.999 2.990 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CCC 1587575559 XZYVCVKHCARERZ-HKUYNNGSSA-N 457.648 2.879 30 10 JFEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(=O)N1CCOCC1 1587723990 XWRAKGIMVRMRJL-UHFFFAOYSA-N 478.366 2.945 30 10 JFEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1587818119 RESQKERILZIUIF-NRFANRHFSA-N 464.614 2.890 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588045447 KWZSLRQECJFPBT-OAQYLSRUSA-N 481.622 2.993 30 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2.972 30 10 JFEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353472 WSEZDUKQFWPSIC-MRXNPFEDSA-N 462.400 2.581 30 10 JFEE CC1(C)OB(c2cc(O)c(C(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)cc2F)OC1(C)C 2364985423 MHYSSKVRUOPTQQ-OEWRPIJISA-N 452.335 2.691 30 10 JFEE COc1cc(CNC(=O)C#C[C@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2366938259 WKFQPNOUUNYDHK-INIZCTEOSA-N 458.364 2.527 30 10 JFEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2cc(Cl)ccc2OC)n1N 21319760 ZLNIFNWQMXWBCR-LSHDLFTRSA-N 461.935 2.839 30 10 JFEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2Cc1ccc(F)cc1 33511430 PTBGXQZEAIIQJF-AUEPDCJTSA-N 471.290 2.819 30 10 JFEE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1ccccc1C(=O)OC 59265418 RSEDYUHIMQTVKO-UHFFFAOYSA-N 463.523 2.775 30 10 JFEE CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)NCCc3ccccc3)CC(=O)N2CC(=O)OC)cc1 100213383 SCLRAEIAEJGGEC-TZZGGZJJSA-N 497.573 2.717 30 10 JFEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCS(=O)(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208065217 ONVCIVBHMMARBB-QGZVFWFLSA-N 481.424 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452.902 2.596 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1690046697 FLSLZPMBXVIXMW-VXKWHMMOSA-N 485.629 2.907 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1690050042 PXYIAFVEPAJSNR-HSZRJFAPSA-N 458.566 2.702 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690150519 LADBLDAPTHRCNE-UUWRZZSWSA-N 495.674 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(C)COCCO2)CC1 1690154630 VELNPBPKMRNJHP-RUZDIDTESA-N 483.638 2.650 30 10 JFEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690161445 FYIYXKXIGACGMX-MRXNPFEDSA-N 475.416 2.596 30 10 JFEE C=C(C)Cn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690296897 VEDYFGJYHRAGRL-KOSHJBKYSA-N 458.559 2.966 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1690485421 SKPWALDBJGVYPS-NRFANRHFSA-N 475.615 2.539 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690485518 VHTRCLHSHATOQK-HXUWFJFHSA-N 463.648 2.765 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)nn(C)c1C 1690590953 DTGDHXGYYJDTIE-UHFFFAOYSA-N 454.604 2.815 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690663070 LAQBUKRXYFNFGV-LJQANCHMSA-N 450.503 2.502 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(Cl)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677794 ARYRTHLCDIQRGD-GBXCKJPGSA-N 490.004 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690717388 DSPNOCCYUVETNB-HXUWFJFHSA-N 499.641 2.679 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1690724607 SGNDBTBQURPRGV-CTNGQTDRSA-N 459.616 2.854 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1692661554 IBTCALXNSBZOLJ-BZSNNMDCSA-N 459.595 2.813 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1695765450 HYWAIAXAZXULQY-QGZVFWFLSA-N 490.630 2.943 30 10 JFEE CCn1cccc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@H](C#N)C2)c1=O 1695797792 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C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)c2ccccc2)CC1 1705782307 UGOADWFXEGEXLR-LJQANCHMSA-N 481.569 2.805 30 10 JFEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705840424 NCQATHAOVSURQM-JOCHJYFZSA-N 462.602 2.696 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1(=O)=O 1705856610 YRYPWHRZEDARPD-HXUWFJFHSA-N 475.615 2.585 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC(=O)NC)CC1 1705897065 FONODFVFRYSGHL-LJQANCHMSA-N 468.602 2.690 30 10 JFEE CC(C)N1CCC(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)CC1 1706567132 DWHJHNKITNKYCV-UHFFFAOYSA-N 465.646 2.973 30 10 JFEE Cc1ccc(S(=O)(=O)NCCn2c(CC3CCCC3)nnc2N(C)C[C@H](C)C#N)s1 1707560611 HZQXMFMPYYEYFN-OAHLLOKOSA-N 450.634 2.955 30 10 JFEE CCS(=O)(=O)NCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1710896801 DOVCUOWZZZEHKE-KKSFZXQISA-N 464.567 2.627 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722281312 UOPBLQGOCKUOFO-NVXWUHKLSA-N 497.591 2.889 30 10 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C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722481504 BAPIDSPQJAKAFC-UHFFFAOYSA-N 477.455 2.582 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722506684 VEXNKDWNIOKGGW-RZTXVSJASA-N 464.570 2.672 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722542940 BVCTWQFPNOHJJU-FQEVSTJZSA-N 451.358 2.576 30 10 JFEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722621144 VZTDXXMURFCRGN-QHAWAJNXSA-N 458.651 2.906 30 10 JFEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NCC)C1CC1 1722649638 AIGOSYNADHBASU-UHFFFAOYSA-N 459.620 2.555 30 10 JFEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CCN(C(C)=O)CC1)C1CC1 1722653543 GZHLUQMXMFRBCY-UHFFFAOYSA-N 452.603 2.793 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722682535 QYOMBQAHNOHIQN-CQSZACIVSA-N 454.394 2.659 30 10 JFEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1722686721 SWCNVKYZNYFPKC-LJQANCHMSA-N 465.602 2.969 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)nnc1C(C)(C)C 1722704196 QAFASMVWROKNGS-SANMLTNESA-N 466.630 2.749 30 10 JFEE CCC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1727955841 FSPZLMVZNBYRSN-OAQYLSRUSA-N 463.590 2.548 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1728324413 BHVSQMYDYRBZIX-VQTJNVASSA-N 473.599 2.701 30 10 JFEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1730292968 BSTZFFOIHCYPEX-XXBNENTESA-N 457.600 2.975 30 10 JFEE N#CCCN(CC1CC1)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)(F)F 1731188225 HJTUENIQLNPYIY-UHFFFAOYSA-N 472.475 2.939 30 10 JFEE N#CCC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)CC1 1731189575 HYWMADMFACYEMR-QGZVFWFLSA-N 464.448 2.599 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2(SC)CC2)c1 1740561327 BKVLDHPNWHWOAO-XMMPIXPASA-N 469.611 2.882 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1740620338 OXQJXFKHXHFUBA-MRXNPFEDSA-N 452.005 2.539 30 10 JFEE 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30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749219656 OFTBICLRSDKQHB-HNNXBMFYSA-N 478.391 2.976 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1749343164 XYPYSKFNFBEKJK-SFTDATJTSA-N 493.605 2.540 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cccs2)CC1 1749655480 LZSMNFVJLHTUQW-UHFFFAOYSA-N 498.609 2.661 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C 1760152786 ZCXOYRKRMUWRGF-UHFFFAOYSA-N 450.934 2.629 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@H](O)C1 1760212533 XCQVVHUYPHBHBA-PMACEKPBSA-N 468.627 2.561 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760259192 ZXHAMYRHACEGPJ-QFIPXVFZSA-N 499.681 2.950 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ccccn2)CC1 1760285502 IGJCLRISIRAGJO-UHFFFAOYSA-N 464.595 2.954 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760374712 WINATZNAWCVJKW-FUHWJXTLSA-N 452.964 2.519 30 10 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CKJPRDWDJOOBLI-OAQYLSRUSA-N 454.596 2.762 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CSCCS1 1286442614 GXAVPKOLEDUWDJ-OAHLLOKOSA-N 450.659 2.546 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCC[C@@H]2C)CC1 1286473015 NNQCSYYVHWSSJE-SFHVURJKSA-N 457.420 2.947 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286488254 XIFYYWCSWAMNAZ-UHFFFAOYSA-N 497.621 2.870 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1286491550 XBYLWUBBUUVYBK-RUZDIDTESA-N 485.636 2.841 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286511657 CEJQMAYGISLAOH-ULQDDVLXSA-N 477.587 2.831 30 10 JFEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(=O)N(CCOC)C1)C1CC1 1286734022 MVLURYPCESIWSR-CQSZACIVSA-N 463.380 2.685 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1286768358 ZWUUBDOLHFPBLA-GOSISDBHSA-N 459.595 2.965 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286773390 IQGAVVNGEGPBCC-HOTGVXAUSA-N 458.588 2.509 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2ncc(C)s2)CC1 1286781638 WBAKGLAKJJPOJC-UHFFFAOYSA-N 459.620 2.648 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCC(=O)N2)C1 1286806645 ZIPGOHSHGXGMGN-GDBMZVCRSA-N 476.375 2.776 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1286824531 YAQISDKERQGNJI-CRAIPNDOSA-N 451.618 2.855 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1nc2c(s1)CCCC2 1288780432 CKXLDGCBDDQIHJ-INIZCTEOSA-N 499.666 2.974 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1296191135 HFBPWHYSNSMEBH-OFNKIYASSA-N 451.619 2.564 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCN(CCN(C)C)CC2)cc1OC 1300040751 BKTBVOGDLDYOMW-VWLOTQADSA-N 485.608 2.678 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300479130 JALAQRCGBRHHGX-IBGZPJMESA-N 492.045 2.719 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300488668 GAXRVJXEZXJNIR-HNNXBMFYSA-N 454.955 2.525 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](F)C1 1300663403 AQSWMAOETJCTLX-MSOLQXFVSA-N 452.534 2.899 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1300690779 JAEZERNCABXTDG-UHFFFAOYSA-N 484.601 2.584 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1300727315 WICAALITNYDTLC-GGAORHGYSA-N 482.604 2.580 30 10 JFEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300767925 HQJLVIKOBXTKIV-FQEVSTJZSA-N 450.612 2.952 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCOC[C@@H]1CCOC1 1300813965 XAPOOAQMRSIKJV-FDDCHVKYSA-N 457.600 2.705 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1300874394 MGFADXRQAYBCKI-AVRDEDQJSA-N 498.632 2.667 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCC2)CC1 1300973967 AIRFNEFNXYDUCJ-UHFFFAOYSA-N 459.616 2.616 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1301339209 JMHRBDQILZVNGI-NFBKMPQASA-N 482.654 2.976 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1)C(C)C 1301366482 CSVXUXYAKAPHEP-FBLLAGFSSA-N 491.702 2.886 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301530620 XGEGQQOVVPVHNR-BBTUJRGHSA-N 475.615 2.507 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)CC1CCOCC1 1301578240 UIUBKEHXRQJMFP-UHFFFAOYSA-N 455.584 2.957 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN(C(C)C)C(C)C 1303407384 FVTSIYNIINMCHR-UHFFFAOYSA-N 480.661 2.729 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@](C)(O)c3ccsc3)CC2)c1C#N 1304730218 ATYBNHHCWPGSBS-QFIPXVFZSA-N 454.604 2.611 30 10 JFEE CC1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 1305102969 AJSKKYCEFAFMPN-UHFFFAOYSA-N 479.629 2.943 30 10 JFEE C=CCN(C(=O)[C@@H]1CCCCS1(=O)=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352962656 DRVMVXPIXZQPLE-KRWDZBQOSA-N 454.595 2.700 30 10 JFEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1358915075 QYXFQXQWWPWJOP-AUSIDOKSSA-N 483.686 2.816 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1358958227 JVUPYLIKUNSKRZ-JPYJTQIMSA-N 490.651 2.875 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1358958524 QGQHGMGPPHJEBN-FQEVSTJZSA-N 454.552 2.668 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC3CCCC3)cc2)CC1 1359028521 VIZMFDYVRGOUOC-UHFFFAOYSA-N 450.587 2.541 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccnc(SCC)c2)CC1 1359030109 OIJWEZVOCLAFJX-DEOSSOPVSA-N 470.643 2.629 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359092264 YTOIUPIFLHMWRI-GNXKAVGDSA-N 477.650 2.673 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359206025 RGBLNYZSCXTNHH-UHFFFAOYSA-N 479.610 2.983 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359219026 DMDAWPMRILHYRL-KRWDZBQOSA-N 482.614 2.633 30 10 JFEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1359225859 NFEIJLXZLWIERL-UHFFFAOYSA-N 479.585 2.530 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1359257683 SAAQXYFFTIIJEI-UHFFFAOYSA-N 454.336 2.800 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@@H](C)C1 1359309373 PVKOJBTWWFOGTC-ULQDDVLXSA-N 465.645 2.832 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1359311254 WDANWGKINCNJMU-ROUUACIJSA-N 462.595 2.551 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C(F)(F)F)cs2)C1 1359324114 CYLWHOANPXKXKG-AWEZNQCLSA-N 470.521 2.900 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1359324164 DYLRHOHQTRQFLX-FQEVSTJZSA-N 494.621 2.801 30 10 JFEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nnc(C)s2)CC1 1359375604 UMNLJCDVQPSOFQ-UHFFFAOYSA-N 450.572 2.668 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1C(F)(F)F 1359466373 ADVPNXJQTNHJIW-KGLIPLIRSA-N 458.510 2.746 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC[C@@H]1C 1359476625 HWPDRGUXXHBOOI-SJORKVTESA-N 477.407 2.936 30 10 JFEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1470489325 MBNUHIFELLAAEQ-XHNVNVPESA-N 464.562 2.919 30 10 JFEE CCc1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)s1 1498189717 HACYPWHNSARVSY-KRWDZBQOSA-N 485.639 2.650 30 10 JFEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CC1)S(C)(=O)=O 1503435704 HSQGHQAFQZZLEM-UHFFFAOYSA-N 499.685 2.799 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)cc(OC)c1OC 1504077888 DJBYCZPEQGNFPW-WIYYLYMNSA-N 484.601 2.820 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)N(C)C2CC2)c1 1507552732 SFFDZJPAWLECFG-IBGZPJMESA-N 457.582 2.803 30 10 JFEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507562660 MRPBBUAIHXLAMM-LJQANCHMSA-N 451.538 2.997 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507639000 IQBYUBCVOIDKIL-CVDCTZTESA-N 480.638 2.960 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCS(=O)(=O)c1ccccc1 1507655790 BEMCULFTRWPOMV-UHFFFAOYSA-N 453.593 2.571 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507700748 TVSNWPFDSGOAQU-MJGOQNOKSA-N 478.494 2.892 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNC(=O)C2CCC2)CC1 1507724016 CZYORFIFOATNSX-UHFFFAOYSA-N 455.006 2.584 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCn2nc(C)cc2C)CC1 1507726239 AARAKVWLMJIHOL-UHFFFAOYSA-N 461.614 2.731 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCCO2)CC1 1507735615 ZPWWFZBLNWKVEO-NRFANRHFSA-N 481.597 2.887 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2OCCC2(C)C)CC1 1507742218 CQERYVRFPKCMBP-JOCHJYFZSA-N 465.598 2.658 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NCC)CC1 1507827181 XTFHWQIJNBOULO-UHFFFAOYSA-N 453.410 2.603 30 10 JFEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507830912 NBWHZVOADWVGAP-UHFFFAOYSA-N 471.512 2.780 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507838547 DIKKSJOGIZHQIE-LPHOPBHVSA-N 479.423 2.785 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cs2)CC1 1507847567 NXCNAXKEIQHSAQ-UHFFFAOYSA-N 456.620 2.824 30 10 JFEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507866807 CVGBDTSOILUEGE-LJQANCHMSA-N 458.010 2.539 30 10 JFEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1507920028 JDHDJZXFICPZPH-GBXCKJPGSA-N 471.627 2.791 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1508059177 OZPIAVPFAVTZLB-HXUWFJFHSA-N 480.573 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1508136436 SAIPBJOOOSMPTR-WMZOPIPTSA-N 481.569 2.820 30 10 JFEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1508163031 SJAGJXNGDJUXBH-DEOSSOPVSA-N 468.627 2.911 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1516820149 BOIMRCFSHVNXIL-UHFFFAOYSA-N 494.065 2.925 30 10 JFEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1536530106 FTATWRBVFLUKNI-SJORKVTESA-N 459.955 2.933 30 10 JFEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C4CC4)c(C#N)c3)cc2)CC1 1536833731 CKUYUDJENLVGEG-UHFFFAOYSA-N 452.536 2.541 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539221490 OORCPTKCWUGJQC-YLJYHZDGSA-N 460.575 2.526 30 10 JFEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1cc(Br)ccc1F 1539272889 GFQHFJBWKRUOKU-UHFFFAOYSA-N 458.335 2.618 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(Br)cs1 1539400732 KTWGYZMCHARGJL-LJQANCHMSA-N 469.405 2.889 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539475388 DNEOITXDAXJDOU-OYRHEFFESA-N 463.630 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(CCOC)CCCC2)CC1 1539481226 IWJFBBMAQXJIGZ-NRFANRHFSA-N 457.619 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1539482852 XOXOJGYWKGHHNU-FCHUYYIVSA-N 456.635 2.606 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1539489650 VKROZDRQONBTIE-JOCHJYFZSA-N 489.624 2.881 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539527021 ZBAKAQDWVIKCFG-QFIPXVFZSA-N 455.628 2.833 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1540137909 WQSWCMHZGQGECT-UYAOXDASSA-N 495.646 2.838 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@@H]1C 1540137964 XIFJGMJGTFGHEN-QRFRQXIXSA-N 463.579 2.599 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1540191934 RSLPONFTKZTKTA-VFNWGFHPSA-N 481.391 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCOC2)C1 1540898468 LFDYZXJLDIUHGR-HXUWFJFHSA-N 481.416 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1540904636 OACMOSIFZUPTBA-NRFANRHFSA-N 489.548 2.721 30 10 JFEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540910335 FTPPOFRNLKYQFW-QFIPXVFZSA-N 459.572 2.912 30 10 JFEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1540913117 IRWAIGAUXWLKLI-DEOSSOPVSA-N 481.626 2.857 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1540916424 BGQFHSSQTSFNQN-OALUTQOASA-N 464.661 2.754 30 10 JFEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 1541158468 AWBGMRUGBXPRPE-UHFFFAOYSA-N 493.637 2.815 30 10 JFEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1547239243 FNVCECSUZNTNHD-HXUWFJFHSA-N 465.602 2.864 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)n1 1555443719 DJLMDJZOGDYLAN-QGZVFWFLSA-N 450.547 2.509 30 10 JFEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1567408058 ARVQXOHIPXGEDC-UHFFFAOYSA-N 456.480 2.549 30 10 JFEE C=CCc1cc(CNC(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)cc(OC)c1OC 1583798206 JPTPKNCCHPKQNX-UHFFFAOYSA-N 453.495 2.626 30 10 JFEE C#CCCCn1c(N2CCC(NC(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1587894264 RGYBFQZICCPOBT-VWLOTQADSA-N 451.571 2.742 30 10 JFEE 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1659225789 GXVRWCLTLWCVJW-IBGZPJMESA-N 456.543 2.774 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1664694347 KBPGKMQQBVBQJG-UHFFFAOYSA-N 455.558 2.798 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCN(CC)CC1 1689833208 FTEQPIRQHWTKRR-IAGOWNOFSA-N 462.440 2.530 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689982108 IEQBYNNFRTXESN-URXFXBBRSA-N 470.639 2.782 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690089447 AYOQMSCCEZZLGW-JQVVWYNYSA-N 468.577 2.507 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N1CCOCC1 1690196641 RSFLDHRXSCIIIS-JOCHJYFZSA-N 488.386 2.567 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1690228451 XKAJHJDXXSKDFS-HRCADAONSA-N 495.422 2.877 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1690237992 DGBUQNJDXJDQSG-HJNYFJLDSA-N 481.601 2.577 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1690497958 ZKJIIHZSCSOAEA-IBGZPJMESA-N 453.591 2.829 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1690573755 CHBOZGYKTLYOTO-UHFFFAOYSA-N 481.626 2.950 30 10 JFEE CC[C@H](C)N(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1694200732 GGYRIQKBBGQAFV-KRWDZBQOSA-N 458.636 2.708 30 10 JFEE CCCN(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1695302936 FVMYDFNBAOGTJD-QFIPXVFZSA-N 489.624 2.952 30 10 JFEE COc1ccc(Br)cc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1697322544 FHVZIUODRCVNQB-LJQANCHMSA-N 460.311 2.940 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)Cc1ccc(F)cc1 1705553501 YXPYFGJAQYFFNP-UHFFFAOYSA-N 462.577 2.793 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705565829 WURLYQYPEUACQF-BDTNDASRSA-N 484.670 2.725 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1705567905 CGPQCLMLTJLIJA-IBGZPJMESA-N 454.552 2.742 30 10 JFEE 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451.390 2.993 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1740616401 AKRPSRDCKWFKOH-LISAXSMJSA-N 450.511 2.714 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1740617269 ORJRGZXJQRKVRV-IAGOWNOFSA-N 458.515 2.825 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1740622083 TYFBQJFKVVFRDC-INIZCTEOSA-N 491.520 2.558 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1740622676 GKOOBKZSVAELNQ-SFHVURJKSA-N 468.608 2.522 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCCN1CCC(O)CC1 1740678705 HXRNOQTYJQXWTA-UHFFFAOYSA-N 462.573 2.890 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCCN(C)C)CC1 1740701979 TWKPXPYYEIZPHN-UHFFFAOYSA-N 498.697 2.820 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740740367 CFDCXOZQTTUJJH-OAHLLOKOSA-N 463.336 2.522 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740778587 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2.557 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1508041766 UDSXYGGDWDBWCB-UXHICEINSA-N 479.629 2.951 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(F)(F)CC1 1508071861 GGKMBRVOHMOQGI-UHFFFAOYSA-N 451.474 2.509 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1508147310 IMHNUZFCLUSTFY-NDFGADRQSA-N 466.629 2.665 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 1508150767 QILTYZIEDOUMTC-SFHVURJKSA-N 473.628 2.701 30 10 JFEE CC(C)N(CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1512365027 GDFLNXCWILKGTK-IBGZPJMESA-N 451.623 2.726 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCC(F)(F)CC2)c1 1519507553 DQJBEZDDQLRJQX-QGZVFWFLSA-N 465.526 2.903 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539093831 GBKYQKDBDXZONX-OAQYLSRUSA-N 452.603 2.659 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539115600 DOTYLIVLEZNBDT-SFHVURJKSA-N 471.631 2.537 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539212596 WDPWTWDIGHBLNQ-JAXLGGSGSA-N 456.612 2.941 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539231803 YKNFIHFKXGHZSD-XUVXKRRUSA-N 472.611 2.929 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN(CC)S(C)(=O)=O)CC1 1539437911 JUJPUKJPQXIKML-UHFFFAOYSA-N 486.686 2.669 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(CC)CC)cc2)CC1 1539459747 NLHCSMBIXLVVNB-UHFFFAOYSA-N 491.665 2.919 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nccs2)CC1 1539483298 WBKFLWKGRMVCNJ-UHFFFAOYSA-N 470.549 2.812 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1539556111 KELOSTPGJIXSMT-OXQOHEQNSA-N 460.380 2.661 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 1539645263 QNPCDRYNHRYQKA-SBUREZEXSA-N 490.004 2.962 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCOCC1 1539651462 GTNUPNQYAADHOX-LJQANCHMSA-N 489.690 2.917 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1539704733 IFYFPAHIJGPCGR-KRWDZBQOSA-N 473.521 2.842 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O 1539731103 YAAKRIPUPUQQIC-UHFFFAOYSA-N 457.394 2.781 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1)C1CC1 1540108070 GRYKUIYQSIEBQM-HYJWCJBQSA-N 465.620 2.652 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O 1540127328 QYGZVTRYLVXXFI-DQEYMECFSA-N 453.587 2.990 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1540853304 WQRLNKIMUSYZCE-KRWDZBQOSA-N 450.584 2.514 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540863643 ZXBYPUYSZCBWEM-QGZVFWFLSA-N 488.564 2.917 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1540873393 WRFBZYOWUTUUKE-IFMALSPDSA-N 451.619 2.657 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2SCCc3ccccc32)C1 1540884676 SZVGTVBAQYYXDR-HQRMLTQVSA-N 477.656 2.700 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1540888516 RNTGOSZLOKDQHJ-MSOLQXFVSA-N 459.978 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(c2ccc(O)cc2)CC1 1540902610 MWCZHYSGQNPNDH-HXUWFJFHSA-N 460.600 2.863 30 10 JFEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 1547179194 DKRRSFPQGYFTPW-PKTZIBPZSA-N 479.629 2.813 30 10 JFEE COC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548405303 DCBJMZAUQAKICZ-KRWDZBQOSA-N 497.543 2.864 30 10 JFEE CC#CC[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 1557362693 MFNIXQHIQRDRAU-QGZVFWFLSA-N 451.342 2.754 30 10 JFEE COC(=O)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 1558217090 BZZXZPSCKKMCIB-SFHVURJKSA-N 454.426 2.522 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 1561269239 ZTBAGZLSHCOYEN-PKOBYXMFSA-N 451.589 2.964 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC(F)(F)C2)CC1 1588961960 QFVLDLFDEBYIKF-SFHVURJKSA-N 459.545 2.541 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1589042606 HUWPOPACSKNCNG-QGZVFWFLSA-N 465.620 2.558 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 1589069089 IMOMVLLQGSCSSD-ZWKOTPCHSA-N 479.647 2.957 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)CC1 1589545317 NDEIHYCRKFAFKD-JPYJTQIMSA-N 461.557 2.897 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1589578637 HWLZCDUIELXDFV-MTQWNXOMSA-N 475.634 2.652 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1593605292 PXTCYOOIGSOQHN-QHCPKHFHSA-N 454.619 2.761 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1593620471 CXQWVCNIJYFJJT-SJORKVTESA-N 472.615 2.899 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593914467 JYVQUECKGTZAGG-GOSISDBHSA-N 458.950 2.699 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1594455670 VEPVVGAGFGVGQH-HNNXBMFYSA-N 462.576 2.962 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594504038 DYQSUBTWXYBLPV-UHFFFAOYSA-N 482.629 2.653 30 10 JFEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(=O)OC)C1 1594572900 MHDKUEVBOMBUJS-KRWDZBQOSA-N 460.604 2.902 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1595161774 LKDDUSSVVVCFSL-MRXNPFEDSA-N 481.644 2.959 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2c(C)cccc12 1595303349 QZBLAZBTFHNDAN-IBGZPJMESA-N 457.600 2.851 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1595649140 MDMVUVFVJRMAPS-NQIIRXRSSA-N 489.642 2.897 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COCC)C1 1595723032 QDPZKZPYZINLGE-RTWAWAEBSA-N 460.600 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595804998 KCVSOYCYPOLNIN-LJQANCHMSA-N 493.605 2.712 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1595831041 JLBBWHNZEWGUEZ-ZVVDCOBXSA-N 452.621 2.546 30 10 JFEE CC(=O)Nc1ccc(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)cn1 1596354812 CXSFFAAVWQIESG-QFIPXVFZSA-N 453.453 2.840 30 10 JFEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1596404099 DERKVFWLYOKGFO-XMMPIXPASA-N 455.559 2.604 30 10 JFEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1618514492 HZQACLIWEHXWBB-DLBZAZTESA-N 461.611 2.903 30 10 JFEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C(F)(F)F 1619913554 HJUPTQKITHNACA-UHFFFAOYSA-N 450.465 2.834 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1F 1626221561 GMDAPNOSCMSJRJ-GDBMZVCRSA-N 455.552 2.523 30 10 JFEE C=CCN1CCC(NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CC1 1631233056 ROEKHTHIMNKCLF-UHFFFAOYSA-N 455.386 2.876 30 10 JFEE C=CCN(C)CCN(CC)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1635753204 LSLNWCBVPVENRD-QHCPKHFHSA-N 459.587 2.908 30 10 JFEE C=CCCn1cc(C(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)nn1 1639980334 CFPHPVYRZUHIIK-HOCLYGCPSA-N 469.439 2.679 30 10 JFEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cc(Br)cn1C 1644949660 CJQLDNWDYAOTHV-KRWDZBQOSA-N 450.406 2.690 30 10 JFEE N#Cc1cccc(-c2nc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)n[nH]2)c1 1651270474 DJXQCFRKBGSYPZ-IBGZPJMESA-N 450.524 2.524 30 10 JFEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN(Cc2ccccc2)[C@H](CO)C2CC2)CC1 1653157259 HQPWSZXKXVUAEQ-LOSJGSFVSA-N 450.558 2.808 30 10 JFEE C#CCN(C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@@H]1CCS(=O)(=O)C1 1669089170 MKCHLJUUUWRYDN-CYBMUJFWSA-N 455.359 2.622 30 10 JFEE Cc1cc(NC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn1CCC#N 1675917036 DWDJNIFEUNZKMD-UHFFFAOYSA-N 456.981 2.749 30 10 JFEE C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(Br)cc1 1683680987 JJYPXIIAKNOVTG-GVDBMIGSSA-N 452.349 2.793 30 10 JFEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689943434 SDAPRLBXAWFKTC-NHCUHLMSSA-N 457.619 2.685 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1689983835 HZDXTMKBNOAIPP-INIZCTEOSA-N 493.420 2.969 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1c(C)noc1C 1690036922 GPVSUXDVPLQURB-UHFFFAOYSA-N 480.594 2.506 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCS(=O)(=O)Cc1ccccc1 1690045384 KUTRQDFATFDUBC-JOCHJYFZSA-N 454.596 2.988 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690114860 JKCIKOQZTAFPRB-BGYRXZFFSA-N 457.022 2.853 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[C@@H](OC)C(F)(F)F)CC1 1690148461 ICSLOIKRTKPXOO-LJQANCHMSA-N 481.494 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1690150637 OVQLPYQXPZNDIE-RBBKRZOGSA-N 465.598 2.538 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1690154150 JGXVFNYWFHDSHR-LEWJYISDSA-N 486.567 2.677 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690170698 OQUOFXGOSOZGJM-UHFFFAOYSA-N 478.626 2.839 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1690190083 KOGLHUFPDNACBC-RRMPHLOHSA-N 466.007 2.922 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690249370 XKXDNNXWGDYLBZ-SOAMZJECSA-N 477.606 2.572 30 10 JFEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1690275115 UXXLGCKGFIYABX-GOSISDBHSA-N 467.574 2.549 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2Br)CC1 1690363812 BVQHDOWCTXBYMY-AWEZNQCLSA-N 454.394 2.856 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(C)C 1690560036 NUUOIZMCVLUSOI-UHFFFAOYSA-N 475.553 2.938 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1690565904 XBHJEMOKOLCKTQ-NRFANRHFSA-N 487.626 2.851 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690677166 QAPSGTCCWKBBOC-IRLDBZIGSA-N 484.670 2.728 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(C)C)CC1 1690717344 CJXYETYGKZMQEQ-UHFFFAOYSA-N 499.479 2.614 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2cc(F)ccc2N2CCOCC2)n1 1693414456 CANMNDKZIJAGJM-QGZVFWFLSA-N 466.565 2.760 30 10 JFEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@@H](CC)OC)CCOC1 1696079884 FEMCNSIMTHRUFA-HYBUGGRVSA-N 454.575 2.553 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 1705516729 HYDLHBWAXOPDSM-QFIPXVFZSA-N 471.627 2.799 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[C@@H](OCC)C(C)C)CC1 1705638940 BUCQPIJTHQZYBY-HSZRJFAPSA-N 480.661 2.659 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2SCCc3ccccc32)CC1 1705644970 HTZMHUMURQGNPQ-CVDCTZTESA-N 497.665 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)c2ccccc2)CC1 1705645516 WDRRKMFZPBJKLF-FNZWTVRRSA-N 465.598 2.700 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2scnc2C)CC1 1705649712 FHFBYQCSLKHPJT-UHFFFAOYSA-N 478.622 2.851 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1OC 1705695899 CSLTUAIGVXDRMV-POAQFYNOSA-N 463.604 2.515 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705702208 FOPLNAGQMBSQHT-PZJWPPBQSA-N 455.607 2.743 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1705740803 XHQVVHPGRXDBTP-RTBURBONSA-N 454.637 2.803 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705827359 BYSRSXDFYWAXPY-KRWDZBQOSA-N 478.391 2.642 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705912413 JFMJJKNPXGWORH-UHFFFAOYSA-N 482.610 2.780 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)OC)C1 1705925163 LUCOQWQIVRHDSY-MSOLQXFVSA-N 465.595 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)C1CCC2(CC1)OCCO2 1705935491 SSMUHJVYUSJWFG-UHFFFAOYSA-N 474.627 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1705936778 YDFFSGZEEKKEIJ-FQEVSTJZSA-N 475.615 2.812 30 10 JFEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1706713289 AGWVVVACPKHAOC-UHFFFAOYSA-N 462.645 2.819 30 10 JFEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(=O)C(C)C)CC2)n1 1707943608 FNKUGIACFWTTEF-UHFFFAOYSA-N 462.558 2.882 30 10 JFEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1710426629 AANABHUKUIBHOE-JYFHCDHNSA-N 482.629 2.795 30 10 JFEE COCCN1C[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(CC#N)CC2)CC1=O 1712468273 ADXUXIHHNMPGPV-IBGZPJMESA-N 482.585 2.587 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(OC)c(F)c1 1722350166 OKIQYYKORPGHFU-UHFFFAOYSA-N 456.547 2.698 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1722359562 OQUSNTQZHGZOLU-LJQANCHMSA-N 483.619 2.746 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1722360572 VGLMFYSWAALIBU-BWKNWUBXSA-N 488.654 2.657 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1722367246 VPVHHGAHGUUVEX-WBVHZDCISA-N 475.571 2.689 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC(C)C)nc1 1722379573 ULZIHGQYYOKTDW-UHFFFAOYSA-N 477.594 2.542 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722460000 BHZSKZHEBNPYRO-RUZDIDTESA-N 496.725 2.775 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1722474107 LOXYWBSKLNDEEH-SIKLNZKXSA-N 496.008 2.638 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1722517783 NTBYPUFIJOCIHA-IAGOWNOFSA-N 461.579 2.839 30 10 JFEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1722539874 CAQNSYRLILBURJ-FQEVSTJZSA-N 457.600 2.517 30 10 JFEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1722540346 CJUPCNQROONNNF-UHFFFAOYSA-N 482.006 2.575 30 10 JFEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCNC(=O)C(C)(C)C)CC1 1722560819 JTTNTWOZWZJMML-UHFFFAOYSA-N 473.647 2.865 30 10 JFEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1722561553 WFYNTGBLMIVTAG-QHCPKHFHSA-N 460.600 2.702 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722695548 HUHQXZRJQQIZDN-LJQANCHMSA-N 478.553 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(c2ncccc2F)CC1 1722724714 DISDRNHEVXTQOT-KRWDZBQOSA-N 450.584 2.643 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cncn2)C1 1722725086 FAHSGEDFPHXOBG-MRXNPFEDSA-N 461.979 2.632 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1722732776 OVWDKKGTZUWDIY-CYBMUJFWSA-N 457.572 2.648 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNC(=O)c1cc[nH]n1 1740537756 HFVRPTGJOWBRNZ-HNNXBMFYSA-N 460.567 2.988 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2Cc2csc(COC)n2)c1 1740564605 SAOIYVQPRWMECR-UHFFFAOYSA-N 450.568 2.938 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740597155 QEHIWMFOUKSOKJ-MOPGFXCFSA-N 494.662 2.529 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(SC)CCN(C)CC1 1740657606 UGAKQPORMHZDDU-UHFFFAOYSA-N 492.697 2.742 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1740684223 LGRYOJLVDLLWQG-UHFFFAOYSA-N 488.596 2.721 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(Cl)cc1OC 1740684305 MNTZYMSJIXEZPF-UHFFFAOYSA-N 457.918 2.802 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(Br)cs2)CC1 1740689288 UUAMHGZEAOTSPG-UHFFFAOYSA-N 479.448 2.824 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2CCN(c3ccncc3)CC2)CC1 1740702823 YHDMHRDAKQYRNG-UHFFFAOYSA-N 463.630 2.853 30 10 JFEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740711727 TXHJFPUOLUBLSS-IBGZPJMESA-N 479.631 2.795 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740724256 ZWZZQFIJGWOKGP-ATIYNZHBSA-N 464.614 2.790 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(=O)(=O)CC 1740730125 RZYVHZAPGJTXOA-HSZRJFAPSA-N 468.583 2.922 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CCOC)CC1 1740763315 JNCJAJJPKITYNR-ZJSXRUAMSA-N 455.603 2.915 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(C(F)(F)F)c2)CC1 1740832835 JBDCFMCIYZTZFV-ZDUSSCGKSA-N 458.510 2.753 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740844281 XLQGAXVTKZDBHQ-LJQANCHMSA-N 451.575 2.963 30 10 JFEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)CN1CCOCC1 1740946358 KRHBXQFSGZASBO-UHFFFAOYSA-N 465.602 2.656 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3Cl)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964667 GEYKLPCDHFHZLT-RDPSFJRHSA-N 490.004 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCCCCC1 1740987241 DBCRMDHSTPCJMA-UHFFFAOYSA-N 466.629 2.720 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1740989245 GHKCQABPBHYIEA-UHFFFAOYSA-N 478.578 2.860 30 10 JFEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 1746956654 HQVKQBYHSGQKSY-UHFFFAOYSA-N 478.519 2.821 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOc2ccccc2)CC1 1748730726 QMXVDJYNRRSKCZ-UHFFFAOYSA-N 459.554 2.540 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1749060293 NYKUMPBSDVDDSK-RXFWQSSRSA-N 466.630 2.980 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749136334 MBNYFSFFIKDMNB-XUZZJYLKSA-N 458.651 2.639 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@](C)(C(N)=O)C1 1749141060 WRFBEGPYMQRWLV-KDSXSNECSA-N 469.586 2.939 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCN(C)C(=O)[C@H]1C 1749141566 ZQQOUPZQUFROPL-MSYCTHLASA-N 469.586 2.904 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1749216953 WYSJNFQKYJYLTB-UHFFFAOYSA-N 470.574 2.549 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749255565 CHRRWQPSYBEWPH-SFHVURJKSA-N 468.023 2.648 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1749260844 XEMPPUVFRQJDTE-UHFFFAOYSA-N 467.799 2.670 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)C1 1749693167 HDBKMYQSWFNGRV-OAQYLSRUSA-N 453.635 2.942 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749751020 IKSUYTLAPUCMSV-SFHVURJKSA-N 452.588 2.657 30 10 JFEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C[C@H]1C 1749873327 FLGHWQKPZRNVRG-VSKRKVRLSA-N 495.672 2.861 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1750792606 CCMSOVDXFKRXQH-UWJYYQICSA-N 465.645 2.916 30 10 JFEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760133183 XBPKJWOKPWGELM-INIZCTEOSA-N 480.432 2.981 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(F)F)CC1 1760138215 TZEZDJMHFKSYCO-UHFFFAOYSA-N 458.561 2.643 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760182435 FTPYIRTVQZIAAF-DVECYGJZSA-N 472.611 2.522 30 10 JFEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCN(C(C)=O)CC1 1760228506 IGVYSWNIYVRBDD-UHFFFAOYSA-N 454.644 2.899 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1760287006 CLJDAROLZPHGQZ-KRWDZBQOSA-N 472.619 2.637 30 10 JFEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760304730 DTWVBIUNUWICRE-UZLBHIALSA-N 488.434 2.628 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760323715 FOFDEJKWCHSAIP-JTAQYXEDSA-N 452.603 2.938 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1760337230 OKSLCPUQPYPROW-SFHVURJKSA-N 460.583 2.671 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760342963 RNBBLXWATBSMGV-FDDCHVKYSA-N 468.602 2.527 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760412394 KMFTYMGTBYFWLP-OALUTQOASA-N 465.664 2.915 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](COC)C1 1760551258 YODATMIWAALJHE-HNNXBMFYSA-N 486.436 2.510 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1760552663 WVVWHAXILHCNCC-HSZRJFAPSA-N 453.568 2.693 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 1760557463 MHGZALVRCMZJOD-JOCHJYFZSA-N 484.626 2.709 30 10 JFEE C/C(=C/c1ccccc1)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1760571984 RYXIZZDGGISEKU-WBILKINKSA-N 454.556 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477.631 2.662 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1300761361 BSOKKOCZXFEFJQ-SFTDATJTSA-N 474.652 2.687 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1300975684 YTALFIJSDGSVRU-MRXNPFEDSA-N 478.351 2.898 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC(OCC)C2)CC1 1301087155 WHRCIZNTIYSFBN-SZTYLXMGSA-N 477.606 2.673 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301150946 FCMXREHJMOTYGR-RBUKOAKNSA-N 463.648 2.525 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1301223075 MDTCSQKADKZOQS-AZUAARDMSA-N 463.579 2.710 30 10 JFEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301331239 HICJNRCONRMLAW-LJQANCHMSA-N 459.616 2.910 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1301421530 YZRIZJMMSCSZJX-IBGZPJMESA-N 464.492 2.719 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1301567316 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470.599 2.509 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2O)cc1 1611508052 NIXLLVKSJXVBTF-UHFFFAOYSA-N 458.277 2.713 30 10 JFEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1614316570 AVXYNKFHOWCICH-FQEVSTJZSA-N 477.613 2.995 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(CSC)c1 1616910367 DRKHJPKCCWXHMU-UHFFFAOYSA-N 480.642 2.966 30 10 JFEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CSCCS2)C[C@@H]1C 1619937307 GGEYCBCAVNHWSD-PXNSSMCTSA-N 458.657 2.822 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 1631744529 GTRNBNBQCQAGSU-GFCCVEGCSA-N 453.856 2.955 30 10 JFEE Cc1cccc(N(CCC#N)C(=O)Cn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)c1C 1652650672 AKNSZBWTPAFSBL-QHCPKHFHSA-N 459.554 2.810 30 10 JFEE Cn1cc(CNC(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)c(-c2ccc(C#N)cc2)n1 1663341834 CKYQSGBPWQWBRL-UHFFFAOYSA-N 453.524 2.704 30 10 JFEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1674888351 CLPZEYXREJNDDC-NRFANRHFSA-N 458.540 2.813 30 10 JFEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)CC1 1675719916 KBJNHECLVYTVJI-JCNLHEQBSA-N 454.390 2.657 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2ccc(OC)nc2)c1 1689870313 JVTFQXKFEJQSJD-UHFFFAOYSA-N 453.506 2.848 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689992969 RYRTZLIUMQEHBT-DHIUTWEWSA-N 499.681 2.769 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nccs1 1690043461 BZOZGSHZCLSTGW-UHFFFAOYSA-N 457.563 2.744 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC2CCCC2)cc1 1690092254 BEJYXIZIAOYANU-UHFFFAOYSA-N 451.571 2.970 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@](C)(O)C1CC1 1690095154 GOINBYFLKMYGIV-OAQYLSRUSA-N 463.376 2.963 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(N(C)C)c1 1690095453 QWOYHILXYOXTEX-UHFFFAOYSA-N 495.653 2.747 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2coc(-c3ccc(C)cc3)n2)CC1 1690111937 MYQYNRJEOFTRRI-FQEVSTJZSA-N 464.570 2.769 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(Br)n2)CC1 1690122666 YLOHCKYLNOLYQQ-UHFFFAOYSA-N 452.360 2.610 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cccc(OC)c2)CC1 1690155061 DWEMSAFQXPRJGS-QGZVFWFLSA-N 477.656 2.647 30 10 JFEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690224196 GGOFUCKPISQSRC-UHFFFAOYSA-N 469.343 2.917 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1690253817 UHPFMDFNOIYRJU-WWEVIYMKSA-N 469.586 2.904 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690287938 AUESDECKAXOHPP-ACRUOGEOSA-N 490.649 2.710 30 10 JFEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690495919 IWPNTNRVMWLBAR-GMAHTHKFSA-N 460.667 2.963 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)C1CCCC1 1690661886 KDQRGZVVWSRPJP-UHFFFAOYSA-N 459.620 2.618 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1690671964 FAVKLSMDQQOHEI-GOSISDBHSA-N 487.511 2.534 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1690672866 GLEQYOFWTAZWFO-QFIPXVFZSA-N 471.577 2.865 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccccc1 1690674871 INXMRYJCFSSFFW-GOSISDBHSA-N 450.568 2.913 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690676688 ASBSDCNAOUQAQO-UHFFFAOYSA-N 477.656 2.585 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(CC)CC)CC1 1690678326 SGSXHDDQGPSUMZ-FQEVSTJZSA-N 489.665 2.963 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)C(C)C)C1 1690699154 AHEQPMSLWMEWOO-IECBHUPTSA-N 479.622 2.775 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1690742362 NXXCGHCHHHBUMI-MJGOQNOKSA-N 454.600 2.638 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1c(F)cccc1SC 1696328178 BBIZNHCJJKTNFZ-UHFFFAOYSA-N 484.605 2.964 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1705492786 WYURTFVOFBFGNE-RBUKOAKNSA-N 461.607 2.782 30 10 JFEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1705523377 PVCJRMIKJIFCML-UHFFFAOYSA-N 464.574 2.674 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705563798 FYLGDIPODCJYTB-LGVFNWMJSA-N 494.665 2.811 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1705568161 IQHOTJBHWFDITB-IBGZPJMESA-N 474.652 2.996 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568168 ISICDUVWSAGEMG-NQIIRXRSSA-N 490.626 2.554 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1705568291 KFNHBEDPLCHSOP-IBGZPJMESA-N 460.600 2.526 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nncn1C 1705623681 ZYZMXKSAEWSBFJ-UHFFFAOYSA-N 464.755 2.624 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nc(C)c(C)s2)CC1 1705634445 VVUAWPKQYCZBON-UHFFFAOYSA-N 451.556 2.925 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)c2cccs2)CC1 1705640927 KLBWMSCHMHZBRL-DEOSSOPVSA-N 451.596 2.602 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncccc2C)CC1 1705645710 BGNOZBFQZUMALV-UHFFFAOYSA-N 474.565 2.680 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)CN(C)C)CC1 1705645844 HJAJPTMGNLCQST-UHFFFAOYSA-N 458.010 2.547 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OCC(F)F)CC1 1705648565 UOKSALFCCMGTIT-LJQANCHMSA-N 488.539 2.573 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCCCCC2)CC1 1705661776 IWBKLZZDALMWGJ-OAQYLSRUSA-N 479.716 2.639 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705721324 VIWVQBRGMGETEF-WNSKOXEYSA-N 456.522 2.948 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OCCOC)C1 1705725694 NPFANGWUBKHVAS-MOPGFXCFSA-N 465.595 2.794 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705826415 VFPVPJRNGFFROR-INIZCTEOSA-N 453.996 2.661 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CCOCC1 1705864001 NPKMQZMBQGUPOU-MRXNPFEDSA-N 453.634 2.959 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)C1)C(C)C 1705867638 RPYUESIDJFXBSX-NRFANRHFSA-N 480.613 2.693 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705932241 QNJYEEQFJDKQNK-UHFFFAOYSA-N 486.617 2.736 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705934304 IHHOONVDQBTLRT-SFHVURJKSA-N 463.648 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1705936454 READLRGIUIFQCG-RTBURBONSA-N 476.599 2.742 30 10 JFEE CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1706365378 HITPDBFKKLXCRG-FPOVZHCZSA-N 482.608 2.543 30 10 JFEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)c1ccccc1Cl 1706901449 CGLJETRGBIUSMP-VGSWGCGISA-N 478.018 2.871 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)c1C 1706980081 AISLKZSHLCGPEL-AZUAARDMSA-N 473.599 2.589 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1711287332 FNVIVEIQZPTODP-CYBMUJFWSA-N 481.782 2.862 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722303732 QYDOBYOGRGWUFL-MAUKXSAKSA-N 455.456 2.717 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 1722316316 HFOWQISXGJSBTN-MOPGFXCFSA-N 463.629 2.818 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369081 VJJPQVOUUOOWRD-FGTMMUONSA-N 454.662 2.924 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCN2CCOC2=O)CC1 1722430832 JJBZMVZOYIAPNM-OAQYLSRUSA-N 466.586 2.632 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722455539 SMBAZKOWXJYLIY-UHFFFAOYSA-N 477.550 2.577 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722494594 QGSPXHRJMNTWLA-HUUCEWRRSA-N 472.384 2.768 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722527383 HUDDHMKFAMBCOS-UHFFFAOYSA-N 475.638 2.610 30 10 JFEE C=C(Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1722541828 QGLOTQFGKXHFMA-UHFFFAOYSA-N 452.603 2.534 30 10 JFEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722603525 WRCOHIHBJKAZHR-UHFFFAOYSA-N 450.547 2.577 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1722701705 APSOMUABIYLEAS-QZTJIDSGSA-N 468.558 2.514 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCS(C)(=O)=O)C1 1722713025 AMQOPMPWWZXODS-ZDUSSCGKSA-N 475.434 2.985 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722742409 SOKQPLZLFIIAMB-LJQANCHMSA-N 474.631 2.913 30 10 JFEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1722832123 DGGHREOCRJMTPU-IFMALSPDSA-N 450.543 2.774 30 10 JFEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1723478514 CHUQJGLXXPOCMF-UHFFFAOYSA-N 491.552 2.754 30 10 JFEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1726381083 HFPMLFKZHYSKOF-HXUWFJFHSA-N 464.492 2.769 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCC)c(OC)c1 1740554088 WAJMKCHHAHTZNZ-MJGOQNOKSA-N 460.600 2.874 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)[C@@H](C)CC)c1 1740563200 RGIXXOYWPRVCFT-GHTZIAJQSA-N 466.586 2.631 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740623682 ZGRJVAPJHYGKEW-WWNPGLIZSA-N 485.654 2.667 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1740624949 LLSZGLUTYWARIU-JOCHJYFZSA-N 463.607 2.750 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1740627892 KWTMVFSMUIBKPB-HXUWFJFHSA-N 485.635 2.800 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1 1740652780 MTRHDAWQSKXVHX-UHFFFAOYSA-N 457.582 2.531 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC(C)C)nc1 1740664389 ONMBXRVMDADVNK-UHFFFAOYSA-N 482.610 2.885 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCSC2)CC1 1740691277 YJKSGHCBWSHAMX-JTSKRJEESA-N 462.019 2.695 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c(C)coc2C)CC1 1740698982 XRKRRSKNDAJEQU-UHFFFAOYSA-N 465.554 2.984 30 10 JFEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740886718 QGZBZGBJNZIIRE-GOSISDBHSA-N 453.634 2.630 30 10 JFEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@@H]1CC 1740888239 RLAXNCXTRMJUKN-OALUTQOASA-N 495.671 2.779 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C)C(C)(C)C1 1740937119 AMJWURJZSGHNDJ-UHFFFAOYSA-N 452.607 2.533 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1740938807 MHZOQLPZHVSSLF-LJQANCHMSA-N 486.686 2.934 30 10 JFEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1740967481 HTPUSVSDHRIDOQ-SFHVURJKSA-N 481.578 2.882 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740969616 SZKULIAQHNXUMU-DLBZAZTESA-N 458.588 2.550 30 10 JFEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740997524 VZLRETZSFUMZDD-SJORKVTESA-N 489.598 2.825 30 10 JFEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1743115693 CQIFCCMMXHJBHB-FQEVSTJZSA-N 494.644 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30 10 JFEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1)c1ccccc1 1749242405 HUQMMJBEAVDBQH-VYDXJSESSA-N 473.521 2.758 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1749341548 HXAJYHWUOGSYOV-JOCHJYFZSA-N 452.603 2.815 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1749430523 PRVJYDMDEYMCON-HXUWFJFHSA-N 476.622 3.000 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC1CC1)C1CC1 1749519671 PFYMEZCORQTBKB-IBGZPJMESA-N 495.646 2.566 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OC(F)(F)F)C1 1749713879 ZVIIMELXBSOJAE-SJORKVTESA-N 486.516 2.908 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1749723682 BOGKSSMUMRWWHI-IRXDYDNUSA-N 467.389 2.676 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](COC)C1 1749727239 QRSOPSBAMOBBTF-OAHLLOKOSA-N 475.398 2.704 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ccccn2)CC1 1749739832 KUUPULPGNQXAHX-UHFFFAOYSA-N 496.637 2.796 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1749756171 UFQQPXHMGKZQQE-AZUAARDMSA-N 495.715 2.574 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CCO1 1751036597 ACQXMQQUBVGPLS-WEZXKFLESA-N 459.616 2.994 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC(C)(C)O)CC2)c1C#N 1751827310 AITJHFRWPMXZQN-UHFFFAOYSA-N 486.527 2.558 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760103066 XNUKWBNRUOHENM-LPHOPBHVSA-N 461.530 2.812 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760120086 HXCOGQZHMFGKHU-JAXLGGSGSA-N 471.627 2.562 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760181607 YFLGXFJAXMVNDJ-YZGWKJHDSA-N 460.600 2.697 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760186999 BYIKSEPTVZVVKM-OAQYLSRUSA-N 495.605 2.501 30 10 JFEE C#CCN(c1nnc(C2CC2)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 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JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286781335 XDCPFAKGZISFCC-QZTJIDSGSA-N 466.517 2.912 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286788841 HUQUODXFWKIBME-UHFFFAOYSA-N 484.004 2.752 30 10 JFEE C=CCOC[C@@H](NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1)C(=O)OC 1297029537 IUDLTWDNEIKUJI-GOSISDBHSA-N 452.916 2.615 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C(C)C)N1CCOCC1 1300276768 QVSBLLPMEMLFOS-ICSRJNTNSA-N 471.602 2.786 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1300485030 VYSLWAQDOLGCJL-LJQANCHMSA-N 492.667 2.565 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300496603 SKUAKZHYTMWYCE-ZJSXRUAMSA-N 456.612 2.860 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300501322 JKAOOINXDRPUOU-NRFANRHFSA-N 482.654 2.707 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@H](F)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1300504373 MRQUYODPHOHNLD-ROUUACIJSA-N 499.406 2.915 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1300766835 LRTPSTNGGLGFHL-HXUWFJFHSA-N 479.654 2.872 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1300776910 ONPREHFJKUOYFY-UHFFFAOYSA-N 455.563 2.871 30 10 JFEE C=C(C)COCCn1c(N2CC[C@](O)(c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1301002475 ZYCYZTKDICEUBF-DNQXCXABSA-N 460.550 2.760 30 10 JFEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301060189 CCEZPRNBJGZOOE-FGTMMUONSA-N 495.024 2.629 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1301165566 HZQZLSTXCOMYBI-XZOQPEGZSA-N 485.654 2.893 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1)c1ccccc1 1301165909 MMOVUOINRTXFJI-NRSPTQNISA-N 491.683 2.913 30 10 JFEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCSCC1 1301289552 KZMPROOEDQPWJP-UHFFFAOYSA-N 453.616 2.736 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301576380 DADUFZAUZFZMDY-GOSISDBHSA-N 482.006 2.914 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(F)cc(C)c2C1 1301593890 WWRVVNYBGIZARW-UHFFFAOYSA-N 472.590 2.751 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCS(=O)(=O)CC2)c2ccccc2c1=O 1303635360 FAVAURJQWWDFDW-KRWDZBQOSA-N 497.625 2.799 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1303753583 CKNLFXBEIWMWAM-HXUWFJFHSA-N 452.603 2.774 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)c1 1304181094 ALXDTLBXIHIFPR-QFIPXVFZSA-N 466.586 2.995 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 1310130091 DJRHIELJJOMITK-IBGZPJMESA-N 457.556 2.921 30 10 JFEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 1312262840 DFLTVDTWZDVQCB-UHFFFAOYSA-N 457.552 2.766 30 10 JFEE CCN(CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1313663012 FPFHWFMXAWTLJB-SBHAEUEKSA-N 467.622 2.627 30 10 JFEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1314806734 AYAKREBBYCHGKM-OAQYLSRUSA-N 468.602 2.702 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1cccnc1N1CCOCC1 1358898244 OSHWLAZBXFBERK-GOSISDBHSA-N 450.518 2.734 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCCCO2)c1 1358900870 UMGSGVPCNJKGRC-OAQYLSRUSA-N 464.570 2.530 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1358957820 AVUZFLSPYSFMFR-IBGZPJMESA-N 485.013 2.735 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1358959248 FLNSYBWBRGCUGY-PGRDOPGGSA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358959506 KHYWRKRNRKJBAV-PMACEKPBSA-N 473.618 2.833 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1358998347 AVKHDJQKVLZFMR-RXFWQSSRSA-N 480.613 2.824 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1CCO[C@H](C)C1 1359024023 CSJWFLVVCDHMPT-RTWAWAEBSA-N 467.618 2.743 30 10 JFEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](CCOC)C1 1359055268 YJFRHFADUNLLAK-GOSISDBHSA-N 466.611 2.904 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359059938 FQEPQKQBIIGBAP-GOTSBHOMSA-N 453.656 2.977 30 10 JFEE C=C(Br)Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1359088218 DYJGUXFFKVZFBQ-OAHLLOKOSA-N 469.302 2.732 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1359133610 WERHFUOSEYYDRL-HXUWFJFHSA-N 487.576 2.632 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1359267639 MVARRGXLHVTNRJ-GBXCKJPGSA-N 487.626 2.712 30 10 JFEE C=CCn1c(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290812 QDXGAQKTSDVOBM-VWLOTQADSA-N 471.577 2.925 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)c3cccc(C)c3)CC2)nnc1C(C)(C)C 1359335099 AUSKUSYPNGNVFW-UHFFFAOYSA-N 473.643 2.837 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1360476029 GYESSISWLSKTKR-KZNAEPCWSA-N 460.579 2.584 30 10 JFEE C=CCOc1ccc(COC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1 1435842008 BWUHTTJRNNSHHV-IBGZPJMESA-N 457.504 2.932 30 10 JFEE COc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1S(=O)(=O)NC(C)C 1458833847 GIHRREYEGXATCT-UHFFFAOYSA-N 457.487 2.831 30 10 JFEE C=CCC1(O)CN(C(=O)CCCc2nnc(-c3ccccc3I)o2)C1 1471823276 UJXWRBOIYCSKEF-UHFFFAOYSA-N 453.280 2.813 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1499986478 GVJGGTUSDCJTKC-DENIHFKCSA-N 477.613 2.960 30 10 JFEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1503566003 GJHPNYDCJZZXQH-UHFFFAOYSA-N 471.505 2.942 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C2CC2)c1 1504139062 BKQMYXAFLBFHSU-MGPUTAFESA-N 462.348 2.606 30 10 JFEE COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC 1504277442 IDLLEOKPQQTZOR-SFHVURJKSA-N 476.585 2.919 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCCN2CCC[C@@H]2CO)c1 1507547436 LFDLJFDHSHGBDJ-JOCHJYFZSA-N 466.630 2.869 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1507550206 VFJHXUALCOWQKB-UGKGYDQZSA-N 463.538 2.954 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 1507564734 VZPDIXDHTSUUAR-IRLDBZIGSA-N 471.627 2.717 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507572500 LSMSFAOZSFUFHH-UHFFFAOYSA-N 466.933 2.830 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1507624636 CSDIGNUUNTTWSI-HNNXBMFYSA-N 478.372 2.612 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635138 SVHXWEPMUNEOEB-IBGZPJMESA-N 493.674 2.893 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507639068 JBQDPXVIOGCTET-NVXWUHKLSA-N 469.032 2.889 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)N1CCN(CC)CC1 1507644789 OHMUJOHUWRSPEH-GOSISDBHSA-N 487.421 2.946 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CN(C2CC2)C1=O 1507647549 DEVICZBVGMKVIN-FQEVSTJZSA-N 458.385 2.853 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507681263 VFUKGFMYMZQPQE-INIZCTEOSA-N 469.533 2.692 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCCN1CCOCC1 1507690106 PRMSIIQQBHYRKM-UHFFFAOYSA-N 474.650 2.965 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1507721589 WLOHFTHAVXKSLS-DEOSSOPVSA-N 450.631 2.620 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](OC)C(C)(C)C)CC1 1507735305 RJQNPWCYFXAVQW-QFIPXVFZSA-N 481.597 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507741359 QJLXCQRCAZPCCS-HRFSGMKKSA-N 495.624 2.773 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1507749020 SJDFFBMQTPOFPP-UHFFFAOYSA-N 467.555 2.838 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1507765159 JAHXUQYBFZJCBX-XMMPIXPASA-N 483.523 2.609 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1507794411 HTSBYGVAKRWGSE-JTSKRJEESA-N 491.011 2.929 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507869819 YHJLZJONSKUSRK-OTWHNJEPSA-N 499.056 2.884 30 10 JFEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507960668 VBMJGACZDUIOHA-XUZZJYLKSA-N 466.630 2.835 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)CC1 1508140329 MSWLGEDTRHGQTF-GOSISDBHSA-N 484.626 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508150072 ZILYYNQTLXCSNR-FQEVSTJZSA-N 486.667 2.656 30 10 JFEE CCOC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1516040490 BEFXUSIXDFKUNY-UHFFFAOYSA-N 481.601 2.882 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1539125952 REESZMCFMCYMOJ-TZIWHRDSSA-N 483.617 2.802 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539206503 QKLQZHUFOATBFV-IMFGXOCKSA-N 463.003 2.898 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1539229729 HOXMJEAHLTZOCA-QRQLOZEOSA-N 464.538 2.761 30 10 JFEE C#CCN(CC#CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ncn(C)n1 1539330976 DZGHASWCCDLYRK-UHFFFAOYSA-N 451.962 2.891 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539447460 SBTNQBBZCJNAOF-NJYVYQBISA-N 472.634 2.920 30 10 JFEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1539511013 PFCFHSZKQKGWCL-GOSISDBHSA-N 493.637 2.523 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@H]1C 1540127652 SYVHPZAOLOLKMA-HXUWFJFHSA-N 461.570 2.839 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1540867932 MTSLWLAJAQNLLU-IBGZPJMESA-N 489.580 2.814 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540874952 XANUDLVNKDEWDE-CJFMBICVSA-N 469.586 2.550 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@H]2C)C1 1540897008 YIXDEFUPLLDVHB-NJYVYQBISA-N 490.649 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540899473 PSNOAZXACYNMDP-KRWDZBQOSA-N 478.981 2.515 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)F)C1 1541201319 DSZYRGACHZRBCU-KRWDZBQOSA-N 495.575 2.904 30 10 JFEE CCOc1ccc(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC)cc1 1548369159 FLSPFXMKQOFEHQ-OAQYLSRUSA-N 474.483 2.982 30 10 JFEE CN(C)C(=O)[C@H]1CN(C(=O)c2cncnc2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376600 CESCFYGGJPQGHI-HXUWFJFHSA-N 486.498 2.814 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1587765459 GXGIDWGJDCZZTC-OALUTQOASA-N 469.677 2.527 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588029746 LNEGFHYWVNBMRC-IAGOWNOFSA-N 467.636 2.722 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588044906 CNWBGWMJDDBJDD-PNLZDCPESA-N 463.003 2.776 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1588069299 LDWOWLPZTKSQQV-HSALFYBXSA-N 460.575 2.665 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1588673239 NNJJWNPEQFSWCZ-MRXNPFEDSA-N 456.538 2.604 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCSCC#C)CC1 1588908137 KZINFSNMTMZTET-UHFFFAOYSA-N 458.591 2.826 30 10 JFEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1589406241 VUALPRBXTHSPQY-HUUCEWRRSA-N 472.384 2.720 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1589559697 UDRVZIDQSNKCEZ-IFMALSPDSA-N 467.618 2.875 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1589567190 BIXFEPZWXUZSGA-CNNODRBYSA-N 488.633 2.827 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1589708156 DRFOWGOOQYSVEK-QFIPXVFZSA-N 482.629 2.592 30 10 JFEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCO[C@H](C)C1 1593703073 BXZIWLQTSJGKHC-QGZVFWFLSA-N 462.620 2.755 30 10 JFEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)c1ccccc1 1593782066 FRWQVOAJEBJZCT-LAUBAEHRSA-N 484.630 2.652 30 10 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C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(CCOC)c2)CC1 1740834945 DWZUFOAIFRRSFJ-UHFFFAOYSA-N 470.599 2.642 30 10 JFEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740933467 TZZNODCGRIXOKS-OAQYLSRUSA-N 462.602 2.987 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740956445 RXZXCCNRHWCJGL-GOSISDBHSA-N 451.531 2.640 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740987508 HRJXCZJZBRJPAO-UHFFFAOYSA-N 487.582 2.620 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740994939 YQTVXCBFERLOCD-ZJSXRUAMSA-N 474.627 2.913 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1741000283 OONYOYTXTJMDOS-UHFFFAOYSA-N 481.626 2.653 30 10 JFEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1741001898 DNRWCKWSGSVKGV-MAUKXSAKSA-N 452.602 2.579 30 10 JFEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1745743758 BAUGIJJHFGGHPV-QPPBQGQZSA-N 492.672 2.728 30 10 JFEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1OC 1748615941 DVKKCMFIBBUTNG-GOSISDBHSA-N 473.599 2.917 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748820624 GFXGUOOBUVQBAG-LEWJYISDSA-N 465.579 2.712 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1748868007 PTHSYRHLVLQEOY-NBGIEHNGSA-N 473.618 2.896 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nc(C)cs2)CC1 1749006522 QMSOXPAHZRQBHQ-UHFFFAOYSA-N 450.568 2.733 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1749241488 PGXMUTGAKBFFJS-SFHVURJKSA-N 464.611 2.904 30 10 JFEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749246621 GXFUZZJOHFUHFU-INIZCTEOSA-N 452.987 2.960 30 10 JFEE C=CCCCn1c(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1749440256 WBZKGWRUEGCBHP-IKGGRYGDSA-N 467.636 2.668 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1749457022 DTIDUUWOOAQCSJ-NRFANRHFSA-N 472.611 2.872 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749622819 XXNZHWOIQFDLNF-AWEZNQCLSA-N 454.394 2.659 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2sccc2C1 1749724618 MFFCFAYEZFAOSM-UHFFFAOYSA-N 492.648 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1749730796 QWDQTMCQMPPIKV-UHFFFAOYSA-N 452.943 2.708 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749740149 QYHYLMCBMQLKQH-LJQANCHMSA-N 477.656 2.585 30 10 JFEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 1749813602 AHUFPBGBKDPDBK-GOSISDBHSA-N 466.586 2.991 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)c1C 1751324749 IAOHDUUOIJMGBI-UYAOXDASSA-N 452.559 2.823 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760132251 JUZZLGSEOXUHIQ-UHFFFAOYSA-N 450.996 2.705 30 10 JFEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760139553 GZWYPVVPZRQRBR-QHCPKHFHSA-N 478.597 2.642 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760146179 FEBAVTJOXCSAPZ-GOSISDBHSA-N 477.544 2.791 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1760152586 RBXJIWAJXVATMC-UHFFFAOYSA-N 491.596 2.910 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1Cc2ccccc2O1 1760175924 VHCBBEWSTXSDEM-OALUTQOASA-N 453.543 2.660 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1760181658 ZJXJEBLJOMTFPM-VXKWHMMOSA-N 466.611 2.652 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1760244048 KQHPNTHDBIKFBF-LJQANCHMSA-N 467.595 2.713 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)c(F)c2)n1 1760251495 BLBVSORNNIVSSX-IBGZPJMESA-N 470.524 2.981 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC(F)(F)CO1 1760252093 CKHPQHLGUNFLBZ-IXDOHACOSA-N 469.533 2.559 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(OC)cc2)CC1 1760254825 MEEWWXYTDMNUJE-UHFFFAOYSA-N 469.387 2.858 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCNC(=O)c2cccs2)CC1 1760258717 QSTKLSLMDSITRP-UHFFFAOYSA-N 494.621 2.599 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)c2cccs2)CC1 1760264530 RPHJEUHQSVCMEV-UHFFFAOYSA-N 478.622 2.721 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCCO2)CC1 1760267361 JMECZAXOOJTDMG-HXUWFJFHSA-N 487.004 2.545 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2ccccn2)CC1 1760271118 MQBOFCLJKYQUMD-UHFFFAOYSA-N 472.593 2.675 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760285330 CDKJGIWUELTTMK-IBGZPJMESA-N 459.591 2.521 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760325548 QQZOPIGPOPNZPR-UGKGYDQZSA-N 467.618 2.875 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760410796 QXDZINJJNHALSQ-IBGZPJMESA-N 468.650 2.850 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)n(C)c1=O 1760478723 PRFGQTMQNOHGDT-UHFFFAOYSA-N 459.554 2.536 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1760480069 KAKPIJSGZMCVFU-SFTDATJTSA-N 453.568 2.590 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1760523590 CDRUHTPLLSRLKN-IRLDBZIGSA-N 457.550 2.911 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760553165 NICRSFLZVPIETK-GOSISDBHSA-N 481.500 2.862 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760564814 HZQKKISTIULHQM-UYAOXDASSA-N 483.704 2.922 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760567702 KMOPARGBYHTVRX-IBGZPJMESA-N 487.605 2.859 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760568988 ZQSKDKMTSSTHPZ-GUDVDZBRSA-N 485.720 2.882 30 10 JFEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 1760586903 VZVJRNVDCWMVSD-HSZRJFAPSA-N 477.613 2.816 30 10 JFEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1760711391 HTOMHEZLVNKXEZ-NRFANRHFSA-N 479.629 2.956 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(C(C)(C)C)s1 1767087694 FKGKUBUBXXNNQO-MRXNPFEDSA-N 450.572 2.935 30 10 JFEE CN(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1768479081 GYNYMKSSQZXKOT-RTWAWAEBSA-N 456.616 2.613 30 10 JFEE CSC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)CC1 1770458184 AOXHJIJAUKNMSA-UHFFFAOYSA-N 460.629 2.831 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1772567359 VEFULIAWQVJXPE-SIKLNZKXSA-N 457.550 2.563 30 10 JFEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 1861308641 HIZDOIQWEJSNAC-JOCHJYFZSA-N 465.937 2.899 30 10 JFEE CN1CCCc2cc([C@H]3C(C(=O)c4cccc(N)c4)=C(O)C(=O)N3CCN3CCOCC3)ccc21 1862565004 NGDIUNRRFVLUNL-DEOSSOPVSA-N 476.577 2.562 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 1862630791 BMRLXLYOLSDJGN-QFIPXVFZSA-N 467.474 2.927 30 10 JFEE N#Cc1cccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCN3CCCC3=O)C2=O)c1 1863239959 WITYMWUULCPIMW-UHFFFAOYSA-N 459.462 2.671 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@@H]2CCCO2)=C(N)Oc2c1c(CCC)nn2C 1864319971 IRDZKAPZGITJDZ-OXJNMPFZSA-N 452.555 2.927 30 10 JFEE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 1866804954 BABLODBEWOLLCN-SFHVURJKSA-N 463.943 2.918 30 10 JFEE CC[C@@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(C#N)cc1 1866833290 PYJJXROEMFGJNI-ZWKOTPCHSA-N 497.602 2.990 30 10 JFEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155216 BRGXNOQYINYGKT-UHFFFAOYSA-N 473.449 2.579 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC=C)c(CN3CCCC3)cc2=O)nc1C 1870323500 UEAWTZBBIFOWOS-UHFFFAOYSA-N 472.567 2.755 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2OC)cn1CCCN(C)C 1870641340 CILMDEAILUWYNP-UHFFFAOYSA-N 482.625 2.678 30 10 JFEE COc1ccc(CCc2nnc(SCCO)n2/N=C/c2ccccc2C(=O)O)cc1OC 1874220942 MKRAZQNKTQVLMV-OEAKJJBVSA-N 456.524 2.745 30 10 JFEE COc1ccc(OCc2nnc(SCCO)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1874294450 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C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1690592757 HXTCETNZVHAYFD-IBGZPJMESA-N 461.570 2.768 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1690603840 JKMQTCQJRAPPGP-HXUWFJFHSA-N 454.600 2.506 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(N2CCOCC2)CC1 1690611365 JVSSTVGVJNCKCM-UHFFFAOYSA-N 479.423 2.550 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)cc1 1690679415 UCCVPSDUBKPDGO-UHFFFAOYSA-N 497.625 2.599 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC(F)F)C1 1690699617 HEZVAZRUCIHLIK-ZWKOTPCHSA-N 482.553 2.806 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@H](C)C1 1690724745 VYIDKKHFMWTYJX-GOSISDBHSA-N 497.662 2.609 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1691005650 DGANXNDCICQTIA-GBXCKJPGSA-N 459.598 2.865 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1c(F)cccc1OC(F)F 1692781637 GTSYRKRRZNIQFU-XCLFUZPHSA-N 486.520 2.807 30 10 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2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC(F)F)cc2)CC1 1705652946 SQQSOVWPYFOLSY-LJQANCHMSA-N 459.497 2.745 30 10 JFEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705722668 DDGOBEOIMGZRBS-IBGZPJMESA-N 466.007 2.805 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705733175 OJTCIWSWDCQHLG-XMMPIXPASA-N 468.646 2.769 30 10 JFEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705739589 LEVLJCQQFHIFTM-LJQANCHMSA-N 488.658 2.552 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1705779027 RWQRPWMTKKUETI-LJQANCHMSA-N 469.586 2.860 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705896078 BFKOLIPYSKVNEX-CYBMUJFWSA-N 493.431 2.566 30 10 JFEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1705900684 MCAHIUFKCBUARB-IAGOWNOFSA-N 459.620 2.555 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1705910752 LZANJGSCNIQREJ-UHFFFAOYSA-N 466.586 2.574 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCCCCC2)C1 1705917959 ZUXKLSRKYSXGRT-PXDATVDWSA-N 475.634 2.893 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1706746427 AHRJQHAYLQMTNV-XLIONFOSSA-N 490.605 2.511 30 10 JFEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cccs2)CC1 1711294197 BHIKSYQQINIHRD-UHFFFAOYSA-N 493.637 2.885 30 10 JFEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1711594378 HRPRGBXHCSZMHT-GJZUVCINSA-N 479.629 2.765 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(C)(C)OC)c1 1711702068 DZKWLMRBXDSCGI-UHFFFAOYSA-N 477.569 2.981 30 10 JFEE CSC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1712751799 DZOMRNRCFWBTAD-INIZCTEOSA-N 463.629 2.857 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1722282446 YVOQTHIFUSLJOK-FOIQADDNSA-N 453.465 2.881 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1722343633 IQGIKHGEWRPCIU-SANMLTNESA-N 466.630 2.600 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1722364555 LQSYJYOQSCUBGO-HKUYNNGSSA-N 493.029 2.840 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCc1ccccc1 1722409999 MYKSOGODYXBUKP-UHFFFAOYSA-N 452.584 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCCC2(C)C)CC1 1722445792 CWUQHQLQMZBUFD-VWLOTQADSA-N 450.587 2.556 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722495326 GNZACEIWHBQWFC-HKBOAZHASA-N 455.584 2.811 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCC(OC)CC2)C1 1722722639 QLMZRFGWGXPSHJ-JOCHJYFZSA-N 454.619 2.935 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1722731966 SIODMSIYHJBSHF-OAQYLSRUSA-N 495.609 2.676 30 10 JFEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1722737533 JWOBZTISURTTAI-UHFFFAOYSA-N 481.626 2.857 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1728355368 DHVLMOALRNXCDK-QPPBQGQZSA-N 493.656 2.870 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1729798967 CEGSTTHXJTVCDB-VWLOTQADSA-N 494.552 2.735 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](CC)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1740626621 MRZXWEKKNUXUTG-DNQXCXABSA-N 483.682 2.940 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCCC1 1740657132 QKWHZURPZYVMDP-QFIPXVFZSA-N 460.630 2.647 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1c[nH]nc1C 1740671872 QJRPIJYRQQPANH-LJQANCHMSA-N 457.579 2.710 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C)c2)CC1 1740696286 PUZQYYPDEMWXLQ-QFIPXVFZSA-N 480.613 2.698 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1740697825 HLUQLFVNOGTAFR-UHFFFAOYSA-N 491.665 2.919 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1740700756 GWOGPERSLAMQHQ-FQEVSTJZSA-N 499.704 2.673 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1740704330 NRXNGIUKPXLTMW-RXFWQSSRSA-N 463.630 2.816 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740719627 PEGUQMYRRNSLTB-UHFFFAOYSA-N 465.627 2.947 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740721755 SGHIKUHQGMIFCS-UHFFFAOYSA-N 476.606 2.889 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740735920 BBSFSTWKBULIGH-UHFFFAOYSA-N 470.331 2.569 30 10 JFEE C=C(C)COCCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1740799827 XUTMCGOOHYENLD-QHCPKHFHSA-N 465.595 2.580 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc([C@H](C)OC)n2)CC1 1740833110 KZZWRXDNYRLYAX-KGLIPLIRSA-N 454.622 2.503 30 10 JFEE C=CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1)c1ccccc1 1740855186 LWBNRCGUCBANKD-NHCUHLMSSA-N 496.612 2.883 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1740905281 QRYVQCMDSTUNOT-IBGZPJMESA-N 461.655 2.998 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1740914611 VVQQUAJGQXEMIN-WOJBJXKFSA-N 460.600 2.808 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1740958106 IISATYHIFLCPGL-FQEVSTJZSA-N 469.977 2.674 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(F)(F)F)CC1 1740964944 XTCIFBDFPPIMIJ-UHFFFAOYSA-N 453.465 2.947 30 10 JFEE C=CCNC(=O)Cn1c(N2C[C@@H](C)S[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965168 MAYUOAPKWDMPDC-VQHPVUNQSA-N 464.636 2.681 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(S(=O)(=O)CC)CC2)cc1 1740966346 LGIVRKXAHHOWJB-UHFFFAOYSA-N 468.583 2.752 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nncn2C)C1 1740973982 AJOQHJVTTXOJCS-CQSZACIVSA-N 462.327 2.805 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C1 1740980618 QTFOIYAQVNMHLM-AKHDSKFASA-N 474.606 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1740993134 TVIXDTIWUOTUSE-FQEVSTJZSA-N 462.591 2.862 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](CC(C)C)N(C)C)c1 1748693047 WPRXHYZMNBTHIC-QFIPXVFZSA-N 462.602 2.711 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748808177 APTQZPXGQNEAOT-FOIQADDNSA-N 499.406 2.634 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1748810164 SPTOEILSSOKQIV-OAQYLSRUSA-N 495.605 2.813 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748823714 AHTIUVPPIYYXMN-QGZVFWFLSA-N 488.664 2.714 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccccc1 1748857855 GNGYNDXXQOTMHO-HFZDXXHNSA-N 479.581 2.567 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1748887119 UFAAOAYYRWMYKL-UHFFFAOYSA-N 469.593 2.961 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CCc1cnc2c(Cl)cnn2c1 1748964233 APYXGMDGSQMLDI-UHFFFAOYSA-N 455.975 2.955 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCOC2)CC1 1748999962 IDORTVPVBLQHFJ-UXHICEINSA-N 458.607 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NC(C)C)CC1 1749006696 XKIPPAYFXBJLPX-UHFFFAOYSA-N 477.396 2.742 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749024473 ROMFKIRLWYDAII-QFIPXVFZSA-N 483.642 2.824 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1749024597 VXJIWPQWIRNRGQ-QGZVFWFLSA-N 480.562 2.540 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749050183 XXIDMUQJZOLMOD-KSZLIROESA-N 463.629 2.711 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)CN1CCOCC1 1749056915 YNLVVOMLVKTTJZ-KBMIEXCESA-N 453.587 2.923 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H](C(N)=O)C1 1749139090 BFTDSHMROMWURR-SELNLUPBSA-N 469.586 2.939 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(c2nc(C)no2)CC1 1749175995 VZCRURCZSNWNOA-UHFFFAOYSA-N 471.587 2.847 30 10 JFEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749184372 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C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1359257150 AXKMAPVFVMMKMJ-QHCPKHFHSA-N 475.597 2.723 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccc(F)cc3)CC2)C1 1359313808 ROULHEGYDIZNIG-APWZRJJASA-N 463.579 2.541 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1359329863 XJRAUYXQSPYVAW-FQEVSTJZSA-N 489.642 2.628 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CCOC)C2)CC1 1502339773 BWMCMGDXIPPZHJ-YADHBBJMSA-N 465.646 2.953 30 10 JFEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)C12CCC2 1502942098 CGCSKBAPNBZLMV-VQTJNVASSA-N 472.615 2.540 30 10 JFEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2CCOCC2)c1 1505316741 ATZZSDBCDSYLKS-SFHVURJKSA-N 462.476 2.748 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2Cl)cc1 1505319621 DFHWBXCRPXSYNY-SFHVURJKSA-N 465.901 2.585 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCC[C@H]2C)c1 1507548142 PGQURYKZBMMLLM-DWXRJYCRSA-N 480.613 2.804 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCOCC2)c1 1507550378 YQPAHSKKXAVWAA-SFHVURJKSA-N 493.999 2.770 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507628220 HFENYXAKFLVSMW-OAHLLOKOSA-N 481.416 2.759 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1507630433 YRPWRTUGRXJDMD-ZHRRBRCNSA-N 474.583 2.680 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(S(C)(=O)=O)CC1 1507680607 JJZNZDNYDHBAOM-UHFFFAOYSA-N 455.353 2.883 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCOCC2)CC1 1507719731 FFCFBDYOKZJUJC-UHFFFAOYSA-N 450.406 2.951 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507745952 HDAAVTVNQIDGRV-GOSISDBHSA-N 494.621 2.840 30 10 JFEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1507749157 WHXJTTCVUOJERW-QGZVFWFLSA-N 457.600 2.774 30 10 JFEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1)c1ccccc1 1507853918 HAUFCPWYVJYGSN-UHFFFAOYSA-N 490.612 2.510 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCN2CCCO)CC1 1507878849 ZNYZPFQMIQVZCK-HXUWFJFHSA-N 471.602 2.974 30 10 JFEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508051972 WHPIDRIHZQKDQA-INIZCTEOSA-N 451.506 2.564 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C[C@@H]1CCOC1)C1CC1 1508091105 RUXFGEDFHKEDCD-RBUKOAKNSA-N 488.633 2.700 30 10 JFEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1513902171 FNTQRWBJPWCPLO-JOCHJYFZSA-N 451.619 2.786 30 10 JFEE CCN(CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1515502461 AMXYGYWZYVLSAN-GOSISDBHSA-N 465.581 2.746 30 10 JFEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 1525049944 HRGGVKOEZYIZKA-SFLZPUPLSA-N 458.511 2.862 30 10 JFEE CC(C)(CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1Br 1536159819 FRRVPAMZPAYJLK-UHFFFAOYSA-N 450.358 2.582 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1538975038 WRDTYEMCAKASPS-TUNNFDKTSA-N 472.659 2.649 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(N2CCOCC2)CC1 1539029001 GEKJTYWWVXMQNU-QGZVFWFLSA-N 474.403 2.942 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539031552 KUIJEDKNTUQOKR-IBGZPJMESA-N 464.570 2.878 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)N(C)C)c1 1539045712 IOPCJSUCARHDGU-IBGZPJMESA-N 470.581 2.523 30 10 JFEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539193486 DDRNNPXCPJYUFB-LJQANCHMSA-N 453.591 2.999 30 10 JFEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1539202992 MJXUGLCMQSJVMA-NRFANRHFSA-N 470.643 2.852 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539306350 GZZWARLBYCWIGR-KRWDZBQOSA-N 466.895 2.720 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1539362158 QUNSZXHIFYPBEH-UHFFFAOYSA-N 463.586 2.687 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1nnc(C)s1 1539416638 QUTBFZQZILCDJP-GOSISDBHSA-N 489.646 2.881 30 10 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C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1540870108 FCDFHRJUBYEYBR-NRFANRHFSA-N 450.543 2.741 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccnc2)C(C)C)C1 1540893188 YLLLJIJNMPLVMF-NJYVYQBISA-N 459.616 2.796 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(Cl)cccc2OC)C1 1540893290 ZPWZKXMCSXHULZ-HZPDHXFCSA-N 466.991 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1540900758 GZWYSSIVXPKUHU-FQEVSTJZSA-N 457.531 2.658 30 10 JFEE CCc1nc(C)c(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(CCC#N)CCOC)o1 1546361736 HALDRMZLSBUPPI-UHFFFAOYSA-N 452.515 2.990 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccnc2OC)cc1OC 1547957087 HQGHAAQHTKXXOS-SFHVURJKSA-N 450.499 2.533 30 10 JFEE C#C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccc(Cl)cc1F 1565000766 YFHQTDXVUDPDAZ-SFHVURJKSA-N 459.934 2.750 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(=O)OC)CC1 1588020163 HMMKGOGBHUHZPM-SFHVURJKSA-N 460.579 2.898 30 10 JFEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1588059775 UTIDJKSIDAPPDI-YLJYHZDGSA-N 476.624 2.561 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588069232 JTBJMKOVQFPSCD-XZOQPEGZSA-N 469.655 2.564 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588069466 OPEAUKDCIMHJIH-GGAORHGYSA-N 499.681 2.833 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C1CCCC1 1588143934 NSMSVCCPTJCVJP-NRFANRHFSA-N 470.618 2.534 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCN(CC)CC1 1588385539 IJTTZPFOTVOQLN-OFNKIYASSA-N 452.603 2.524 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@](C)(O)CC 1588594006 DUFWNTAIZZTGLK-HXUWFJFHSA-N 451.365 2.963 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1589036388 FQTYFASJTXTOBU-HXUWFJFHSA-N 471.627 2.630 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1589172031 XVBAHPOSXMSTCR-NFQMXDRXSA-N 496.656 2.989 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2cc(C)no2)CC1 1589304529 HPBZEUKBLRKGCH-MRXNPFEDSA-N 469.384 2.529 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589434725 RSWXOXSQRQMZQJ-QGZVFWFLSA-N 457.419 2.854 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1589503438 CTFVQTZFCQYEPJ-NQIIRXRSSA-N 459.978 2.875 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1589505038 KNZSDRPXAMAHQW-SVMVAKDDSA-N 469.586 2.906 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589514888 JITQIHKHTRLVDI-PGRDOPGGSA-N 489.642 2.843 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1589529160 LOKXCRFDIJTTIH-SXLOBPIMSA-N 451.637 2.635 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1589559462 RSQFDWZHQSBCIC-LSWJPFSZSA-N 498.628 2.975 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1594430982 SLNSKXRJARTMCV-QFIPXVFZSA-N 450.587 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463.567 2.996 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@](C)(O)CCOC)CC1 1690113495 LDWHYYKSLPMXJW-VWLOTQADSA-N 480.638 2.920 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCOC(C)(C)C)CC1 1690152759 WZTHPAGYCBFUDM-UHFFFAOYSA-N 457.550 2.777 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 1690158067 WJWRPJXVWHSHEQ-GOSISDBHSA-N 462.417 2.595 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1690228410 WLWNLBIPVANTMX-SFHVURJKSA-N 484.439 2.840 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690250723 KRQAXPWBCNIVNN-AVRDEDQJSA-N 454.531 2.926 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCC1 1690561094 CGCWCRRATJTWAO-UHFFFAOYSA-N 475.597 2.867 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1690725720 ZUIZSVZVFZOBGT-DENIHFKCSA-N 467.595 2.831 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC[C@H]1CO 1691005654 DGANXNDCICQTIA-YKSBVNFPSA-N 459.598 2.865 30 10 JFEE 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1595745652 UYEPSWSGTHRIGY-OAQYLSRUSA-N 452.559 2.987 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1595784496 GXXPMHASKPSGKT-HXUWFJFHSA-N 460.648 2.966 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)C2)CC1 1615881870 HUVYIBJSYMCEKR-HXUWFJFHSA-N 451.619 2.706 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN(C)CC(F)(F)F)CCOC1 1616223453 FSCWLGLBCLBDNU-UXHICEINSA-N 458.529 2.944 30 10 JFEE CCOc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c1OC(F)F 1616437830 DHEFGEYEWGDQGP-GOSISDBHSA-N 487.511 2.917 30 10 JFEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1618526254 DSSVZBVAUUFXSI-WMLDXEAASA-N 480.491 2.657 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)CC1 1644281871 OMSWQZAMOWXLON-QFIPXVFZSA-N 457.621 2.749 30 10 JFEE C#CCC1(NCCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CCOCC1 1648363784 HJBYIKHPFIGHED-UHFFFAOYSA-N 453.992 2.615 30 10 JFEE CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 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C=CCSCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690752634 NEOPSJZQQGQETH-FGTMMUONSA-N 491.662 2.524 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC12CCCCC2 1690841818 BAKGYXWNJHHNEB-UHFFFAOYSA-N 466.586 2.587 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)F)C1 1692850767 AOBUQBUQWMNZJF-QFIPXVFZSA-N 454.485 2.642 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1695979782 FYMSIOYZUFGUAP-HKBOAZHASA-N 495.584 2.912 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1705477595 QDKFWWHFXQALIV-JFIYKMOQSA-N 466.007 2.953 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1705481157 AQNWMWOHUFVMCM-RXVVDRJESA-N 499.662 2.942 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705485068 CHZVZZFZCDYLJA-YLJYHZDGSA-N 477.573 2.778 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@@H]2C)c1 1705504305 SIALKVOJLNIHAX-ZVOVDXHFSA-N 481.597 2.659 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H](C)CN2CCOCC2)c1 1705508266 SGFBNHULOQQTEK-HXUWFJFHSA-N 492.649 2.955 30 10 JFEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705518775 ROVYWIAXEOXDOK-XUZZJYLKSA-N 478.641 2.670 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705538988 GQIYAWZNNISDDG-AREMUKBSSA-N 483.588 2.763 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1705563668 CBSUKYHKPRMVJQ-OAQYLSRUSA-N 481.622 2.942 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705572726 LSCIDKPSIOHQKS-SQJMNOBHSA-N 481.984 2.663 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(Sc2ccccc2)CC1 1705628881 ROMCCTCPTSOYNV-SFHVURJKSA-N 460.625 2.591 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705681009 LCKXOGGKDLMYIN-IBGZPJMESA-N 499.498 2.906 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705703235 SAWMNOWVGMBFAA-XXBNENTESA-N 491.633 2.897 30 10 JFEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(CCO)Cc1ccc(OC)cc1OC 1705724473 QBXJOLDOQCFKBL-UHFFFAOYSA-N 455.515 2.598 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C[C@H]1CCCO1 1705736417 QXYCWEKJYXTLHX-GOSISDBHSA-N 452.559 2.790 30 10 JFEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705805414 GPALBHNOIYYJNQ-GOSISDBHSA-N 463.579 2.788 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705946575 LFICVZUCXOICII-IEBWSBKVSA-N 466.604 2.816 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1708342510 FRNVWSNISIJALN-BXKMTCNYSA-N 451.575 2.608 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCc2ccn(C)n2)c1 1722309111 JDOOLAONPUFVDC-UHFFFAOYSA-N 454.538 2.681 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1722316723 LWGBHSJJCORAKF-LEWJYISDSA-N 457.600 2.538 30 10 JFEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722320900 OIIJDUPIFVRKEZ-GOSISDBHSA-N 482.976 2.846 30 10 JFEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722326164 RBWRWKIFSCIXMN-MJGOQNOKSA-N 454.531 2.634 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1722359661 PJBQJLNNDCCEJO-GOSISDBHSA-N 486.579 2.602 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722370098 LVEXRVUVHNMHLP-NRFANRHFSA-N 486.638 2.796 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCN1CCOCC1 1722387048 FAYWOOBWLAEIII-UHFFFAOYSA-N 462.598 2.723 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1722405726 GJXBAPVPGDTCHN-GOSISDBHSA-N 455.559 2.689 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1722442895 GYBQZXRWNOJUIQ-UHFFFAOYSA-N 496.612 2.834 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722462646 PNNZLKCTOLJSLX-QHCPKHFHSA-N 455.584 2.871 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722494604 QLDFPISCJNDLDA-PNBKFKSVSA-N 452.397 2.820 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1722511363 YLWWMKVTGUVGJG-GMAHTHKFSA-N 473.643 2.630 30 10 JFEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722522773 BFCIJAROILETAK-UHFFFAOYSA-N 499.641 2.672 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1722581179 HYGMJSYIDMCFAI-UTKZUKDTSA-N 493.605 2.620 30 10 JFEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1722624908 LANOWZGDUSUKBR-GOSISDBHSA-N 452.559 2.883 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1OCCC1(C)C 1722655630 PAAKGEGIBGNUDZ-XLIONFOSSA-N 472.615 2.768 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1724255155 AIFWTYQLZBDWHH-ZEQRLZLVSA-N 456.566 2.798 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1726829046 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30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ncc(C)s2)CC1 1359228133 URXLWNJRGWASNI-GOSISDBHSA-N 465.645 2.922 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1359272704 ZHWIFFVSUNXPJM-UJQZNKFNSA-N 465.620 2.676 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1359299095 VDBHMVHZAZCUPF-UHFFFAOYSA-N 457.538 2.870 30 10 JFEE C=CCOc1ccccc1Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359311079 PLCXFXBMUPGGMP-YKSBVNFPSA-N 490.626 2.555 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359328478 FGWLPSIALOTFQA-UHFFFAOYSA-N 472.493 2.836 30 10 JFEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1)C(=O)OC 1448493187 HIKJGFAMQOBXMW-DYESRHJHSA-N 454.523 2.561 30 10 JFEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)cc1 1477761994 FHGYNNXCKIYEKV-LJQANCHMSA-N 450.539 2.973 30 10 JFEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1498075568 GHEGTZRQRDBNCK-QFIPXVFZSA-N 461.563 2.686 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30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2c(c1)OCO2 1690719055 GRINBEUJBFVBKK-UHFFFAOYSA-N 475.958 2.959 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(c2ccnn2C)CC1 1690725563 URZKMWIBXGRRPH-UHFFFAOYSA-N 484.626 2.596 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1690729294 LBRYOVXLOUGFTM-LJQANCHMSA-N 489.623 2.801 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1705561339 PFWSRBQVPUOUFK-IBGZPJMESA-N 466.954 2.540 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705562591 GDXQIJLZTPHLRK-DENIHFKCSA-N 457.644 2.865 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705576400 KNUSCDZJBZCWLK-NRFANRHFSA-N 483.016 2.623 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCCCO2)CC1 1705632358 NIRDWSFHPCCKLD-QFIPXVFZSA-N 450.587 2.862 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705695309 IAIFDBVAAILHMW-VJBWXMMDSA-N 499.637 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2.951 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1286490236 OGBCCBKFBYYFRA-IFMALSPDSA-N 450.587 2.757 30 10 JFEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286500278 UWRNKYTWDJBKQX-XMMPIXPASA-N 469.611 2.968 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286500541 YNPNJSNUNOLOIF-UZUQRXQVSA-N 458.584 2.713 30 10 JFEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1286541700 LACADIDUJAAUMM-INIZCTEOSA-N 486.411 2.704 30 10 JFEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286701166 WHJXRGIDJGKJCZ-FXAWDEMLSA-N 461.588 2.522 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1286818791 OEXSQVNEOFDGAK-HXUWFJFHSA-N 453.568 2.943 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(N(C)C[C@H](C)C#N)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 1286862108 QCTROMUKJYLUOQ-AFYVEPGGSA-N 473.622 2.903 30 10 JFEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1291217532 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C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1301410420 FSEDVSKRCRCJSZ-NRFANRHFSA-N 462.554 2.807 30 10 JFEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301445316 FKAHQBKLLKWSJJ-UHFFFAOYSA-N 456.978 2.725 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1301472796 OGJRZMRJRNBUNS-KRWDZBQOSA-N 456.616 2.554 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 1301490370 RUDZAMKWOCRWQC-SFHVURJKSA-N 458.994 2.974 30 10 JFEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1302087367 GLPZICYNKFOVIC-KRWDZBQOSA-N 474.606 2.880 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCN(C)c3ccccc3)CC2)c1C#N 1304730484 FGYRSBLQQJATEZ-UHFFFAOYSA-N 461.618 2.853 30 10 JFEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)ccc1OC 1311927389 AVJKNXLZCACURA-QZTJIDSGSA-N 451.527 2.553 30 10 JFEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@@H](C)OC)n2)C1 1314990945 GNCPVILYOARNBT-QAPCUYQASA-N 465.583 2.991 30 10 JFEE 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2.701 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359079995 CBIJMSQZFYIXKA-HNNXBMFYSA-N 455.378 2.876 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359152949 OHFOJAANDNSYFW-QGZVFWFLSA-N 456.971 2.791 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C)c1ccccc1 1359194892 CXFGGGFTRJZAPG-BWAGFHJFSA-N 471.627 2.597 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359209984 GFYPBNNCQHVLKI-XMMPIXPASA-N 499.641 2.647 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1359261041 VATSDGHBMIODRX-INIZCTEOSA-N 477.484 2.505 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](c2nccs2)C1 1359287791 VZTYKNBQULEZLH-HOTGVXAUSA-N 462.576 2.807 30 10 JFEE CC(=O)N1CCN(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1359402538 DTUGQEUYLOTGGQ-XMMPIXPASA-N 486.020 2.805 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1359572907 BMDALCSAPDVKBE-AWEZNQCLSA-N 450.902 2.991 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)c1C 1360872957 CWUOPHGKMAOBMG-QVKFZJNVSA-N 450.465 2.858 30 10 JFEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)C1=O 1448516109 JBQDEXHEIUIPPR-OAQYLSRUSA-N 457.552 2.745 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ncc(Br)cc2O)n1 1464711742 JINYOMRAKGNOSS-UHFFFAOYSA-N 453.347 2.916 30 10 JFEE C#CCCCn1c(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1507599433 PEUCXPHEKVNNRS-VWLOTQADSA-N 467.618 2.892 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1507686602 DHUBSEQXCPBZBZ-UHFFFAOYSA-N 475.597 2.954 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nnc(CC)s2)CC1 1507721905 MWQRHDSISSUHAI-MRXNPFEDSA-N 455.563 2.775 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1507725767 ALYOFTPMIGDRET-QHCPKHFHSA-N 474.657 2.806 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCCC2(C)C)CC1 1507731905 DVBFECKYQUYKCY-RUZDIDTESA-N 453.587 2.562 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCC(F)F)CC1 1507734781 XXOJGODHRPULBS-UHFFFAOYSA-N 483.523 2.583 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507748146 MUCAOXBSQNQOTH-UHFFFAOYSA-N 496.681 2.891 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1CSC 1507748775 QPDFKCFPQLMYTR-SFHVURJKSA-N 479.697 2.894 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](COC(C)C)C1 1507757559 ZZUQJRWYEFJIRC-HXUWFJFHSA-N 454.600 2.513 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507792825 BAAXKMKPUODEKQ-HLIPFELVSA-N 463.579 2.583 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507805369 PEOFFZQMQPEADC-GHTZIAJQSA-N 479.672 2.772 30 10 JFEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OC)CC1 1507839446 RHWVYNWKGBWPCR-UHFFFAOYSA-N 451.531 2.816 30 10 JFEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507858661 HHGCOOZDAGOUKL-UHFFFAOYSA-N 454.940 2.514 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCN(C(C)C)CC2)C1 1508117570 OKFRAFTTZLBDJB-OAQYLSRUSA-N 470.574 2.870 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2nccs2)C1 1508117577 OKYVJBBEVOOXIW-SFHVURJKSA-N 488.639 2.676 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508143440 GUUUVANORKMUHK-FQEVSTJZSA-N 499.616 2.504 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1508146637 ACQOOJYOUHVIEQ-UHFFFAOYSA-N 467.643 2.919 30 10 JFEE CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1508449771 CKKQKZCFRJVFLB-WOJBJXKFSA-N 498.653 2.630 30 10 JFEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1509836888 DNJKXQNUEYOESF-UHFFFAOYSA-N 468.602 2.845 30 10 JFEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1516807816 GYEIOOPZZKGXNE-UHFFFAOYSA-N 486.001 2.626 30 10 JFEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1517817462 DLGJYYJSSNJQSF-JOCHJYFZSA-N 473.585 2.728 30 10 JFEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1521114433 CQZMJMHPEBBBEL-MRXNPFEDSA-N 469.489 2.867 30 10 JFEE C=C[C@@H]1OCC[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 1530618994 JCCKHHNUJJVBAJ-GJWHOYOLSA-N 451.888 2.992 30 10 JFEE C#C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1537528160 MOIQAAKAJXTWKC-HSZRJFAPSA-N 451.592 2.821 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1538964642 KAXCKJMTHACGLE-SFHVURJKSA-N 459.554 2.914 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@@H](C)C1 1539025232 GPWSFBVDSPKEQI-RPWUZVMVSA-N 463.674 2.833 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)c1 1539043397 PYOVKIATOYQQEI-RBBKRZOGSA-N 499.637 2.586 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1539230720 POHGSPSDMUHQSH-KZNAEPCWSA-N 464.538 2.761 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539231239 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10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1539758642 QBVGZHGCLHATET-UHFFFAOYSA-N 472.634 2.612 30 10 JFEE C=C(C)COCCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C 1539759679 KLDZTKPKTWNWHX-IBGZPJMESA-N 453.653 2.999 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1539803155 FRWZNDUBRZEQPT-SFHVURJKSA-N 470.039 2.552 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1539920861 MCPFICCKEUSCGA-HXUWFJFHSA-N 492.665 2.957 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1540146767 JHIHFJIQXYCYEM-INIZCTEOSA-N 486.685 2.648 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)nc2ccccc12 1540189418 SPYGBCTYLKJJBJ-UHFFFAOYSA-N 450.543 2.758 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1540866997 HJKDFHGOHIDGKH-GOSISDBHSA-N 475.519 2.829 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)C1 1540892558 NRLLZJGCNKNGGU-JMOWIOHXSA-N 461.651 2.918 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1540907145 MRFYZFGGGNMKHA-UHFFFAOYSA-N 475.659 2.995 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1540907341 SVDLSCZRMIWJNV-NRFANRHFSA-N 475.663 2.737 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC(C)C)C2)C1 1540954708 HOBMKWKAXKMEGE-GGAORHGYSA-N 466.586 2.705 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1541115517 AOXDARZJZRJWRV-HOTGVXAUSA-N 462.645 2.744 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCOC1 1547891352 BIZMJKWQJBTADD-AGILITTLSA-N 472.565 2.684 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1C 1548305058 BLGSTKTUWDSEFY-GOSISDBHSA-N 468.583 2.740 30 10 JFEE C#CC[C@@H]1CCN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1557661175 KGCOEHXHTUIBQO-YLJYHZDGSA-N 452.580 2.985 30 10 JFEE C=CCOc1ccc(C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1OC 1586237296 LJRYZTLSDFNWRY-UHFFFAOYSA-N 450.479 2.689 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nnc(C)s2)c1 1587689811 QTXCZYKUOQCAQH-XMMPIXPASA-N 495.609 2.583 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)c1cc(C)oc1C 1588006739 PMLDRFRAQTXDMA-MHZLTWQESA-N 476.625 2.830 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588040252 KOKVVDWFPXHLKE-MRXNPFEDSA-N 476.505 2.830 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1588058725 BEACVTZDGMASIB-WOJBJXKFSA-N 465.019 2.964 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588059705 SPXIFYOPRYKEIX-SFHVURJKSA-N 490.626 2.568 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CSCCS1 1588128415 KKDFHMUNHHEGAY-GOSISDBHSA-N 478.647 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN(C)C(C)C 1588218995 IJXNHLCAHDTLNX-UHFFFAOYSA-N 459.598 2.868 30 10 JFEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588434038 VFYOIRXICSCSAV-FCHUYYIVSA-N 455.628 2.727 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2c(F)cccc2F)CC1 1588751438 KWHGHHKRVPOBMU-XMMPIXPASA-N 459.541 2.595 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1589116058 CFFPOXHIOYXDCO-NRFANRHFSA-N 472.634 2.579 30 10 JFEE C=C(Br)Cn1c(COCC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1589449491 HDVWSHMHFYBGQI-CQSZACIVSA-N 453.337 2.794 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1589570886 XCWLSHIBMMKJSD-UGKGYDQZSA-N 457.550 2.897 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ncccn2)CC1 1593825897 FPDNMDGXXNQCEG-UHFFFAOYSA-N 463.771 2.915 30 10 JFEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1594803109 NOPHEQLDRMQKAI-UHFFFAOYSA-N 453.635 2.928 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1595442448 LUVMRDQACSZXEK-MRXNPFEDSA-N 450.381 2.963 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1595688825 PCOBLTBXGFYYTQ-PXNSSMCTSA-N 485.585 2.667 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1595905587 NDTGRPDBAGVNKN-AOMKIAJQSA-N 464.636 2.971 30 10 JFEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1598167621 ADNKDMNKEXDLPI-MPGHIAIKSA-N 457.390 2.557 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccnc1OCC(F)(F)F 1614028432 DADSXTRSNVOOOM-OAHLLOKOSA-N 487.490 2.602 30 10 JFEE CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C1 1614308092 CBRRTCTZYZBECV-UYAOXDASSA-N 453.591 2.564 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1614908506 BOQYCGAUZLPEPM-QPPBQGQZSA-N 492.672 2.585 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN(C)c1ccccc1 1616913497 DUIXBVNJTOVUAM-UHFFFAOYSA-N 460.586 2.934 30 10 JFEE C#CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C1CCN(C)CC1 1617453460 CGJKOWHNLCKCQU-SFHVURJKSA-N 451.354 2.754 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)s1 1618382817 JLBIJPMVWMOWQK-OAQYLSRUSA-N 452.573 2.866 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)C1 1618879441 ADEOQPKDHVMGOE-LJQANCHMSA-N 484.626 2.555 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)ccc2c1=O 1631067681 LRZCMCNWUCYQBO-MRXNPFEDSA-N 456.474 2.685 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2C[C@H](N3CCOCC3)C[C@H]2C)n(Cc2ccc(F)cc2)c1C 1654421377 ICHYBGMQDLHVOU-VGOFRKELSA-N 453.562 2.898 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CCC)c1 1689870427 NOQXDNRHMQFYAF-FGZHOGPDSA-N 477.613 2.550 30 10 JFEE C#CCCCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1689875596 WTIOJYZKLBGCJT-AKHDSKFASA-N 479.647 2.722 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1689892232 BAYNQYVMZMOCHC-IERDGZPVSA-N 493.580 2.816 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1690033456 XSNUVFLECHLPNO-QGZVFWFLSA-N 465.945 2.746 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](OC)C(C)C)CC1 1690152375 IVGJSLDZKQZXNH-OAQYLSRUSA-N 457.550 2.633 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1690245159 DLBSVQWUWCHNCP-YJMBLLCNSA-N 489.642 2.790 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCN2CCC)C1 1690685172 XDYWVFBAMWUWGR-PMACEKPBSA-N 453.591 2.971 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1cc(Br)ccc1F 1690993284 HVBPVIQVAXSJHM-STQMWFEESA-N 487.399 2.628 30 10 JFEE CC(C)NC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1692562659 DMBUDSHQDMXTTE-UHFFFAOYSA-N 472.597 2.571 30 10 JFEE Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)s1 1693335414 BEPYPJXHLOPXRB-SFHVURJKSA-N 486.623 2.668 30 10 JFEE CN(C)S(=O)(=O)c1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1696622833 CPKLAVBOTGIMFP-DEOSSOPVSA-N 479.610 2.693 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1697044664 GBDHENPIKBPQJW-KRWDZBQOSA-N 490.511 2.976 30 10 JFEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncccc2N(C)C)ccc1OC(C)C 1697255529 BTYAGPAILMJTHF-IBGZPJMESA-N 477.569 2.979 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CCCC1=O 1705475563 MWVWWCIIPMIDGW-SFHVURJKSA-N 450.587 2.825 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1705478924 HBZHFJIKIZJQIQ-SFYKDHMMSA-N 459.616 2.523 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1705492034 KSZXCUTUEMOFFI-QUCCMNQESA-N 496.612 2.763 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1705492524 RVOGVODIIJWLJB-PMACEKPBSA-N 474.650 2.961 30 10 JFEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705514757 HXYZJBMJTXLTAL-QHCPKHFHSA-N 457.582 2.801 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCN1CCC[C@H](C)C1 1705545256 UQKDNZZCEJUJSD-FQEVSTJZSA-N 472.659 2.777 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567245 VAIICWAWYDZFMD-FYYLOGMGSA-N 485.654 2.715 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(CC(C)C)C1 1705581243 YTZVYLUBQOQNFM-NRFANRHFSA-N 481.670 2.679 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ccc2c(c1)OCO2 1705614363 GJTFCYAYHCMYHD-IBGZPJMESA-N 499.568 2.854 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCC(=C)C)CC1 1705645568 XWKVEMWBWHPBOR-UHFFFAOYSA-N 489.418 2.605 30 10 JFEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1705681690 AUHYIQVIQBKWKA-UHFFFAOYSA-N 456.348 2.979 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1705694755 FBBUKCFUXPXQRK-PBEJRMEISA-N 455.559 2.658 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1705694913 UMIWQGFRPDITHQ-RXVVDRJESA-N 464.574 2.615 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1705700852 ZCWRGJHFLCTUKH-GJYPPUQNSA-N 466.007 2.846 30 10 JFEE C=C(C)Cn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728382 IOVRRFKETHINJJ-WIOPSUGQSA-N 455.603 2.750 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)Nc1ccc(F)cc1 1705844190 XNIQBIXMGAVREG-GOSISDBHSA-N 474.537 2.987 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1Cc1ccc(C)n(C)c1=O 1705857581 XOBFLPXHPNAUOW-UHFFFAOYSA-N 457.538 2.992 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@H]1OC 1705877299 BGSNXVRNBYFWMQ-FGZHOGPDSA-N 453.587 2.801 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ncc(Cl)n1C 1705901542 OPTICRFXRKOFHB-UHFFFAOYSA-N 466.933 2.926 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2nccnc2C)C1 1705925031 JSYTXFGNNFYXJL-CTNGQTDRSA-N 499.616 2.709 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C1 1705925060 KANKIXJCYDBHHJ-FPOVZHCZSA-N 460.600 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2cc(F)cc(C)c2C1 1705935573 VXVTVWMNISDKCM-UHFFFAOYSA-N 455.559 2.875 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(CN2CCCC2=O)cc1 1722298693 HVCNDSRGYVLTOG-SFHVURJKSA-N 476.606 2.898 30 10 JFEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 1722309964 GJXVJTRQJFUNRI-UHFFFAOYSA-N 460.376 2.806 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722358521 CMEQIIQLPYTCNM-AZUAARDMSA-N 459.616 2.594 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1722359596 OYYNATXLENEXSK-HNNXBMFYSA-N 499.456 2.989 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722369768 GOVWIDYBBVVDKT-ZCNNSNEGSA-N 472.611 2.929 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1722398685 ABCBUVBXJAXEQA-UHFFFAOYSA-N 452.562 2.898 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)c2ccccc2)CC1 1722430285 AAADPYFULPIXCC-BKMJKUGQSA-N 466.630 2.599 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722522342 KDOVHQMPDZNUAM-RTBURBONSA-N 496.678 2.734 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2c(C)cccc2C)CC1 1722584067 XKVZVRXDLPTOCI-NRFANRHFSA-N 489.642 2.709 30 10 JFEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1722689164 GSLCKVUNFLAQRG-OAQYLSRUSA-N 462.392 2.865 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722741140 ATAZNTDWKWYXSH-QFIPXVFZSA-N 455.676 2.788 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(=O)NC)CC1 1722750232 MBBCTYUJUJKUPH-UHFFFAOYSA-N 491.683 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)CCn1cccn1 1722750683 MTLJCQKEVXOSNC-UHFFFAOYSA-N 485.433 2.703 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1C 1724063811 CGUPBKHVTOJGKE-CYFREDJKSA-N 487.626 2.715 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@H](C(F)(F)F)O1 1726661714 CASGZNRMVUPWFN-VVFCZOMOSA-N 453.490 2.841 30 10 JFEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1729442046 GAYNYIWCMBCAGF-UHFFFAOYSA-N 453.528 2.664 30 10 JFEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740575471 RZHKLIZPOBNPLG-OAQYLSRUSA-N 463.630 2.637 30 10 JFEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740585079 NVUNUWFTBOHXTL-QFIPXVFZSA-N 492.624 2.719 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1740620594 FFYMVCLLWQAWQZ-QGZVFWFLSA-N 493.511 2.857 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C(N)=O)nc1 1740682209 NLTZBWUQSBSQTI-UHFFFAOYSA-N 464.595 2.904 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCC2)CC1 1740695674 ASFFRMKSWMQYQW-LEWJYISDSA-N 470.618 2.698 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@@H]2CC)CC1 1740697826 MSKIUSSLVKOYTA-PZJWPPBQSA-N 455.628 2.930 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2ccc(OC)c(OC)c2)CC1 1740705495 HOCGQLMWKMBPES-UHFFFAOYSA-N 453.587 2.702 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740711775 RGVVDVLLCAPODY-UHFFFAOYSA-N 499.637 2.786 30 10 JFEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1740715053 BSECXFFJCPOSII-QGZVFWFLSA-N 452.584 2.827 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740720323 VAOJCOLRAMFKBI-HKBQPEDESA-N 456.641 2.880 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1740732193 UYRFWVYPXVFWHX-NZQKXSOJSA-N 489.667 2.537 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740756812 QUZGUCJCYPPQCO-FGZHOGPDSA-N 473.643 2.960 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F 1740760922 LMHYGMNDXIKRHB-MDZRGWNJSA-N 451.522 2.994 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1740768840 YERHUGWZYURHQF-CVDCTZTESA-N 455.559 2.515 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1740774106 MCAWDCUUGAYYLN-HXUWFJFHSA-N 489.621 2.880 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740796313 AYFCKGUMSNJIPJ-IBGZPJMESA-N 492.418 2.733 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1740843190 APVUOOFTWSXMKB-KRWDZBQOSA-N 464.611 2.956 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740951958 QSQAHOOQUXKOJA-PXNSSMCTSA-N 496.591 2.984 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740953148 WZBLOJGVPDECDM-RTWAWAEBSA-N 490.612 2.520 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740957046 ZMJAULJXFFEVDO-SFHVURJKSA-N 492.455 2.770 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1741801929 HOHWSIJTVIIRMI-LJQANCHMSA-N 486.580 2.770 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1748641619 ITLMWWRBXWXTNU-FQRUVTKNSA-N 465.598 2.947 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1748730507 MKSUWRUVAZGSGM-UHFFFAOYSA-N 479.629 2.551 30 10 JFEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1748745630 VUAXFQYRMIDKRV-UHFFFAOYSA-N 461.570 2.523 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748809772 WAKMQSPRJGLICL-HXUWFJFHSA-N 487.626 2.659 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748815038 MXQPAFBQMQTPBK-JAXLGGSGSA-N 471.627 2.726 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC1CCOCC1 1748886313 DQBWMJGSTUTNMB-UHFFFAOYSA-N 458.566 2.862 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cccc(C)n1 1748887138 VBLJBISDMIMKNI-UHFFFAOYSA-N 451.534 2.601 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1748929975 UYLONTIRCHMNOE-QGZVFWFLSA-N 478.594 2.571 30 10 JFEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1748937163 DDEYGBVFCZDTGD-UHFFFAOYSA-N 471.558 2.619 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@]2(O)CCN(C)C2)CC1 1748976965 BPJXSZAPKWNONZ-CPJSRVTESA-N 487.048 2.510 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)COC)CC1 1749006214 KHOJZAAXCLPEEE-INIZCTEOSA-N 459.978 2.855 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](OC)C(C)(C)C1 1749039202 QMCKNDKTORYMGJ-IBGZPJMESA-N 455.632 2.680 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749140816 SUNNMGMIWBJFCU-ADAARDCZSA-N 491.633 2.882 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CCC1 1749147902 SSQKWPMJCCKCDF-UHFFFAOYSA-N 494.687 2.916 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1749154094 LKZNUKIWUGIVLX-UHFFFAOYSA-N 461.526 2.504 30 10 JFEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1749421628 XCEXKAWMUXMYKE-NHCUHLMSSA-N 453.635 2.876 30 10 JFEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1749578583 CQSUKBJAHLSXAF-SFHVURJKSA-N 453.513 2.581 30 10 JFEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1749633722 JHNLZGFSIQCBMI-UHFFFAOYSA-N 465.602 2.969 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1749664504 PJDOJSGXBWUCSL-KRWDZBQOSA-N 470.574 2.749 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 1749669788 NPMAYLJSVMIMFW-KSZLIROESA-N 462.595 2.514 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(CC)s2)C1 1749719105 NWCJQPDAFJRIEA-GOSISDBHSA-N 451.556 2.972 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(c3nc4ccccc4o3)CC2)nnc1C(C)(C)C 1749739863 LLGPSNDBYPOZOX-UHFFFAOYSA-N 458.588 2.644 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1760185811 DVYADZZBNOFYEZ-QFIPXVFZSA-N 469.655 2.552 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1760270628 SXHDZXVKHOTULG-BVZFJXPGSA-N 453.562 2.525 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)N1CCOCC1 1760291786 CBGDTXJBLVQSPY-RUZDIDTESA-N 467.570 2.592 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760320119 WIWHWMNUDLZDCN-ZIPUMODLSA-N 488.585 2.802 30 10 JFEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1)c1ccccc1 1760362687 ROTKKDIWNVRIBN-HXUWFJFHSA-N 451.575 2.776 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N2CCOCC2)CC1 1760381410 LIMCXGMHBRCIDK-UHFFFAOYSA-N 452.559 2.553 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1760381475 NXWVIGQZEVURLV-UHFFFAOYSA-N 474.631 2.652 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1760441004 VTZMVAXIFVRLKF-MJGOQNOKSA-N 451.637 2.524 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCN1CCCS1(=O)=O 1760487266 NGPBNIFXHHHNCD-UHFFFAOYSA-N 458.613 2.554 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760515683 QTUXJSVVOQABFD-AOMKIAJQSA-N 490.402 2.784 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760517808 YRBORSBJBXUFJV-VWLOTQADSA-N 487.601 2.915 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760527858 KNOBWUCAOYVFSH-LJQANCHMSA-N 499.019 2.938 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760528284 XVLBJJQXTHBKAH-SFHVURJKSA-N 457.575 2.952 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1760532971 KLKBFHYTKOXOKD-QFIPXVFZSA-N 489.642 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(Cl)ccc2C1 1760557144 BFVPIMOINQVVDR-UHFFFAOYSA-N 475.018 2.957 30 10 JFEE CCc1nc(CCn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@H](C#N)C2)no1 1764618510 GMQCYNBQTYGYCK-CYBMUJFWSA-N 476.310 2.764 30 10 JFEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1 1766650386 ALGDTDMURFKBAS-SFHVURJKSA-N 458.632 2.951 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)C[C@H](C)O1 1769490708 FLFTVHDDZPXXGM-JTAQYXEDSA-N 468.602 2.558 30 10 JFEE COc1ccc(Br)cc1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1769949153 AAIMWTYZXPHWDE-QGZVFWFLSA-N 455.316 2.888 30 10 JFEE CC(C)(C)OC(=O)NCCN(CC(=O)ON1C(=O)c2ccccc2C1=O)Cc1ccccc1 1772788974 KPPCRUIHQXLRKJ-UHFFFAOYSA-N 453.495 2.768 30 10 JFEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)c1 1862573712 BMYABNMVBQUDKV-JOCHJYFZSA-N 468.506 2.817 30 10 JFEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCCC2=O)cc1 1862591819 OYCYTOAWRSPKQK-QFIPXVFZSA-N 450.491 2.992 30 10 JFEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862609251 IKCWYICAGNLCGK-HXUWFJFHSA-N 454.435 2.981 30 10 JFEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1 1869041755 KSKUIPCGVKQIRW-ROUUACIJSA-N 475.391 2.970 30 10 JFEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2cccc(Cl)c2)CC1 1869929351 HHMOKPIPLZBGMA-IBGZPJMESA-N 460.987 2.896 30 10 JFEE CC(C)C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1870107522 MMMNYTOKEUTNFY-FQEVSTJZSA-N 460.469 2.987 30 10 JFEE CCc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 1870141975 UQNAEOSBGNDEIY-UHFFFAOYSA-N 458.478 2.586 30 10 JFEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN(CCO)CCO 1870368669 WJRVINAVNXJSGR-UHFFFAOYSA-N 454.608 2.718 30 10 JFEE CCCCCCCCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CC(O)C1 1870479670 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COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O 170425893 PZSVFXZJIAWRDV-QFIPXVFZSA-N 486.496 2.908 30 10 JFEE C=CCN(CC(=O)O)C(=O)[C@H](CCN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 757559031 UNHSEIQIFCWZPZ-QHCPKHFHSA-N 465.550 2.945 30 10 JFEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)N3CCc4ccccc4C3)n[nH]2)cc1 1084284323 ZVIAHJKIXRSIMX-UHFFFAOYSA-N 450.524 2.714 30 10 JFEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)c1 1084316344 DYNUEDGHPYLCMZ-UHFFFAOYSA-N 471.543 2.585 30 10 JFEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)n[nH]2)cn1 1084621801 CKASEXQBTQXVBT-UHFFFAOYSA-N 484.527 2.882 30 10 JFEE CC(C)(C#N)Nc1nc(Cl)c(C#N)c(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1 1088733732 CACAMGYMFVGKAU-UHFFFAOYSA-N 454.299 2.880 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1156016329 YQFKASQQVAOVEM-FHLIZLRMSA-N 459.406 2.849 30 10 JFEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc(C)cc3C#N)CC2)c1 1166738980 LALVUOMWGBSFGC-UHFFFAOYSA-N 457.577 2.695 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ncccc2N(C)C)c1 1286310681 FZKHVUGIUQAEQG-UHFFFAOYSA-N 480.576 2.829 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC2(COC)CCC2)CC1 1286490769 RIOQJXUWRVVQMR-UHFFFAOYSA-N 450.587 2.821 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(COC)CCC2)CC1 1286492988 SAAMOQBHDPZSRN-UHFFFAOYSA-N 465.598 2.948 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)N(C)C 1286517107 PRORSCMPMWULQE-HXUWFJFHSA-N 496.431 2.600 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCn1cc(CO)nn1 1286518475 FTJCLXGDVCEMSN-UZUQRXQVSA-N 453.522 2.723 30 10 JFEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286595571 CUZVSWGYCMGNQZ-UHFFFAOYSA-N 465.558 2.533 30 10 JFEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1286606445 QBDJLTNLIHKEFL-GOSISDBHSA-N 452.559 2.883 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNS(=O)(=O)CC)CC1 1286654257 DPNUFPPWZJCAJL-UHFFFAOYSA-N 485.452 2.778 30 10 JFEE C=CCCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286682619 BFHAXGGRPSPQGU-FGTMMUONSA-N 467.636 2.884 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)C1 1286800646 OHGPAJHUQODPOA-TZIWHRDSSA-N 486.592 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286817817 PGKVSOKQXRIJDJ-OAQYLSRUSA-N 485.654 2.870 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286831149 AFSOWRFRGRODSW-VQIMIIECSA-N 466.604 2.816 30 10 JFEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286834659 IDNVOKURXXJQAJ-IBGZPJMESA-N 495.646 2.920 30 10 JFEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1287879159 HIHZOGUENPBTSK-UHFFFAOYSA-N 498.653 2.725 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC1CCCCC1 1288506325 GKDGJGAATBGSFU-KRWDZBQOSA-N 472.615 2.926 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccc2F)n1CCC(C)(C)O 1291194619 ASYHWLRXYOXCQX-KRWDZBQOSA-N 464.549 2.546 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1NCC 1295370679 NRRPFSMDKZHILM-QGZVFWFLSA-N 452.577 2.614 30 10 JFEE CCN(CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1295569614 HBFOZWPXLJBOKS-LJQANCHMSA-N 499.063 2.982 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)c1 1300332118 XJOZEXSRWCSFIS-HJNYFJLDSA-N 494.596 2.667 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCN1CCC(O)CC1 1300446660 OVBLABFHCWQPOW-UHFFFAOYSA-N 450.356 2.763 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300502231 RLAOROMCOJDRSI-FQEVSTJZSA-N 472.611 2.725 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(Cl)s2)CC1 1300733508 WMEILWIJZFJCOI-LPHOPBHVSA-N 478.018 2.731 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1300762455 PYGIOGPVRYJLAE-JOCHJYFZSA-N 467.639 2.990 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1300777438 VWUOYGXOGPLYKG-IRLDBZIGSA-N 469.655 2.943 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)c1 1300842355 QKKQBZIELJBCKI-UHFFFAOYSA-N 451.592 2.568 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301458239 PTNPJQHSMNFNAD-IBGZPJMESA-N 489.646 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301577316 HTWASOBUBXYITA-GOSISDBHSA-N 475.615 2.958 30 10 JFEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1301878455 AGIPBXVBERNMHL-UHFFFAOYSA-N 472.553 2.571 30 10 JFEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1302212057 HXXGIUBRCZZVBQ-UHFFFAOYSA-N 475.553 2.677 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1312879679 HOUFVVFWFJUPSQ-WBVHZDCISA-N 458.563 2.949 30 10 JFEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CCCC1 1314652147 DLZKYQRQSGTXHV-NRFANRHFSA-N 499.685 2.799 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2nc(C(F)F)cc2C(F)F)c1 1356457718 HYWCJJRVHKYSFR-UHFFFAOYSA-N 452.408 2.632 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358898603 WTUPLVOCTDTNLL-QZTJIDSGSA-N 464.549 2.955 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358959817 QJTWZLWFYDJVLK-MRXNPFEDSA-N 477.015 2.687 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ncc(CC)s1 1358972010 QDCGEPZBMXJQSW-UHFFFAOYSA-N 453.593 2.683 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCS(C)(=O)=O)CC1 1359031213 UMRALSQPQDMZTE-UHFFFAOYSA-N 464.016 2.613 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1359281856 LBESVJTYQSYTFU-MRXNPFEDSA-N 497.547 2.865 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CCCO2)C1 1359314933 KJOJQBLNLYOYOF-CVDCTZTESA-N 475.615 2.546 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCn2cc(Br)cn2)C1 1359321849 MTULWWBPQPWEJW-NVXWUHKLSA-N 451.369 2.613 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCN(CC)CC4)c(F)c3)cc2C1=O 1435075629 NPWQGBSGTBDJAG-UHFFFAOYSA-N 450.514 2.680 30 10 JFEE C#C[C@@H](NC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C(C)(C)C 1470054202 YQPCNPVSAIUTCL-DOTOQJQBSA-N 456.406 2.949 30 10 JFEE C#CC[C@@H](COC)NC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1478805881 ZEQONWHZKLJRPM-NRFANRHFSA-N 458.603 2.883 30 10 JFEE CCOc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1OC(F)F 1502884280 FYPWMLGAAGYNBF-ZBFHGGJFSA-N 483.541 2.967 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCC2)n1 1504774148 ARIMGIFHSWHCAH-UHFFFAOYSA-N 464.574 2.899 30 10 JFEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507588555 MXRNWLMNSLVICH-KNKQGSTJSA-N 467.570 2.572 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1507628998 ZEBPLWJWCZIQQN-WMZOPIPTSA-N 479.002 2.735 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(Cc2ccccc2)c1 1507641784 KKQFVJZSYDNZSV-SANMLTNESA-N 458.566 2.685 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1c[nH]nc1C 1507658789 GNOAOQBRLTUSFW-BGYRXZFFSA-N 451.575 2.786 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](CC(C)C)N(C)C)CC1 1507719238 ZTPUXTTVEUBNKZ-IBGZPJMESA-N 476.467 2.778 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(C)CCCO2)CC1 1507740325 LQALRLMTBXFVAB-AREMUKBSSA-N 465.598 2.954 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(C)C)C(=O)C1 1507833188 ANPMLMBACLMRJX-UHFFFAOYSA-N 465.646 2.524 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507874679 KHARTEOGFZYRIC-OFNKIYASSA-N 467.058 2.676 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)c(F)c2)CC1 1507901578 BPLKHYYGECVPRF-HXUWFJFHSA-N 481.569 2.534 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C)C1CC1 1507987905 MUKQRLWXPHMEJS-SFHVURJKSA-N 469.615 2.894 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCS1(=O)=O 1507996449 HMXGPGDPIACMSC-PZJWPPBQSA-N 460.600 2.951 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1508076129 XSYXXLCKYVDFNW-QFIPXVFZSA-N 463.586 2.741 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1508146919 DHSTZEVWZIWHCJ-UHFFFAOYSA-N 452.588 2.614 30 10 JFEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)N(C)C(=O)OC(C)(C)C 1510017490 DLPLWALOCBVWEL-YLJYHZDGSA-N 494.600 2.628 30 10 JFEE CN(C)C(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSCC2)CCCC1 1516944364 BHJUFKHNJMPVQG-UHFFFAOYSA-N 454.600 2.931 30 10 JFEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1Br 1518104560 HUOUSWLZDUZJJX-KGLIPLIRSA-N 482.404 2.747 30 10 JFEE N#CC1(c2ccccn2)CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1519485759 BENQBPBEXCSUIZ-UHFFFAOYSA-N 452.580 2.883 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)cc1 1539014115 LETNTYBSRSYERU-GOEBONIOSA-N 451.390 2.643 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(C)C)C2)c1 1539046490 SZCBVTDSSLLYQV-JOCHJYFZSA-N 491.640 2.577 30 10 JFEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539090155 YDIMGGMEEFWMJL-UHFFFAOYSA-N 486.642 2.511 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC=C)[C@H]1CCS(=O)(=O)C1 1539206701 VDMOTAXHRVEXSA-AWEZNQCLSA-N 453.337 2.659 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1539210608 FJAIGSUVWFMASI-NRFANRHFSA-N 467.595 2.529 30 10 JFEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1539215751 ICDGRKNQNASTIF-IBGZPJMESA-N 496.637 2.738 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539229924 JLCHADMDUBFYSK-UYAOXDASSA-N 476.986 2.830 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(CCOC)CCC2)CC1 1539441807 VSOCVEBFEWNFIP-UHFFFAOYSA-N 453.587 2.924 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC 1539516810 DKLMPBSEBIKHKK-QGZVFWFLSA-N 450.655 2.905 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 1539828700 NNYACQKIAJRHFR-TZIWHRDSSA-N 488.658 2.890 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1539871281 JTEYGCKXSRFFRN-UHFFFAOYSA-N 452.485 2.740 30 10 JFEE C=CCCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1539974474 BFCPJEDKKRTKPW-DEOSSOPVSA-N 454.575 2.644 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539985723 OZEWSGYHDKSJPQ-QHCPKHFHSA-N 470.599 2.800 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C)cs1 1540140117 QSQKOGFPFHDNBG-AWEZNQCLSA-N 452.631 2.956 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1540866818 BFIGGNHCMGBUIC-SFHVURJKSA-N 454.556 2.599 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540900120 LMTPHCINBGCAFO-UTKZUKDTSA-N 455.584 2.955 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1540917420 WDEUFMYGJQPIGW-SFHVURJKSA-N 486.063 2.820 30 10 JFEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540917858 FUQJZCWHDKMOET-NRFANRHFSA-N 471.627 2.624 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1547356283 IDIKQETYBKUKDI-WIYYLYMNSA-N 456.616 2.562 30 10 JFEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1547525507 AQIDOZDHDUCVPN-FQEVSTJZSA-N 488.518 2.840 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(C)C)C2)CC1 1547700051 GWXUFKHRMMKJSQ-OFNKIYASSA-N 451.619 2.704 30 10 JFEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 1554364513 AGPXMGFPLNTJKC-LJQANCHMSA-N 491.600 2.929 30 10 JFEE CC(C)(CC#N)CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1570198059 GUQDCYAMEYNORN-ZDUSSCGKSA-N 458.378 2.576 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1587639767 MWVKOOMQLKPIPS-MAUKXSAKSA-N 470.517 2.765 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1587719223 WGMZDVKJORWBMH-OAQYLSRUSA-N 459.616 2.860 30 10 JFEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1587738330 BUUVNZSGAGWSHE-CRAIPNDOSA-N 460.464 2.880 30 10 JFEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588030474 WBOLVAKKTKMRQW-FPOVZHCZSA-N 492.605 2.746 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588035392 TWFLQCLAIGEAIK-GOSISDBHSA-N 488.017 2.620 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1588035641 WLLWGKCPERKOKK-YADHBBJMSA-N 479.606 2.899 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588039928 GJAGVRZLQHQXNE-IERDGZPVSA-N 478.578 2.852 30 10 JFEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588058862 DPROVQXEYMIROB-QZNHQXDQSA-N 456.612 2.944 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(C)C 1588128066 BMHJWERZJJWPFP-AUSIDOKSSA-N 458.566 2.809 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1N1CCOCC1 1588445049 FMLFXYROBKHYBA-UHFFFAOYSA-N 464.595 2.614 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1nncn1CC 1588594627 JLEOKGAWHNDABC-UHFFFAOYSA-N 462.327 2.592 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588871648 LGSMDDVCSXPMQA-VWLOTQADSA-N 468.671 2.666 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1588946370 DFJKXBUARPGFEK-ZBLYBZFDSA-N 477.657 2.740 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589116046 BZMMOSJKYNCPJQ-JOCHJYFZSA-N 496.637 2.553 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1589252194 ZPNOKXRSCXPMDC-JIPXPUAJSA-N 494.640 2.801 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1589406661 YUTWGRQXKXOQFH-GOSISDBHSA-N 484.439 2.838 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595266527 IJLNQRSMMDKIBL-IBGZPJMESA-N 484.626 2.722 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1595700636 QHPSFHRHJJMROJ-RBUKOAKNSA-N 476.599 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1595788556 CMZYDFADKHZRFV-QGZVFWFLSA-N 473.628 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 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DCAVDIMCDLBFTP-UHFFFAOYSA-N 477.590 2.836 30 10 JFEE C=CCn1c(CCN2CCCCC2)nn(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)c1=S 750008645 LRMDHAJFYPINBT-GOSISDBHSA-N 459.620 2.920 30 10 JFEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@H]1C(=O)O 757444219 WJGYDXQYLNCPNV-BHDDXSALSA-N 450.491 2.828 30 10 JFEE CC(=NNc1nnc(SCC(=O)Nc2nccs2)n1N)c1ccc(Br)cc1 1084201992 YDHQRBDZUVDXKL-UHFFFAOYSA-N 467.378 2.778 30 10 JFEE COC(=O)c1ccc(N=C2S[C@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2C)cc1 1084354980 PPHSZSFZZHVZQB-KRWDZBQOSA-N 455.492 2.850 30 10 JFEE C#CCN(C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21)[C@H]1CCS(=O)(=O)C1 1125953610 IVYCCIBRADKJRT-AWEZNQCLSA-N 456.490 2.531 30 10 JFEE C#CC[C@@]1(C(=O)Nc2ccc(CC(=O)N[C@H](CC)CO)cc2)CCCN1C(=O)OC(C)(C)C 1150352800 AMQGTMUMHLDZHN-CLOONOSVSA-N 457.571 2.848 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C 1213711633 KNKBJACTEROILS-UHFFFAOYSA-N 450.557 2.805 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCN1CC 1286294832 FRDYJIWGADUGMZ-ZCNNSNEGSA-N 460.623 2.919 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccc(N3CCCC3)nc2)c1 1286311318 HBDATPQRVWGHJH-UHFFFAOYSA-N 473.581 2.914 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286341410 DPUDBFQFCGCTRL-NQIIRXRSSA-N 454.600 2.632 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1286350074 UMIVIOGJWNQOOI-MRXNPFEDSA-N 464.538 2.920 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 1286383480 DHRSIKKMPAJVFL-DENIHFKCSA-N 466.611 2.711 30 10 JFEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286384051 PFACXPBCLZMFNJ-LFAGZIFBSA-N 486.638 2.669 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286392340 LLNKBWYVLZUIAP-UNMCSNQZSA-N 479.606 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1286419452 XSKKQTHJPRVRFA-HSZRJFAPSA-N 475.641 2.636 30 10 JFEE C#CCSCCn1c(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1286513008 PQWWMPNKSNLUOW-WZONZLPQSA-N 479.647 2.648 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C1CC1 1286518394 SWTIHNOFLSDMMP-HOYKHHGWSA-N 470.643 2.670 30 10 JFEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286542938 FMVWGLKIIJQABV-KRWDZBQOSA-N 493.431 2.708 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1286558133 MBNJCVNVFOZRIA-NZQKXSOJSA-N 454.619 2.792 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1286600771 QEUJDCPHMYIJMZ-PXNSSMCTSA-N 459.616 2.921 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286670343 GWBRTIOOHKMDCZ-UHFFFAOYSA-N 466.634 2.908 30 10 JFEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286687879 SPBJBMYPBBWDJY-UHFFFAOYSA-N 471.562 2.741 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286688343 QUSUCPLOSXQUOJ-OAQYLSRUSA-N 478.707 2.531 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1286699825 HTGJULTVIUMLFD-RTWAWAEBSA-N 475.615 2.927 30 10 JFEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286708922 IVRXORFDQMKRJZ-OAQYLSRUSA-N 474.569 2.807 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1286740809 XEFRZYIPVQUPNA-NRFANRHFSA-N 475.553 2.832 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1286773712 QOMQCRUJVHDYBI-QRVBRYPASA-N 454.637 2.660 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286782995 JYGXXXCMYFMKNH-MRXNPFEDSA-N 462.957 2.781 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286797515 YKIWLEJAZAQXKH-UNMCSNQZSA-N 482.629 2.576 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2nnc(C)s2)C1 1286802128 OKUZQPRFOIQMRS-SFHVURJKSA-N 488.639 2.923 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1286813439 VCOSAHYJOLHZSB-WOJBJXKFSA-N 464.563 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C#N)C1 1286823981 SGHWKDWALLTLMH-LJQANCHMSA-N 473.599 2.619 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 1286882916 KNIPDOSYJNAJAB-QZTJIDSGSA-N 497.600 2.699 30 10 JFEE C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1288606534 FTFQYUFGCXGBQZ-SCLBCKFNSA-N 469.384 2.932 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)C[C@H](C(F)(F)F)O1 1291224663 CPYXRWXEIHBFKE-KBXCAEBGSA-N 474.443 2.996 30 10 JFEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1300357426 NQXVPJSTJUBVJY-LJQANCHMSA-N 463.586 2.944 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1300486923 CEVNHFFTVRIPPQ-IBGZPJMESA-N 469.611 2.616 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300488057 AGZWECYNZRNKTP-HSZRJFAPSA-N 480.638 2.565 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1300497931 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UFAMOAAJLLLPFA-KRWDZBQOSA-N 455.625 2.523 30 10 JFEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1301610436 YPLBAIFHMIOAPV-QGZVFWFLSA-N 481.626 2.857 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CC1 1301635708 UAIMJWJLCXBPBW-HSZRJFAPSA-N 466.586 2.850 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(-c2ccccc2)n1 1303642169 HFQFKVVGABZLJL-INIZCTEOSA-N 461.555 2.637 30 10 JFEE C[C@@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1305057326 ASGAGELGDUQNGC-OPAMFIHVSA-N 459.957 2.788 30 10 JFEE CN(C)C(=O)CCCn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1314630834 HCNGUURTSRLPJB-UHFFFAOYSA-N 472.597 2.721 30 10 JFEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1)C1CC1 1315146070 IDWGXJWULMAUGI-VWLOTQADSA-N 466.586 2.991 30 10 JFEE COC[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@](C)(C#N)C1 1315773345 FLOFHIDBWCFBGV-ZHRRBRCNSA-N 459.620 2.959 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 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458.364 2.819 30 10 JFEE CO[C@H]1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2283937196 TXODGYQONLKKMW-HOTGVXAUSA-N 461.368 2.591 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2283946730 QWRJRXAIOTWLQM-INIZCTEOSA-N 476.408 2.523 30 10 JFEE C[C@@H](NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283983044 FUSLDIPXXJIHIQ-VQIMIIECSA-N 460.380 2.799 30 10 JFEE COCC1(C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2283984953 CMUYOVCMXDWNMK-UHFFFAOYSA-N 464.343 2.947 30 10 JFEE Cc1cc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc(B2OC(C)(C)C(C)(C)O2)c1 2284010068 ALFNJHOCABJRPW-VQIMIIECSA-N 460.380 2.851 30 10 JFEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(N(C)C(=O)OC(C)(C)C)COC1 2284038633 HBYNQXMVSTZIKU-UHFFFAOYSA-N 460.380 2.580 30 10 JFEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2284044532 AXLAGMZUNRCANX-QFBILLFUSA-N 462.396 2.872 30 10 JFEE 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CC(C)(C)OC(=O)NCCOCC(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341192059 KRSNWBYGIMKTTD-UHFFFAOYSA-N 456.295 2.744 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2350808310 CCHNKLVJSARWOE-VWUIQGKGSA-N 454.571 2.843 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2359279853 IYSOHQFSSZYZIR-ONIAQPFYSA-N 457.380 2.802 30 10 JFEE CN(C[C@@H]1CCCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2362355228 ZHDUHWMECUUFND-INIZCTEOSA-N 462.400 2.581 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362502090 ABELSCPKTQZETB-MRXNPFEDSA-N 465.400 2.714 30 10 JFEE CC1(C)OB(c2csc(CN3CC[C@@H](N4CCN(Cc5ccccc5)CC4)C3)n2)OC1(C)C 2368852466 YHIKVRAXETUYPC-OAQYLSRUSA-N 468.476 2.834 30 10 JFEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)cc1 20292974 LMMIPGMPBPTRBY-LSHDLFTRSA-N 461.935 2.839 30 10 JFEE COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)O)ccc1N1CCN(CCC#N)CC1 32961968 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490.649 2.991 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC(=O)N2CCOCC2)C1 1286800415 KUIPPLYNCCUMMN-FCHUYYIVSA-N 453.587 2.850 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccoc1 1286814473 AMWCLQLQXUWIGR-UHFFFAOYSA-N 468.377 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286817752 XNFXXYBLKNIVQO-UHFFFAOYSA-N 475.615 2.769 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1CCN(Cc2cccs2)CC1 1286969080 DHCZICPYRYNEIY-SFHVURJKSA-N 455.632 2.970 30 10 JFEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1295064437 GXFYGKNCCIBMTK-UHFFFAOYSA-N 452.950 2.986 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCn2ccnc2C)c1 1300334554 PLJORKJHXVTMAD-UHFFFAOYSA-N 454.538 2.525 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300496368 QDZDOKPRFZYXES-OALUTQOASA-N 464.538 2.785 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300502064 QIWWKXFWVOOZNH-NRFANRHFSA-N 456.612 2.889 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccnc2OCC)CC1 1300685502 PSIHRPWCXLLJSZ-UHFFFAOYSA-N 484.402 2.643 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1300711391 ZNPPPNOWGFBLJK-BURNTYAHSA-N 472.634 2.619 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NCCC)CC1 1300730832 FUFNKAWZIKWNBO-UHFFFAOYSA-N 489.045 2.716 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCO[C@H](C)C2)CC1 1300732329 MGEACNXDSIPOBG-UGESXGAOSA-N 471.646 2.978 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC2(CCC2)C1 1300734573 XSLAKNCCNFUEGW-UHFFFAOYSA-N 460.003 2.987 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300743194 IRFNCKXMCMFFHK-AWEZNQCLSA-N 492.399 2.723 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1300743618 WAAAQJPXCINHGX-HXUWFJFHSA-N 485.654 2.877 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300746400 RUMZXXNSLGQWGD-INIZCTEOSA-N 497.543 2.834 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300767697 DZXSDNNXJBXUPJ-QFIPXVFZSA-N 466.611 2.750 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300891741 MNMCHXRUPVWWFD-RDGATRHJSA-N 472.678 2.982 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(NC(C)=O)CC1 1300896652 HQTODEGGHFFNKA-DVECYGJZSA-N 469.586 2.952 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301119527 MOTJVNVKBOTAOZ-GOSISDBHSA-N 475.615 2.789 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccccc1 1301165670 IJBXNWLRYWIUPD-QHAWAJNXSA-N 471.627 2.503 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1301222662 CAESOQYBBZKRBP-JPYJTQIMSA-N 463.579 2.548 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(NS(C)(=O)=O)CC1 1301444670 WSQKYVZIKJQYGK-UHFFFAOYSA-N 458.357 2.551 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC2CC2)CC1 1301483308 NRUXBVAFZCXFKR-UHFFFAOYSA-N 463.380 2.733 30 10 JFEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1301510665 ZRMMKMUTCXFUCD-CQSZACIVSA-N 497.547 2.562 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1301536350 UULAABOMUOSHCY-RXFWQSSRSA-N 483.613 2.989 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1301617855 KBOFQAPXKKBCJP-UHFFFAOYSA-N 474.675 2.795 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)C1 1301651098 GVQWZKMBBMRTEH-NRFANRHFSA-N 477.613 2.770 30 10 JFEE C=CCCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)nn1 1305845673 IEMZEWVKJRMGIT-UHFFFAOYSA-N 450.540 2.699 30 10 JFEE CCOC(=O)Cc1cccc(N(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 1308149614 CUZYOVUYQFMSPH-QHCPKHFHSA-N 452.530 2.777 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)n1 1311079164 WBUIWZGFOFUHPQ-UHFFFAOYSA-N 453.543 2.968 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1314700590 FEPHVCDARWFBQU-HKUYNNGSSA-N 461.613 2.638 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1358924645 CZQYJCLKWGSVRO-HXUWFJFHSA-N 494.640 2.945 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1358929939 KYVOCTYXIKHJKZ-RTWAWAEBSA-N 498.653 2.940 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C2CC2)cs1 1358941498 MKRUEQLFDDEVAZ-UHFFFAOYSA-N 456.597 2.647 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358961408 YIWLLPWMUQNMAJ-MJGOQNOKSA-N 471.558 2.517 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358965428 VCUVXORJVCFUDD-FQEVSTJZSA-N 497.587 2.688 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCCC1(C)C 1358971464 WXFODBVCMXLHEP-DEOSSOPVSA-N 468.627 2.561 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1359032814 DKAUWAMSVBQUID-FPOVZHCZSA-N 453.587 2.780 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccccc2C(C)C)CC1 1359044096 VKCXSAXTTMKIDA-UHFFFAOYSA-N 473.581 2.903 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359055647 KXLAPTKIIJSSMU-QZTJIDSGSA-N 476.647 2.679 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)no1 1359255047 LSWWJGPIRXIERS-SFHVURJKSA-N 457.556 2.726 30 10 JFEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359285164 LBQKGMVAPHCQTI-UHFFFAOYSA-N 475.391 2.776 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359287640 OWXRSHMNZNLAER-CVEARBPZSA-N 474.528 2.845 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359328555 IFDZLNCJFPBQBD-KRWDZBQOSA-N 460.991 2.927 30 10 JFEE C=CCC[C@@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OCC 1449691958 GLTOYCKYZZFJEL-MRXNPFEDSA-N 451.317 2.839 30 10 JFEE CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCN(c2cc(C#N)ccn2)CC1 1462038032 BKLWJMGCVZZZGK-HNNXBMFYSA-N 458.360 2.551 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(SC)CCN(C)CC1 1507522962 ZMFTYECPCJPALM-KRWDZBQOSA-N 461.657 2.634 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CC(=O)N(CCOC)C1 1507644093 CSMBFJFNGDFICH-INIZCTEOSA-N 460.365 2.820 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C2CC2)CC1 1507653395 OANBAQJDTCCHMY-QFIPXVFZSA-N 482.629 2.534 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCCCC1 1507701786 AZKMJTPVSWWDLF-UHFFFAOYSA-N 459.978 2.643 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)N2CCCCC2)CC1 1507722046 XKTLAUBQQSQDFW-UHFFFAOYSA-N 466.630 2.982 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1507725752 AFMFUEPEODEUIJ-VXKWHMMOSA-N 497.713 2.783 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=O)Nc2c(C)cccc2C)CC1 1507736352 JFLLCOQXJSFNMQ-UHFFFAOYSA-N 471.565 2.561 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCCCCC2)CC1 1507739552 CFLFMEAYAAVFGG-UHFFFAOYSA-N 479.625 2.951 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1507802761 CNGGFWRNGYMMSE-MZKRTTBSSA-N 453.587 2.821 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1507839887 HTICXJOHOVQKNR-HZPDHXFCSA-N 450.561 2.524 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCS(C)(=O)=O)CC1 1507910529 UVLNQUZJHGYJRW-HDICACEKSA-N 467.636 2.886 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507914315 HIXASOQLIMIVBZ-SJORKVTESA-N 455.559 2.902 30 10 JFEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1507928509 KDRJTVQVPPWKJU-SESVDKBCSA-N 487.626 2.817 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508073484 KFRDWBAQNRYZCD-UHFFFAOYSA-N 474.993 2.604 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC[C@@H](C(N)=O)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1508105231 OYCYALVQHBMJHO-AQNXPRMDSA-N 496.612 2.974 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 1508120058 YGLINHXCHKPERY-MJGOQNOKSA-N 459.595 2.963 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 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C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1539116651 PBCCAYJUBOQBNN-IBGZPJMESA-N 485.658 2.784 30 10 JFEE C#CCCCn1c(N2CCN(Cc3cc(F)ccc3OC)CC2)nnc1[C@]1(OCC)CCOC1 1539141496 VDMBENYHHAOJRQ-VWLOTQADSA-N 471.577 2.814 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1539160808 BCEHTSKCMNAIQT-JOCHJYFZSA-N 462.019 2.884 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1CN1CCOCC1 1539200240 DAUORVARUNXHPW-ZRZAMGCNSA-N 494.640 2.999 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](c1cccc(C)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539203794 VHEZNCOORZHTQS-GMKZXUHWSA-N 499.681 2.800 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539210576 CSGUYVVLOBEGJM-ZWKOTPCHSA-N 479.400 2.513 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1539409040 MHMQUWROTVZQNR-VQTJNVASSA-N 478.597 2.702 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1539444486 PTYJOFSRFNWDMH-UHFFFAOYSA-N 464.883 2.549 30 10 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CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 1143326548 KHIMIQVTPDVMBY-SFHVURJKSA-N 457.571 2.866 30 10 JFEE C#CC[C@@]1(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CCCN1C(=O)OC(C)(C)C 1264329865 KGBGMWQVIHGVOV-DEOSSOPVSA-N 457.527 2.711 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1286314023 IYSIOQMCJXXNMC-ROUUACIJSA-N 496.678 2.821 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286314886 IEVPIMQKZPTNQV-PMACEKPBSA-N 472.659 2.918 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1286396221 WDCLLDUKMNFAIG-HNNXBMFYSA-N 491.333 2.622 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286397950 DVINCFLCFUYVMD-XUVXKRRUSA-N 478.659 2.783 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc([C@@H]2CCOC2)cn1 1286421121 MZQGAMHELKALMA-HXUWFJFHSA-N 459.510 2.717 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCCC1(C)C 1286438102 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C=CCNC(=O)Cn1c(N2CCC=C(Br)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793166 UILTVLAVLLGTKF-FZNQNYSPSA-N 495.422 2.840 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286798850 MBMNHLSAAVXJPN-AEFFLSMTSA-N 486.516 2.561 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1286815686 YYASJKQIJCLRKU-UHFFFAOYSA-N 483.623 2.509 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1286816797 LWWRIAIZDVROQQ-UHFFFAOYSA-N 485.595 2.678 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286818758 NJYGKEDOZYSTCQ-QZTJIDSGSA-N 492.646 2.624 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccn2)CC1 1286826454 IENNBHLIJXNLGX-UHFFFAOYSA-N 452.544 2.889 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286833366 AFJQDKGVOCQOBZ-FQEVSTJZSA-N 461.705 2.769 30 10 JFEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)o1 1292692646 CUOZQKPLFOHNSW-SJORKVTESA-N 486.598 2.894 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1297279048 ACOPYAPBSKPBOL-IBGZPJMESA-N 498.632 2.911 30 10 JFEE CN(CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1298705367 GFBRMGDEYCEUMT-LJQANCHMSA-N 464.427 2.530 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(CCc2ccccc2)n1 1300273602 QYJWXXAOVDKDGR-IRXDYDNUSA-N 472.640 2.636 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1300479102 IHWWOSHKNSTGJN-OAHLLOKOSA-N 484.047 2.586 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300487644 KQPRWBNEVRZSEX-INIZCTEOSA-N 459.934 2.808 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(COCC(F)(F)F)c1 1300579499 SHQDYHMXAOPNCC-IBGZPJMESA-N 459.472 2.819 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1300696066 SCXAXIAACLMNKT-FPOVZHCZSA-N 465.602 2.741 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(N(C)C)CCC2)CC1 1300710255 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466.007 2.841 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1595830430 BOMGHFOPIWQQKY-JOCHJYFZSA-N 478.640 2.800 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1 1615343802 IFMIXMPFHYJBET-JOCHJYFZSA-N 481.601 2.738 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN(C)CC(F)(F)F)CCOC1 1616223452 FSCWLGLBCLBDNU-PMACEKPBSA-N 458.529 2.944 30 10 JFEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(CC)c2)cc1 1616415491 BHKKDHNTLZAMHQ-UWJYYQICSA-N 451.531 2.810 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCc1ccccc1F 1616922628 HIBGSEBOMWKTNU-GOSISDBHSA-N 464.549 2.963 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCOC4(CCCCC4)C3)n2CC(=O)NCC(F)F)cc1 1620351719 GZQABYWRSPZJEB-UHFFFAOYSA-N 474.512 2.650 30 10 JFEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCc2ccccc2F)CCO1 1620356670 FKFJCYQHONZPIB-QGZVFWFLSA-N 454.531 2.770 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)n[nH]2)c1C 1629110572 SOLVWEOJJSMQKV-INIZCTEOSA-N 456.547 2.584 30 10 JFEE C=C(C)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)C(=O)OC 1643610600 LGWMCGGBAOPLHH-NRFANRHFSA-N 458.536 2.605 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccc(C)cc4)CC3)cc2C1=O 1644059606 GUYRWADYRGAICT-UHFFFAOYSA-N 452.532 2.856 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnnn2-c2ccc(Br)cc2)c1 1651895387 SESOZXRVRCZRPH-UHFFFAOYSA-N 457.313 2.847 30 10 JFEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)c1ccc(Br)c(C#N)c1 1655043662 COYDCLLXYXTHJO-UHFFFAOYSA-N 454.293 2.759 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(C(=O)NCCN(C)C)CC1 1662577024 GYQXVHPBASZOMD-UHFFFAOYSA-N 453.381 2.936 30 10 JFEE C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 1684851530 HBZMCHCWAVTPKV-NTKDMRAZSA-N 451.546 2.818 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(CC)nn(C)c1CC 1689846224 HPUUBGFGCMURCO-INIZCTEOSA-N 468.631 2.603 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1689893247 WSTVSFOBRAVSKJ-FQEVSTJZSA-N 471.627 2.709 30 10 JFEE 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CCOC)C(=O)C1 1690252807 IZSCWUJAKSLRLS-BWKNWUBXSA-N 483.613 2.750 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690302375 CHMAZEKYAMNXDG-VQTJNVASSA-N 460.600 2.804 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690302691 JTRSWOFPPBIUBM-NTKDMRAZSA-N 490.626 2.716 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690338516 ABISIBQVTAJIEZ-IERDGZPVSA-N 453.978 2.558 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690518409 IYETXEOFPCBVHH-HDICACEKSA-N 461.632 2.859 30 10 JFEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690530209 JVQVHMRGYAZGPS-UHFFFAOYSA-N 450.568 2.732 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1690632580 DGHVVNANRNLRAC-SIKLNZKXSA-N 483.642 2.787 30 10 JFEE C=CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690651305 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LDDBMEGCOUWNIJ-MJGOQNOKSA-N 494.061 2.964 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1705570216 LQSOSCZEDPPPNS-MRXNPFEDSA-N 491.951 2.871 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H](OC)C(F)(F)F 1705583050 PGUWTDHBALUMFQ-DLBZAZTESA-N 485.507 2.627 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1705609583 JMXODKVRFQMEIN-VZCXRCSSSA-N 499.369 2.702 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1705619121 HYEIMXQASUTGTC-SANMLTNESA-N 479.556 2.765 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C 1705628133 YENPTCZSZLFRSW-IBGZPJMESA-N 490.649 2.641 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCOc2ccc(Cl)cn2)CC1 1705641928 ZJTHMWVAUMBLBI-UHFFFAOYSA-N 481.000 2.955 30 10 JFEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1705663594 MZYHKTBVMJFPLD-UHFFFAOYSA-N 452.584 2.995 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1705673145 RNFDZICIZVFNKA-DYESRHJHSA-N 463.629 2.513 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1705688964 BDJDAIZPNJVGOW-UHFFFAOYSA-N 453.410 2.990 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnccn2)CC1 1705801564 JEMRXXWDBNYMBQ-UHFFFAOYSA-N 467.599 2.822 30 10 JFEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705830821 BHSUXUGMKSRELU-UHFFFAOYSA-N 464.545 2.958 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1705859942 KJWINAVSSNAZQL-PKTZIBPZSA-N 477.613 2.650 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2c(F)ccc(F)c2C1 1705936469 RIDHVLSODJJXHM-HNNXBMFYSA-N 452.527 2.614 30 10 JFEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1706966673 DDSUGRMCLYCGRT-UHFFFAOYSA-N 450.362 2.740 30 10 JFEE Cc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)sc1C 1706994984 FSTNZWCHLIGKAH-GOSISDBHSA-N 465.583 2.942 30 10 JFEE CC[C@H](C)N(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1708597212 GIDRAEXMXROWNO-UGKGYDQZSA-N 465.602 2.694 30 10 JFEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NCC)CC2)o1 1709539875 DMHIVYNADSRMPU-UHFFFAOYSA-N 462.558 2.966 30 10 JFEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C 1711211772 FWWNBGNBYDBENE-IBGZPJMESA-N 488.614 2.555 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1722279038 ABFFXRBFWPFVRC-HNNXBMFYSA-N 459.959 2.934 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722284337 MKHFRHBUXSJDRA-DLBZAZTESA-N 455.563 2.886 30 10 JFEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1722344502 PRVGONSGJCRWFP-DEOSSOPVSA-N 454.575 2.966 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722359838 QECLQHAZIZRPHL-HSZRJFAPSA-N 469.655 2.866 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1722364959 MYMJIDQQSSOALK-MJGOQNOKSA-N 478.590 2.999 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 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C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1722447335 HYPHFNWENRKPBP-ZEQRLZLVSA-N 494.640 2.797 30 10 JFEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722486651 BYXATNGPCSKVAE-UHFFFAOYSA-N 491.438 2.775 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722493761 ZNRQSFYKMLQIIS-FUDKSRODSA-N 458.651 2.907 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722502875 BCONQERMNDULFN-WIYYLYMNSA-N 474.631 2.538 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1722518037 SOOKEWYLZGWPOI-HXUWFJFHSA-N 491.614 2.569 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OCC)c2ccccc2)CC1 1722582794 PTEIIORZWZWZMB-FGZHOGPDSA-N 489.642 2.791 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722602619 AEHCLKKBTNNLSA-HXUWFJFHSA-N 463.648 2.765 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OCC(C)C)C1 1722689354 SCDIHICXPBAHFO-MRXNPFEDSA-N 465.396 2.600 30 10 JFEE C=CCNC(=O)Cn1c(N(C)CCC2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703849 JQXJUBAXSFUNHJ-KDURUIRLSA-N 476.622 2.604 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1722737701 OYQQUCCKIUFBSH-GOSISDBHSA-N 484.626 2.741 30 10 JFEE C[C@H]1CC[C@@H](C)N1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1723821861 FCSFDUWDVWZJSJ-BHIFYINESA-N 464.662 2.762 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1724014714 FUTWBBCURMLRFF-HSZRJFAPSA-N 468.583 2.684 30 10 JFEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](C)CN1CCOCC1 1729029261 BKYVYJFTIOKTBH-FQEVSTJZSA-N 468.602 2.702 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2csc(C)n2)c1 1740564145 CASMDBUGAKAYPS-SFHVURJKSA-N 450.568 2.846 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740589192 QSLDMGWIAGVIKM-YOEHRIQHSA-N 460.460 2.761 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1740623376 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2.964 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588050731 VAKQUFFNVMRHHW-NJYVYQBISA-N 472.659 2.658 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccnc(OC(F)F)c2)CC1 1588791280 QRIDXXMXEZSTQH-UHFFFAOYSA-N 484.507 2.762 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588871409 CGWNGLIREAZXNK-UHFFFAOYSA-N 485.654 2.587 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ncccc2C)CC1 1588898869 GEDWXOONLFASIY-UHFFFAOYSA-N 459.510 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccc2OCC)CC1 1588962215 XYTUKMKYOFUAHL-UHFFFAOYSA-N 489.624 2.747 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1589216541 RAHGQCWYNRXWFP-KSFYIVLOSA-N 469.533 2.860 30 10 JFEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1593600483 LKXHTHKELGIOTO-SFHVURJKSA-N 463.590 2.874 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1594097175 NCOCAUAJGWOANN-PMACEKPBSA-N 496.033 2.809 30 10 JFEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccccc1 1594551902 CDMUMVAWVGUTCM-PMACEKPBSA-N 452.559 2.647 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1595313985 CQRJYVICCRIEGV-UHFFFAOYSA-N 452.540 2.554 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1595497238 UUUGEZGMYNDUTO-QGZVFWFLSA-N 475.615 2.995 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C(N)=O)CCCC2)C1 1595680815 NCDYUNCWTUNZNS-INIZCTEOSA-N 477.407 2.873 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1595812429 SSFFVTHQHVCCHN-NRFANRHFSA-N 489.548 2.721 30 10 JFEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1595850942 VPPJTDSOINNWCV-INIZCTEOSA-N 484.395 2.717 30 10 JFEE C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1ccccc1NS(C)(=O)=O 1595975813 GPJGKPWACAEKMU-GFCCVEGCSA-N 452.330 2.948 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)s1 1627347039 XKNWIOWXFJTOMI-UHFFFAOYSA-N 459.549 2.917 30 10 JFEE C=CC(C)(C)CNC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1635334184 BGLSAJNZEKHQMM-UHFFFAOYSA-N 458.422 2.762 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(Cc3cccc(F)c3)CCOCC2)s1 1641253631 LKRFRCUNMBCQNA-UHFFFAOYSA-N 452.573 2.802 30 10 JFEE C#CCN(C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCN(C(=O)OC(C)(C)C)CC1 1648317997 KAXQBUDLSBQUQH-HXUWFJFHSA-N 457.571 2.646 30 10 JFEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(Br)c(F)c3)C2=O)cc1 1661361989 FDZPWGRBJAPEHD-KRWDZBQOSA-N 452.305 2.934 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1667956147 JOWLIMJFBZQOBL-QGZVFWFLSA-N 452.577 2.966 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C(C)(C)C 1690019159 BSHCRSBSQUKPPK-RBUKOAKNSA-N 459.591 2.720 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCOCC1(C)C 1690039614 MKFJJIUOPRHJPD-UHFFFAOYSA-N 465.598 2.926 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1Cc1cccc(N2CCOCC2)n1 1690055393 TXXVSFFHXODZFV-UHFFFAOYSA-N 474.540 2.739 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)C(C)C 1690097513 ISQQHJHWRZGIEX-UHFFFAOYSA-N 466.355 2.705 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2oc(CC)nc2C)CC1 1690117442 HYFAIXWYKDKDFC-UHFFFAOYSA-N 450.543 2.625 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Br)ccc2C1 1690156157 SSPBIUJYSKLLMX-CQSZACIVSA-N 498.472 2.580 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690214839 ZCZIICRYSAZSFH-YBJWPOLQSA-N 459.591 2.831 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690250428 HMQFJCRDVGZCJL-FIXSFTCYSA-N 454.619 2.792 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)nc1 1690559657 IWHVRHSPTBEMIV-OAQYLSRUSA-N 456.554 2.803 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NCCCC)CC1 1690630181 YWDYZNLNADYTAH-UHFFFAOYSA-N 473.647 2.865 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(OC)nc3ccccc23)C1 1690685226 YQTWSBPLLPNKQH-GOSISDBHSA-N 450.543 2.803 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCC2)C1 1690700033 MSXWEKJAQSDBQB-RTBURBONSA-N 477.606 2.673 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OCC)CCOC1 1695923943 BULBYNZJKVZHCD-LVXARBLLSA-N 496.612 2.542 30 10 JFEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(F)(F)F)CC1 1696880770 DDUABCCWNGDEBO-LJQANCHMSA-N 475.519 2.902 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705558865 KKCZFYJLCAJSEW-PKOBYXMFSA-N 463.648 2.650 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705563515 YXBPSODHAJLLDE-IBGZPJMESA-N 467.595 2.935 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1705568010 FKMSNJCRCDXERS-ZWKOTPCHSA-N 494.564 2.928 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1705570524 RAVFJKVBIOFBLR-JOCHJYFZSA-N 479.606 2.532 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705684320 MDKUCZCRVHCKMS-IBGZPJMESA-N 490.406 2.978 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC)C(=O)C1 1705697134 SHZNYAWZXBJLFM-GHTZIAJQSA-N 454.531 2.893 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705723031 VSPLTQDJEISACA-UHFFFAOYSA-N 451.531 2.664 30 10 JFEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1705742734 DNGHDPPPKUCCBA-HXUWFJFHSA-N 454.600 2.880 30 10 JFEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705801052 RFBXWQQAMFCIAT-UHFFFAOYSA-N 459.982 2.523 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705846627 MWWAWMGCEASCGE-UHFFFAOYSA-N 480.638 2.897 30 10 JFEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(C)cn1 1705870779 YAGSGOKOFSGBCG-UHFFFAOYSA-N 454.604 2.930 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COC)CC1 1705912840 VWGOKTOKFKZHOP-UHFFFAOYSA-N 451.527 2.755 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](CC)C1 1705936439 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482.522 2.625 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2334263396 HISOPZBLRXJLEG-OFQRWUPVSA-N 463.409 2.960 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]2C[C@H]12 2334387171 UOPAXSVEIBIPAB-QKPAOTATSA-N 463.409 2.608 30 10 JFEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C(=O)O)(N1CCN(Cc3ccccc3)[C@@H](C#N)C1)C2 2350810779 WMXCMQBYOPMRAF-PJZVPJHESA-N 454.571 2.987 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(S(=O)(=O)c1cc(B3OC(C)(C)C(C)(C)O3)cs1)C2 2359273702 RJNHMKGNMFLBLA-ZOBUZTSGSA-N 498.476 2.971 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2C[C@@H]3OCC[C@H]3N2C(=O)OC(C)(C)C)[nH]1 2362163022 ZPHQZLQLYGVLMS-OTWHNJEPSA-N 459.396 2.690 30 10 JFEE CO[C@H]1[C@@H](C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2368337141 QJCPPJLOPDWSBB-BMCPXHGSSA-N 468.400 2.721 30 10 JFEE CC(C)(C)OC(=O)N1[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@@H]2COC[C@H]21 2371996010 JFHFHMMYYLEMDA-RVKKMQEKSA-N 464.343 2.923 30 10 JFEE C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)cc1OC 2993301 LGYHCVSHCXCPQY-LFIBNONCSA-N 479.436 2.703 30 10 JFEE N#Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2c(O)ccc3ccccc23)n1N 20917003 QJFNGBMIXGRYCI-BRJLIKDPSA-N 458.507 2.899 30 10 JFEE N#Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1 58136175 MDGFYTZUQBTDIG-XMMPIXPASA-N 454.534 2.571 30 10 JFEE C=CCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccccc3NC(C)=O)n[nH]2)cn1 59832276 UDZSGNZMHPAWEE-SRZZPIQSSA-N 453.532 2.713 30 10 JFEE CC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1 59889318 ZGMCPUASDAQTCD-FYJGNVAPSA-N 451.578 2.518 30 10 JFEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1 103089148 IWZBWSXWOJSBIV-HHUUSFLGSA-N 460.534 2.787 30 10 JFEE COc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccc(OC)c(OC)c2Br)c1 169903893 GLZGIZHMBFUYES-VXLYETTFSA-N 459.318 2.796 30 10 JFEE COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 170577590 YJPZQBPWMOHMGK-MRXNPFEDSA-N 461.565 2.917 30 10 JFEE N#Cc1cccc(C(=O)[C@H]2CNCC[C@H]2NC(=O)c2ccc(I)cc2)c1 585831284 BALCCAFDPSHIHV-ZWKOTPCHSA-N 459.287 2.754 30 10 JFEE C=CCNC(=O)N1CCC[C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2Br)C1 585938236 FZYDOBLNNMGZAK-GFCCVEGCSA-N 456.337 2.565 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)[C@@H](C)C(=O)Nc3ccc(OC)cc3)cc21 586273932 DBDDMNDAQFQOJG-XLYFSSNGSA-N 470.547 2.954 30 10 JFEE C#CCNC(=O)COc1c(I)cc(Cl)cc1I 686888500 BOQREMUHIWZSPE-UHFFFAOYSA-N 475.451 2.677 30 10 JFEE CCN(CC#N)C(=O)c1cc(I)cc(I)c1O 701293306 WNFXGUBPBHUQPS-UHFFFAOYSA-N 456.021 2.587 30 10 JFEE NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc3c(c2)OCO3)[n+]2cccc(CO)c2)C=C1 726569680 GFJZOIGCBYMMAS-UHFFFAOYSA-O 450.496 2.702 30 10 JFEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1F 729668429 JBYQWKFYQNMSJY-CQSZACIVSA-N 464.497 2.943 30 10 JFEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2ccc(C#N)cc2F)C1=O 729818153 ICHVRJMHMIIEBI-LJQANCHMSA-N 453.499 2.924 30 10 JFEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCSC[C@@H]1C(=O)O 757273897 FPJTZYPMBLITLR-FGZHOGPDSA-N 464.543 2.946 30 10 JFEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1084266755 UGLSHINZPHIUHO-UHFFFAOYSA-N 472.443 2.807 30 10 JFEE C=CCn1c(SCC(=O)N[C@]2(CC(=O)OC)CCOC2)nnc1-c1ccc(Cl)cc1 1127935938 RPUBXSHTIIAYTB-FQEVSTJZSA-N 450.948 2.715 30 10 JFEE CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)s1 1128734756 HIRNCDIFIHYTKD-ZDUSSCGKSA-N 451.957 2.736 30 10 JFEE C#CCOc1ccc(CNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)cc1 1129019436 RURAYCZCUQVJLL-UHFFFAOYSA-N 454.324 2.848 30 10 JFEE C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1131602203 JOJWFTHHEBCAQY-UHFFFAOYSA-N 450.342 2.874 30 10 JFEE N#CCCN(C(=O)CCC(=O)N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)c1ccccc1 1153819698 HCLWXLPDTRJTHX-HXUWFJFHSA-N 455.881 2.925 30 10 JFEE C=CCC1(CNC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)CCCC1 1248674405 CBRJGSXOXOWYHQ-UHFFFAOYSA-N 451.589 2.856 30 10 JFEE C#CCN(C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C)c1nccs1 1265711241 RBDMLRLLRNUHDA-UHFFFAOYSA-N 456.572 2.810 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCNC(=O)c2cccs2)c1 1286312397 XNBQVQMLEHXUSX-UHFFFAOYSA-N 499.600 2.812 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(N2CCOCC2)CC1 1286368354 XWULTGKNGQIKHR-UHFFFAOYSA-N 460.376 2.650 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286383969 FUGBQPVXIKVZIZ-RXVVDRJESA-N 483.569 2.822 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286386666 FRNZQOZVLVMACG-SJBKTWHCSA-N 484.670 2.723 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286396565 QOQVUVCQTJJWQO-ZDXQCDESSA-N 486.638 2.918 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286463606 IYUFNCHQSNFKEG-FQEVSTJZSA-N 465.520 2.993 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)n1 1286472167 VTTZEJOFHHMRCD-XUZZJYLKSA-N 473.581 2.851 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1286498981 GWBVOPFTAZMRMY-UHFFFAOYSA-N 459.572 2.607 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286613256 VWVLPKPMPJQIIK-UHFFFAOYSA-N 464.570 2.770 30 10 JFEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286700452 NLBRFYDGLLGEAL-DENIHFKCSA-N 468.602 2.794 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CC(F)(F)F)CC2)C1 1286804535 MHZCUSCYMOSEIT-SFHVURJKSA-N 453.513 2.734 30 10 JFEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286829885 GQWQNVRKAVVFOL-JKSUJKDBSA-N 456.572 2.753 30 10 JFEE C=CCOC[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)C(=O)OC 1297029595 KXCNXHZQZMKBSF-CQSZACIVSA-N 451.273 2.768 30 10 JFEE COc1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)cc(OC)c1OC 1299888996 FLMONMFSEGXLSC-QHCPKHFHSA-N 469.521 2.656 30 10 JFEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300384817 VZTOVAICOHZQEI-SFHVURJKSA-N 487.004 2.658 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1300391207 JGSUTLXGSKZWRM-UHFFFAOYSA-N 467.570 2.833 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300504147 KCOQNZPUMQMJKT-LJQANCHMSA-N 456.593 2.902 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1300547145 HEJRWYYJCNVGLJ-FQEVSTJZSA-N 462.554 2.570 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCOC[C@@H]1C 1300561355 OKPYTHHCKLAFME-SFHVURJKSA-N 486.414 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1300719971 XWRRTPKNVFWPBM-XMMPIXPASA-N 488.640 2.728 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300732805 PUFNRMRQOBKEHR-FQEVSTJZSA-N 470.643 2.671 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300873499 HCYZXRCKPJRNPU-PMOQBDJRSA-N 450.587 2.955 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CCC(N)=O)CC1 1300892244 QUGFXPSBXXNBLC-XMSQKQJNSA-N 486.642 2.733 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301159176 XESQHRKOIQNPTH-GCJKJVERSA-N 454.637 2.934 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1301383878 NNOQABBRSNPJFT-INDMIFKZSA-N 456.591 2.911 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1301410421 FSEDVSKRCRCJSZ-OAQYLSRUSA-N 462.554 2.807 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(COC)CC1 1301587403 VDDJVXRIYGUPOL-UHFFFAOYSA-N 457.600 2.814 30 10 JFEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)n[nH]1 1304685137 AIZUROOCSDAUSZ-IBGZPJMESA-N 491.600 2.529 30 10 JFEE C[C@@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1305057402 BOSKFNJTPJBXGL-MRXNPFEDSA-N 455.517 2.794 30 10 JFEE N#Cc1ccc(Cc2cnc(NC(=O)CN3CCCCS3(=O)=O)s2)c(C(F)(F)F)c1 1353592353 DIQLUKULRYQASK-UHFFFAOYSA-N 458.487 2.988 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1358900903 VQCWBEISUHFXBV-FFZOFVMBSA-N 478.597 2.841 30 10 JFEE C#CCCCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358916944 BJZTXEGESQSIDT-RHGYRFJNSA-N 456.591 2.569 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358958831 WWUMFHICKPCQSB-IERDGZPVSA-N 466.966 2.525 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358959312 GIWDOJZNPXKECU-JOCHJYFZSA-N 480.638 2.708 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(c2ccccc2OC)C1 1358981954 DKLGIQSNMUHGJP-JOCHJYFZSA-N 457.582 2.748 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358998633 MGTMZKMYLKEOPN-IVAOSVALSA-N 469.586 2.617 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)sc(C)c1Br 1359000577 ZCLXSHDRIDPRPU-NSHDSACASA-N 474.450 2.837 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCCCO1 1359015022 FGBZXEXSTKLBRV-YLJYHZDGSA-N 463.579 2.626 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NCc2ccco2)CC1 1359032632 WEJNELMGLXRGBA-UHFFFAOYSA-N 473.364 2.917 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2(N(C)C)CCCC2)CC1 1359047830 VHROYCQVEVHROR-UHFFFAOYSA-N 494.640 2.706 30 10 JFEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1359123202 RFJKCUCDXRGMHO-UHFFFAOYSA-N 451.619 2.753 30 10 JFEE C=CC[C@H](Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1359196079 XCAYSQGFYVCZSG-PQNGQFLHSA-N 474.627 2.913 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)c1 1359243686 ALPPPQKNGIAMEQ-UHFFFAOYSA-N 452.584 2.777 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1359283122 SNRICRWGGTZERX-UHFFFAOYSA-N 461.526 2.816 30 10 JFEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359285373 DBNCJTLRHGTSNU-KRWDZBQOSA-N 465.562 2.800 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359304854 LNWALYPQEDQPHL-KRWDZBQOSA-N 490.992 2.916 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2COCCO2)C1 1359316865 XSCOHKZRDLOFKG-IAGOWNOFSA-N 479.375 2.913 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@]2(CO)CCOC2)c1 1447509771 SEROEWKAUIYGIY-OAQYLSRUSA-N 450.944 2.603 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507621484 AXTMTRZVMYTURJ-XJABCFGWSA-N 489.617 2.524 30 10 JFEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1507622759 LLXLFKDCXQLDNC-SLFFLAALSA-N 490.029 2.705 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1507625093 GAJPEKZAGWOFNP-QGZVFWFLSA-N 477.493 2.518 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507630352 XHZDBKRTBZKMRH-MOPGFXCFSA-N 493.029 2.668 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1507631105 BHALPZUMUKXKQT-PMACEKPBSA-N 474.652 2.959 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1507670701 AMGICUQDXDXMIR-YADHBBJMSA-N 484.645 2.781 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCc2ccccc21 1507704225 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C#CCC1(O)CCN(C(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)CC1 1303026875 SXTCJGUHAREDPB-UHFFFAOYSA-N 454.386 2.912 30 10 JFEE C#CCOCCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1306014236 HFDKTIKIDLRKAN-UHFFFAOYSA-N 450.944 2.549 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1314740694 AAHVCAKLSUMHJU-SFHVURJKSA-N 486.985 2.816 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1csc(-c2ccco2)n1 1316097602 DWPRKFHGHDVILB-UHFFFAOYSA-N 455.544 2.645 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCCO[C@H](C)C1 1358876558 MBMUAYYRIGFDDE-RBUKOAKNSA-N 471.602 2.930 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358899680 RZBPHBGMKFCHTI-GOSISDBHSA-N 480.569 2.578 30 10 JFEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1358912696 WRGHARDDPPWHNY-QFIPXVFZSA-N 456.635 2.500 30 10 JFEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1358932092 YDDALNBNNFOBSV-UHFFFAOYSA-N 475.597 2.671 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1358966131 IKVJPOWOHOEADO-QFIPXVFZSA-N 499.681 2.914 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358967720 QPLVYKRIWNGCDN-SYYKKAFVSA-N 472.611 2.644 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2ccc(Cl)nc2)n1 1359028512 VBEYKYMRRXOPRI-IBGZPJMESA-N 469.977 2.752 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359091922 USVDGCUUIMVQCD-BURNTYAHSA-N 464.607 2.758 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359106269 ZPGDLWJKKAEWQC-BLIXFSHQSA-N 463.604 2.641 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1359112734 RCAARBAMZCRINC-YADARESESA-N 462.639 2.862 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1359132639 BISXBOAYRGREFR-YTFSRNRJSA-N 488.677 2.582 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359199441 VXQFGLIYOAWOGS-UHFFFAOYSA-N 485.589 2.961 30 10 JFEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1)C1CC1 1359250611 OWDDJDXQDIGLMZ-MRXNPFEDSA-N 451.618 2.675 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1359259743 GSFHGUPNWLQGID-UHFFFAOYSA-N 490.630 2.984 30 10 JFEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1359283106 ROVCESWYAUJXRE-UHFFFAOYSA-N 464.526 2.742 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359309962 IORRJZXZVBTIRT-KRWDZBQOSA-N 487.486 2.853 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1359319900 ICNLOOTXTXDVHL-LEWJYISDSA-N 460.600 2.546 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1 1359327855 MQIQULHIUBINOI-UHFFFAOYSA-N 465.377 2.668 30 10 JFEE N#Cc1cc(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cnc1C(F)(F)F 1464691950 CPYAHXHTMBZIAQ-UHFFFAOYSA-N 451.836 2.704 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)s1 1472142978 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DVEAZYFVROCLQJ-OAQYLSRUSA-N 466.611 2.550 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CC(F)(F)C1 1507702537 MCKDXDIMIAGYRG-UHFFFAOYSA-N 451.905 2.993 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC(F)(F)CO2)n1 1507716033 FZEQTQHBQFALGH-SFHVURJKSA-N 491.930 2.900 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1507747616 XRRWBDKDINPBBF-ZWKOTPCHSA-N 457.600 2.850 30 10 JFEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507786654 CJOAQTBIWQONIJ-LJQANCHMSA-N 461.408 2.721 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1 1507794278 DXDSFDLNHLDTPK-CJNGLKHVSA-N 487.445 2.985 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808760 RKWLVBJJRSCWJF-NFBKMPQASA-N 473.643 2.563 30 10 JFEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507847792 KJESCLQREXHKQW-UHFFFAOYSA-N 479.672 2.943 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1([S@](C)=O)CCC1 1507998562 HCQPSSZDZSZXNM-XIFFEERXSA-N 466.611 2.766 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O 1508004532 HKMJFVRADSRBBL-UHFFFAOYSA-N 456.547 2.707 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508135729 OJEVMANBIKSKCT-IBGZPJMESA-N 460.600 2.686 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1 1508161373 LJUIHOULBGCBEK-ABHNRTSZSA-N 457.666 2.545 30 10 JFEE CC(C)NC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1509745610 DOSGXDDLOFTLNJ-SFHVURJKSA-N 453.291 2.813 30 10 JFEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2Br)CC1=O 1517414655 BBWCXMFDKXFXES-UHFFFAOYSA-N 457.357 2.967 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1539004121 RRRRFUUYUQDTDM-MRXNPFEDSA-N 458.570 2.557 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1539202051 FKYYFKBQVRYNAL-RXVVDRJESA-N 471.627 2.606 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1539218805 DMDMVESXQNHEOO-CKHPTIKVSA-N 474.602 2.840 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539219682 LWMFVMNSBOSSRJ-VQTJNVASSA-N 460.575 2.594 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539220573 TXTNNZLGBWEWIZ-NHCUHLMSSA-N 458.628 2.865 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1539224870 JJLCKFSWMJFISR-SFHVURJKSA-N 456.593 2.614 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(=O)N(C)C)CCCC1 1539400230 AOLQDSCOQFXWHN-UHFFFAOYSA-N 477.407 2.770 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(C)cc(C)cc2C)n1 1539424420 PUHMMGGVXAUDKR-QHCPKHFHSA-N 475.597 2.685 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2CCN(CCN(C)C)CC2)CC1 1539429999 FRSDFIBFHPJXJH-AREMUKBSSA-N 477.701 2.849 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccccc2OC)CC1 1539470229 ZPCYALIBDVPMSC-MHZLTWQESA-N 495.624 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC=C(C)C)CC1 1539477215 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RPFLZSPPGFYNLU-WAIKUNEKSA-N 459.978 2.804 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1540190998 AANWPMSMPKUNTR-UHFFFAOYSA-N 474.363 2.558 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540862933 MCUACWFBKRBEET-OALUTQOASA-N 494.575 2.755 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1540869299 IIUPVSIXIAHSGQ-NRFANRHFSA-N 462.554 2.755 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540898803 VNOCXVXCGIDEQC-MRXNPFEDSA-N 452.964 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540901227 WUQICFLTSHAUIP-GOSISDBHSA-N 480.034 2.500 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cc(Cl)ccn2)CC1 1541003927 WUSPLLRJXCFWCV-UHFFFAOYSA-N 478.988 2.666 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC2CC2)CC1 1541199622 DRZSURCOPDFVFR-UHFFFAOYSA-N 471.606 2.659 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1)C(F)(F)F 1541898197 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C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCSC1 1286787973 NQYSYJGJKROGRC-IAGOWNOFSA-N 464.636 2.637 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1286789049 NYIFXOBYZSXGJT-OAQYLSRUSA-N 471.577 2.865 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286792007 JRTDQVYWKJPDJT-SIBVEZHUSA-N 496.612 2.825 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 1286799723 ZGUYZTBEGCGQNK-FCHUYYIVSA-N 468.602 2.607 30 10 JFEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286824901 CEEZCSIIONNSKM-GOSISDBHSA-N 480.432 2.968 30 10 JFEE CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1286954443 CEUXHMPRMWFBRE-UHFFFAOYSA-N 475.582 2.506 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1300488778 WGSJNKQGHZYVEG-GOSISDBHSA-N 472.640 2.698 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300492324 MWDNQUXYTQYISG-IBGZPJMESA-N 488.610 2.637 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(F)c(F)c1 1300578287 AODOBSOQPMZDJQ-UHFFFAOYSA-N 453.449 2.826 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCCC2=O)cc1 1300596200 MMRXSIINTAWDLZ-ZCYQVOJMSA-N 475.593 2.636 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCSC1 1300654627 BJVLCBJXKKFVMY-HXUWFJFHSA-N 481.416 2.670 30 10 JFEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1300711494 DVQSEVQAQOZTAC-SFHVURJKSA-N 474.443 2.948 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCCCCC2)CC1 1300729344 WHXZZIFMSDAZJV-UHFFFAOYSA-N 492.668 2.914 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCNC(=O)C(C)C 1300762085 NJNBSQZJXMYHCT-UHFFFAOYSA-N 492.690 2.967 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300989719 PYRPIJKBOMGHHG-OALUTQOASA-N 497.662 2.609 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1301017188 HEQCUBJODWMWPN-HUUCEWRRSA-N 491.058 2.770 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)cc(C)cc2C)CC1 1301123628 CYXIPRDMGFOMCY-JOCHJYFZSA-N 473.643 2.987 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1)c1ccccc1 1301165907 MMOVUOINRTXFJI-CEWLAPEOSA-N 491.683 2.913 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(Cn2cccn2)CC1 1301515000 OJPNQPDKDBJDCF-UHFFFAOYSA-N 463.586 2.889 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 1301515205 RJESRTQQRWBPOH-UHFFFAOYSA-N 467.549 2.899 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@@H]2COCCO2)C1 1301556012 DXTKJRXOBITHAA-NJDAHSKKSA-N 491.633 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301585790 BHLMWFOBGKEJRZ-OXQOHEQNSA-N 466.554 2.753 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1301587034 WWGLIESCBGIASB-WMZOPIPTSA-N 467.636 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2cc(Br)ccc2C1 1301589148 OEOSXPQQAOKQRH-KRWDZBQOSA-N 481.416 2.708 30 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10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2scnc2C)CC1 1359033103 PVFDIMJOLXTOJM-UHFFFAOYSA-N 452.584 2.725 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1359039557 NNZRDSXJIYSFRO-OAQYLSRUSA-N 454.594 2.872 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CCCO)CC1 1359050567 VERCOLSPIROGGA-UHFFFAOYSA-N 490.699 2.902 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359052896 UKUYGXPNLDKCPX-UHFFFAOYSA-N 469.611 2.777 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1359054854 KCFTXZWQNCLTFM-UHFFFAOYSA-N 456.522 2.868 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1359084997 YHKWMNBWHSWNPD-WMZOPIPTSA-N 497.415 2.675 30 10 JFEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359122023 STJYOHYXEPBWCL-QHCPKHFHSA-N 460.579 3.000 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNC(C)=O)CC1 1359129568 GEEXGRWABRQNBX-UHFFFAOYSA-N 455.559 2.662 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359131939 JLBHUORENCRIPK-UHFFFAOYSA-N 474.562 2.656 30 10 JFEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359150198 RHOPACZUNGUUIZ-IKGGRYGDSA-N 486.038 2.815 30 10 JFEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359214216 VLHGOAKZDUOAHH-IAGOWNOFSA-N 472.615 2.899 30 10 JFEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359288224 MTOMXSPQTVJQSW-LJQANCHMSA-N 452.603 2.633 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1359292403 OLELQARSYPGRAP-HOTGVXAUSA-N 459.982 2.997 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(F)F)C2)cc1 1359306658 NBKBHSKJZNKWOA-NVXWUHKLSA-N 469.558 2.983 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)CC2)cc1 1359307847 WLOGUHYPCBRNEX-UHFFFAOYSA-N 471.359 2.975 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)c(C)c3c2)C1 1359313428 MBJHYSNWZVEFFR-MJGOQNOKSA-N 472.615 2.816 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCN(C)C2)C1 1359315034 MUEPZCNRARACNG-HRAATJIYSA-N 480.382 2.695 30 10 JFEE C=CCOc1cccnc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1361220483 RTYYNDQGOFCFRQ-UHFFFAOYSA-N 452.483 2.573 30 10 JFEE C#C[C@@H](CO)NC(=O)[C@H](Cc1ccncc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1450327826 FVENODXBVQNTDX-DFBJGRDBSA-N 455.514 2.642 30 10 JFEE C=C(C)Cn1c(SCC(=O)NCC2CCC(S(C)(=O)=O)CC2)nnc1-c1ccco1 1462788859 DGWZPGUXKWKEHP-UHFFFAOYSA-N 452.602 2.926 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 1465987815 GCRFHOGQTLPQSB-UHFFFAOYSA-N 450.952 2.675 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC(C)(C)C)C2CCOCC2)c1 1469447680 QZBAPIUIYDJZTD-UHFFFAOYSA-N 452.573 2.504 30 10 JFEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1F 1470521559 BJJJNQSHGNUGQG-UHFFFAOYSA-N 454.886 2.706 30 10 JFEE Cc1ccc(S(=O)(=O)NC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)c2ccccc2)c(C)c1 1474968522 DVQWCAQJORUIJO-LJQANCHMSA-N 459.549 2.766 30 10 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C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507859932 HBZYWJRYFXINEA-OXQOHEQNSA-N 458.994 2.695 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507910233 KAQBWIMNASOZEP-FQEVSTJZSA-N 473.666 2.542 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1507916093 JUXNJEIVHKTCTI-UWJYYQICSA-N 469.677 2.547 30 10 JFEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507956799 RVPGYVKTVSDGLK-OAQYLSRUSA-N 455.559 2.660 30 10 JFEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1507996228 VJBINTJBYGCEEZ-SFHVURJKSA-N 453.513 2.558 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1507998101 KPIYEFKZMAUUDG-UHFFFAOYSA-N 497.625 2.528 30 10 JFEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1508042387 FNVZRTSYHNWGIL-UHFFFAOYSA-N 454.575 2.744 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(SC)CCOCC1 1538976690 OLPLDYRHEBCLLH-INIZCTEOSA-N 476.672 2.917 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)no2)c1 1539045176 AMWVFDBAGKNXGT-UHFFFAOYSA-N 489.561 2.671 30 10 JFEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539139217 GSIFYRQBLQAVTG-UHFFFAOYSA-N 478.641 2.967 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1539211919 QBFVUFYZILCIDK-INIZCTEOSA-N 461.950 2.751 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(C(C)(C)C)s1 1539266359 OXSVZXWQHBPMER-UHFFFAOYSA-N 475.626 2.722 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1539384003 SDDYFWRUVLMJNA-YOSAUDMPSA-N 461.676 2.864 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1539395219 AHPQXBOGPYYWJX-LJQANCHMSA-N 497.600 2.659 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 1539506879 ZEWUMGDENHULQQ-UHFFFAOYSA-N 451.552 2.876 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OCC(C)C)CC1 1539849630 ZBPFNULFRVNHAR-QFIPXVFZSA-N 489.642 2.851 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1539871780 TVSYIVDOBMEVFC-UHFFFAOYSA-N 474.631 2.555 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1540007030 XREODQQGSCTPTR-ROUUACIJSA-N 462.595 2.645 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1540059008 LDRIRTRHUZJVTO-XLIONFOSSA-N 475.615 2.789 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1)C1CC1 1540109084 OWISIKQZVRCJPX-NRFANRHFSA-N 459.616 2.625 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(C)=O)nc2)C1 1540893667 HVAMQIUBVSVION-LJQANCHMSA-N 453.572 2.817 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCS2(=O)=O)C1 1540895162 MJYNONVBJPVDIF-LEWJYISDSA-N 460.600 2.648 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540902872 SOJKUMQPDXZRAK-GOSISDBHSA-N 467.636 2.982 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(CN3CCOCC3)CCCCC2)CCOC1 1547852480 CTHJQGJIUBCGIT-PXDATVDWSA-N 474.650 2.951 30 10 JFEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1555197855 BNHUUDAGCVSSEU-UHFFFAOYSA-N 489.580 2.732 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCCCc2nc(-c3ccccn3)cs2)c1 1557239347 ZRZNEJYCIPDSMW-UHFFFAOYSA-N 454.577 2.869 30 10 JFEE N#Cc1ccc(CNC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)nc1 1563701857 IEJODGIMAZJFOF-UHFFFAOYSA-N 453.499 2.570 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1587712129 NEKLRVLBKUKYDT-UHFFFAOYSA-N 494.640 2.900 30 10 JFEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1587787944 SQHMSZZDLCQSRE-HXUWFJFHSA-N 475.590 2.804 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1587865124 JQGQHIONZWDKGP-OAQYLSRUSA-N 486.611 2.792 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C(CC)CC)no1)[C@H]1CCS(=O)(=O)C1 1588045094 GZVYZGCVKJXOJC-SFHVURJKSA-N 470.599 2.850 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCN1CCC(O)CC1 1588093700 NCUSQDVFYGSGFF-UHFFFAOYSA-N 474.378 2.766 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H](C)C1 1588128437 LCABSIHMWAFJAR-VQTJNVASSA-N 458.566 2.953 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(NC(C)=O)cc1 1588173467 BCPFLPLTONPOBG-UHFFFAOYSA-N 455.522 2.589 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccc(OC)nc2)CC1 1588961837 NTPUELBHYPBSMB-UHFFFAOYSA-N 488.592 2.837 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1588968374 KKINJXCGPBORBD-IBGZPJMESA-N 468.627 2.604 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589357576 DGVLZAXQPKRBKX-INIZCTEOSA-N 477.338 2.759 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1)C1CC1 1595021054 RGXOOUHHOUUVJV-VLIAUNLRSA-N 453.996 2.604 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1595204412 CLBXJGFOSCUIGQ-XMMPIXPASA-N 450.543 2.659 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1595303015 KBFLAXCIUWGLQS-FQEVSTJZSA-N 472.590 2.977 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595366788 OORGNSHCTNDYJS-UHFFFAOYSA-N 486.349 2.853 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1595784332 DKCWBNYQTDHCQM-UHFFFAOYSA-N 498.653 2.732 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1595884279 JFADXVOLLKTTLG-ROUUACIJSA-N 478.640 2.766 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1611313518 CBUASZPOMDTHFQ-FUHWJXTLSA-N 476.507 2.518 30 10 JFEE C[C@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1612775610 BXFVPIXJLDICRF-AZUAARDMSA-N 462.664 2.821 30 10 JFEE C#CCSCCNC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O 1632027743 FLKQPGGHNGRAPY-NTCAYCPXSA-N 455.508 2.990 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1634267798 FIMMYZWJYHIPDO-KBXCAEBGSA-N 454.365 2.858 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(Br)cc3C2)cc1 1635024811 RZJUFQWIDJQXDA-UHFFFAOYSA-N 451.342 2.948 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4nnc(S)n4CC)CC3)ccc2c1=O 1638307630 WVIYEPZEHIHGPI-UHFFFAOYSA-N 456.597 2.791 30 10 JFEE C#CCn1cc(CNC(=O)Cc2cc(Br)cc(I)c2)cn1 1640012724 ISIYECJQCQWYDZ-UHFFFAOYSA-N 458.097 2.742 30 10 JFEE CC(C)CCNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1660378672 BYDRQSUAUVWBPM-UHFFFAOYSA-N 456.572 2.632 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(CC)CC)N1CCOCC1 1689834946 CHBGELKRJLRHLH-XXBNENTESA-N 487.670 2.944 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCCN1CCOCC1 1689850967 JZFWXODYAQQSRJ-FQEVSTJZSA-N 474.650 2.963 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689861479 VYGXUVIERYVCCC-RTBURBONSA-N 494.061 2.991 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccccc1)N1CCOCC1 1689867790 XWABUEDFJDPLOQ-PNJWGLBASA-N 453.587 2.534 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1689986021 HCWBIRVNYDBQOF-OAQYLSRUSA-N 465.579 2.527 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1689995954 BOSNKRCHILCCDU-HSZRJFAPSA-N 485.654 2.726 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCc2nccn2C1 1690003646 TWMLSNNCUHKBPT-INIZCTEOSA-N 452.360 2.578 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCn2ccnc2C)CC1 1690140137 NCXJFNONADVMAF-UHFFFAOYSA-N 496.413 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)C(C)C)CC1 1690148808 VUBOIMLMUVKTQS-XMMPIXPASA-N 458.006 2.895 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690157527 JAZJNCRVDIHMBX-NQIIRXRSSA-N 487.601 2.751 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1690163307 ANALXWCORVWFDE-FQEVSTJZSA-N 478.416 2.784 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCCC)CC1 1690219591 HNJUYKQDXDRMAB-CABCVRRESA-N 464.430 2.582 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)NCCCOC)CC1 1690230899 URZYZTNBKRKUFT-UHFFFAOYSA-N 497.463 2.912 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690234784 NMIZNVJQRKMIRM-OAGGEKHMSA-N 495.422 2.974 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCOC1 1690568044 YSPNXGOVHGHVCI-HSZRJFAPSA-N 453.568 2.614 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1)C(C)C 1690581751 XWWVDKBFMDXXHV-XUVXKRRUSA-N 467.705 2.821 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(F)cn1 1690619748 BJAOTZSCDMHGRC-UHFFFAOYSA-N 463.517 2.896 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C=C)CC1 1690724329 MKRKVBXADASJBU-LJQANCHMSA-N 495.646 2.590 30 10 JFEE CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1691231039 AMDYGJKTOLLWKL-UHFFFAOYSA-N 482.585 2.805 30 10 JFEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1692624527 HLGJORATOUTLFS-UHFFFAOYSA-N 450.543 2.917 30 10 JFEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 1696586539 HKKIGIMILIZNLT-UHFFFAOYSA-N 465.602 2.662 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705561932 WZMHZWOJVPOVTO-DHIUTWEWSA-N 497.665 2.896 30 10 JFEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 1705567305 WAGYZKZHMVNXCF-HSALFYBXSA-N 488.658 2.535 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1705571082 VSTLIRXUWWZMJB-JOCHJYFZSA-N 487.645 2.757 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1705583095 PVYOHKQNCURHOC-ZWKOTPCHSA-N 468.476 2.874 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCN1CCC 1705595607 YMQBJROVSSPFOL-OAQYLSRUSA-N 481.670 2.966 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1705644404 PKNIOFHNUBTGGS-QHCPKHFHSA-N 477.531 2.992 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1705664709 YPRVTQBGJPTMSW-UHFFFAOYSA-N 462.641 2.854 30 10 JFEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1705745197 CDDGUGVRIOCFGB-HOCLYGCPSA-N 469.011 2.539 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1705796264 BVRKQQRBYNVRFG-FGZHOGPDSA-N 471.627 2.599 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1705865148 RUOCCDRNMVFLQP-VLMSHNLISA-N 466.517 2.988 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1705911464 IRWXDXGHWOJJID-RXVVDRJESA-N 475.615 2.603 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1705916020 NFIJQTKHRBXEKV-PXNSSMCTSA-N 473.549 2.621 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1705916025 NFIJQTKHRBXEKV-YLJYHZDGSA-N 473.549 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CNC(C)=O)CC1 1705931768 ZPEOLZUTYMELLR-UHFFFAOYSA-N 471.583 2.645 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCCC1 1705936627 VEVHFLLEIOQRDX-UHFFFAOYSA-N 473.647 2.679 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705940640 LADOEBRLTCDMDD-AWEZNQCLSA-N 474.450 2.589 30 10 JFEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CCO1 1706956320 DPPWHUPQCDGDFO-UHFFFAOYSA-N 450.547 2.739 30 10 JFEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1707792138 AKGYPNGZVAYYRP-UHFFFAOYSA-N 492.584 2.991 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1N1CCOCC1 1722285146 TUYHWUBNXXMUDT-IBGZPJMESA-N 452.603 2.848 30 10 JFEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1722332831 DNJYOHNADZWPRG-QFIPXVFZSA-N 464.614 2.963 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722362647 OAFSOXZOGNJYFL-DENIHFKCSA-N 456.593 2.541 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CN(CC)CC)cc1 1722380415 LZCIPNXEJJIOKV-UHFFFAOYSA-N 458.566 2.969 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCCN1CCC(O)CC1 1722421741 SSWJQOCCBWUZJU-UHFFFAOYSA-N 494.409 2.780 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN(C)C2CCCC2)CC1 1722433347 RXGZYKKPNDIELH-UHFFFAOYSA-N 460.424 2.665 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN(C)C(C)C)CC1 1722444841 GSQVLYDLJAYDCH-UHFFFAOYSA-N 452.603 2.650 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2c(C)cccc2C)CC1 1722448803 YVTZWHDYBLFMQP-JOCHJYFZSA-N 465.598 2.834 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722451989 ABTAOGSVZGRPIW-UZUQRXQVSA-N 490.029 2.612 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722459362 IQADBUXSPMGDTQ-LJQANCHMSA-N 471.631 2.792 30 10 JFEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722487942 ZYXAPGVUZREKBR-KRWDZBQOSA-N 465.396 2.686 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC 1722506334 FANLXSONAODWJQ-ONTIZHBOSA-N 474.627 2.849 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1722508357 SASUBIKKEULFEM-VWPQPMDRSA-N 472.634 2.685 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722531390 MRSLTJPROJTLFM-OAQYLSRUSA-N 473.021 2.934 30 10 JFEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722684744 SKLGHQDSYXTURA-DEOSSOPVSA-N 468.558 2.743 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 1722705608 FJDOWHHCOLTGCD-UHFFFAOYSA-N 456.566 2.753 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccccn2)CC1 1722734368 FAUXTFLNVHDYNW-UHFFFAOYSA-N 484.651 2.989 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1740581275 UIJMMIYUVPFSMO-UHFFFAOYSA-N 485.032 2.824 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740618009 AMYLLVQTUXDSBT-SQJMNOBHSA-N 486.638 2.912 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1740618063 BLIFLRYENWKUFZ-KXBFYZLASA-N 498.472 2.948 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1740640351 LGAGWSSALNSVKI-ZRCGQRJVSA-N 463.582 2.751 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCc1ccco1 1740646999 HPHUIKAANHWPQM-UHFFFAOYSA-N 453.506 2.708 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CCn1cc(Br)cn1 1740674479 IOEXEBBUWANMRD-UHFFFAOYSA-N 459.348 2.984 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(C)C)CC1 1740716324 PRXDXDQTSPWVOM-UHFFFAOYSA-N 451.600 2.927 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740740126 LRXRCGFFHPFZFY-KRWDZBQOSA-N 489.374 2.629 30 10 JFEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1740803848 VYKUKQFQDFUNAO-ZDUSSCGKSA-N 454.940 2.718 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740867438 JVCLVMQLSHPFII-UHFFFAOYSA-N 466.634 2.886 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740881170 ZRTNZGUUPJJERS-SFHVURJKSA-N 462.595 2.552 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1C 1740916135 DPWGDUSDEKBXJR-VLCRHTCISA-N 469.611 2.917 30 10 JFEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740929781 HXYNWKDXLLBPAF-UHFFFAOYSA-N 491.596 2.696 30 10 JFEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1740947181 QSLMHWGYCGARHW-SFHVURJKSA-N 467.636 2.840 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740970984 GDZRLVQCLYDRKD-NRFANRHFSA-N 484.626 2.766 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCSC2(CCOCC2)C1 1740993274 VVIDOZFYDBLGKS-UHFFFAOYSA-N 498.621 2.850 30 10 JFEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1741038189 NIPCYUCZQXVNEB-GOSISDBHSA-N 497.600 2.701 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2cccs2)C1 1741080394 DCBXXXMMSBISEI-NTKDMRAZSA-N 480.594 2.803 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1741241245 HVABLXYCEWDKTM-UHFFFAOYSA-N 460.579 2.706 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)(F)F)CC2)C1 1741570580 CRHCPDQMPHNLPW-OAQYLSRUSA-N 491.562 2.858 30 10 JFEE C[C@@H](CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)N(C)Cc1ccccc1 1741819115 CZRBHTMXPHSUOJ-FPOVZHCZSA-N 493.637 2.909 30 10 JFEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1746484974 CKCIDHNXVNKJCE-JOCHJYFZSA-N 479.629 2.528 30 10 JFEE COc1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCC(O)CC2)cc(OC)c1OC 1748520478 AXJCVHUYDKMWHG-UHFFFAOYSA-N 498.628 2.948 30 10 JFEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)Cc1cnn(C)c1 1748712113 DZEKQDKZNRTRIR-UHFFFAOYSA-N 454.604 2.802 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1-c1ccccc1 1748773818 HOWLXQBGUGPLEU-UHFFFAOYSA-N 451.332 2.745 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748819486 PENOUDFPBQTDST-ROUUACIJSA-N 484.956 2.573 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cc(C)cn1 1748845804 AQPDDXXMDLAXPI-FQEVSTJZSA-N 451.575 2.671 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCc2cccs2)CC1 1749115885 WYZPMJPFIXGOAA-CTNGQTDRSA-N 472.659 2.824 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749353909 DFOLMVPCQJBONI-SFHVURJKSA-N 474.631 2.652 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749372955 BQTXKTWGAMIFTD-UHFFFAOYSA-N 471.694 2.998 30 10 JFEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749451680 CVZNWGVDQSQIJW-NFBKMPQASA-N 482.629 2.535 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2sccc2C1 1749652344 LSJXKCHTDGTOJV-UHFFFAOYSA-N 461.389 2.973 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCC(C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682101 OMIQNFMMQVMSIE-BKMJKUGQSA-N 488.677 2.569 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 1749713706 WYRDPNXPBCKPOA-BDTNDASRSA-N 473.643 2.573 30 10 JFEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749751899 DIFSKRRUFNOTFT-UHFFFAOYSA-N 455.563 2.586 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)C1 1749994342 HXBZBIBWYIZMEQ-BVYCBKJFSA-N 466.586 2.754 30 10 JFEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNc1ncc(Cl)cc1Cl 1751927980 FCBWBTNKYGTBQF-UHFFFAOYSA-N 458.357 2.994 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCC1 1760219819 PBPOFNJXMPUBLK-OAQYLSRUSA-N 470.618 2.535 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1760241721 HOUNEOSHPTWDJQ-QGZVFWFLSA-N 457.506 2.542 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1760257596 AHFZMAQZBZPZFU-UHFFFAOYSA-N 471.487 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(C)=O)c2)CC1 1760268969 TUUZOFURODVLSH-UHFFFAOYSA-N 471.565 2.621 30 10 JFEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CCC)C(=O)C1 1760281559 ONWZCBFYPPEPPC-HXUWFJFHSA-N 455.584 2.606 30 10 JFEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1760342466 DJOTVTBEPHLPSN-IBGZPJMESA-N 466.586 2.931 30 10 JFEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(=O)COC)CC1 1760343336 NWJIVEDYVBJOCC-UHFFFAOYSA-N 451.527 2.988 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1760356670 UETXZAYSHKHYAI-OAQYLSRUSA-N 455.559 2.878 30 10 JFEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCCS(C)(=O)=O)CC1 1760383522 SFFZZYJTAJWWJC-UHFFFAOYSA-N 494.687 2.918 30 10 JFEE C=C(Cl)Cn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760387353 OHNBKDOKRMVUAP-QFIPXVFZSA-N 451.999 2.910 30 10 JFEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1760432222 IHOFXIWFCZRFCY-INIZCTEOSA-N 452.328 2.764 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1760464682 MSWJVSFWOBOTQI-CQSZACIVSA-N 455.378 2.622 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760480918 ISLMEKCEISONFY-NHCUHLMSSA-N 459.616 2.646 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1760517953 CXGMJYIXOMGFBJ-UHFFFAOYSA-N 467.961 2.987 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](OCCOC)C1 1760518635 YFSHWSNTGAPHAU-HNNXBMFYSA-N 454.358 2.796 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1760521879 GJNBIKVRJBDNPY-UHFFFAOYSA-N 458.994 2.785 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](C)(C(N)=O)C1 1760551603 LTCQBVHDQBNMAE-JOCHJYFZSA-N 477.656 2.578 30 10 JFEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCOCC1 1764399011 FRMUQRDONURTEK-QGZVFWFLSA-N 460.604 2.603 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1765012611 DCHMTWSTSDQKLI-ZRCGQRJVSA-N 479.629 2.812 30 10 JFEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1766249434 GMVUALMJSPNUMW-NRFANRHFSA-N 486.580 2.902 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCN2CC)CC1 1766647880 AMNJUSQZFMUATA-XMMPIXPASA-N 492.672 2.682 30 10 JFEE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNS(=O)(=O)c2ccc(C)cc2)CCC3)CC1 1772749633 WRZJXCHXAOKZEO-UHFFFAOYSA-N 458.584 2.693 30 10 JFEE C=CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861503523 CSVLWNDIRKTXDB-OAQYLSRUSA-N 465.575 2.679 30 10 JFEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(=O)O)cc1 1862547443 VEXOSXPSEBRSJG-QFIPXVFZSA-N 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FOGPKACUCRRLBP-UHFFFAOYSA-N 451.508 2.789 30 10 JFEE C#CCCN1CCC(NC(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)CC1 1147843832 QBRRXGRRWYNQBD-OAQYLSRUSA-N 459.388 2.582 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCOC[C@H]1CCOC1 1286275864 UMTYOQLBZXKVTD-JKSUJKDBSA-N 450.381 2.947 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286338489 BSOCWXXREVZPLM-HXUWFJFHSA-N 480.569 2.795 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1286358490 HUPDCLPQHANQCP-UHFFFAOYSA-N 454.538 2.905 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386976 LJFNZXLGSWUXBK-INIZCTEOSA-N 494.017 2.750 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1286398001 VUCHFNFXDCJBIO-IBGZPJMESA-N 487.651 2.787 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCCO2 1286423004 PIWJLVIXUKTOGR-VWLOTQADSA-N 450.539 2.603 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](F)c1ccc(Br)cc1 1286464920 HDPRADHXMQPHLV-DLBZAZTESA-N 464.339 2.789 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](F)c1ccc(Br)cc1 1286464922 HDPRADHXMQPHLV-IAGOWNOFSA-N 464.339 2.789 30 10 JFEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCC(C)C)CC1 1286483701 VFEQERNVTQPIMT-UHFFFAOYSA-N 463.674 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@](C)(O)CC)CC1 1286486835 BVPDYJPEYQJFEI-OSPHWJPCSA-N 457.550 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCC)c(OC)c2)CC1 1286494395 NJUDVFZRNQGSDB-UHFFFAOYSA-N 488.592 2.685 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286534522 FVLWDJXCDBFXKY-HNNXBMFYSA-N 483.388 2.638 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(C)C)CC1 1286565131 OQUUPZGVKNGLCM-WIYYLYMNSA-N 458.632 2.920 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(OCCOC)CCOCC2)CC1 1286648793 QEBHYNVXGZCYMT-UHFFFAOYSA-N 475.615 2.638 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286692801 ORKCWYQDPHSPEE-UHFFFAOYSA-N 497.669 2.987 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286693559 UJSXAJASZUAXJK-IIBYNOLFSA-N 468.023 2.692 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1286752264 YBZFGFFWQFKUMN-JOCHJYFZSA-N 473.666 2.674 30 10 JFEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286779495 TXUYYAMJAHFGLZ-IFMALSPDSA-N 458.651 2.954 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286790733 ORFWXTHSTVWKKW-AZUAARDMSA-N 484.601 2.817 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3ccncc3)CC2)C1 1286798401 KLTMNMKOAJTZEP-NRFANRHFSA-N 453.591 2.509 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)(F)F)CC1 1286826386 GEGINYDCSBJJGL-UHFFFAOYSA-N 489.589 2.952 30 10 JFEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1288568897 HMXZLFFFRRVISS-QGZVFWFLSA-N 467.574 2.646 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 1297400076 HDTHXLWLCXCMPZ-CQSZACIVSA-N 453.333 2.895 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1300283518 NFBHTHASJVZICE-HUUCEWRRSA-N 496.431 2.598 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300322178 RFUMPTUODIBLPM-UEXGIBASSA-N 475.590 2.658 30 10 JFEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 1300343605 HFZWTNRCLJZQBV-NQIIRXRSSA-N 453.591 2.635 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1300471705 LVKWPSDDRQMTGV-HXUWFJFHSA-N 463.485 2.789 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300487843 MNDFYBNMJIKCLZ-APWZRJJASA-N 483.594 2.989 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300502708 WEMHNTYGVHLZLU-HXUWFJFHSA-N 491.589 2.781 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1sc(C)nc1C 1300606764 SYQOWFZUULIOMW-UHFFFAOYSA-N 458.613 2.777 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCC2(C)C)CC1 1300688867 LQKXZXFNAWORMW-FQEVSTJZSA-N 455.628 2.930 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOc2ccc(OC)cc2)CC1 1300719516 DUWDSEOYJJRIJY-UHFFFAOYSA-N 462.554 2.717 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1300870099 PVVSZXZDCRFVQF-WCAVRKLYSA-N 454.531 2.797 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300881563 PVOPILUOUFKKAR-LQWHRVPQSA-N 459.978 2.921 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1300889003 ONXZWHNSSTXSTF-RDPSFJRHSA-N 452.603 2.940 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1300912541 FDXPJMLOXZLZCE-IBGZPJMESA-N 476.622 2.654 30 10 JFEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CCOC)C(=O)C1 1300980004 BUWBLPBZEINTMA-UHFFFAOYSA-N 496.381 2.734 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1301150856 CKNNTEWOLRHNTG-PMACEKPBSA-N 458.651 2.954 30 10 JFEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1301372200 JRAXFXALRLPLRC-YWZLYKJASA-N 451.618 2.616 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN(C(C)=O)C1 1301417996 ZEKUDADBSGBMGN-QGZVFWFLSA-N 479.423 2.943 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301490258 OQYRWNIHJJOYAE-KSFYIVLOSA-N 490.402 2.702 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(CC)C(=O)C1 1301575299 DJHPZDYRQMGJEP-UHFFFAOYSA-N 473.643 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301577358 NHFNLMOUYOHTHE-JOCHJYFZSA-N 491.017 2.685 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1301612351 LLZDCODUSKOINV-OALUTQOASA-N 491.683 2.823 30 10 JFEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 1310556387 HGBSXCXLDHBDFF-WIYYLYMNSA-N 456.568 2.785 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C2CC2)CC1 1358890971 XXGJBSPRRPOZPI-WIYYLYMNSA-N 472.634 2.919 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCOC2)c1 1358901373 IXCSYZPRJRJRPF-LVXARBLLSA-N 481.597 2.802 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1358930512 WXSSPMDZHXFYGY-IBGZPJMESA-N 457.600 2.594 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358958274 KNYIQVKBLQEHPX-RXVVDRJESA-N 457.644 2.819 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1358960910 OBSCTYXHRSOVSS-DLBZAZTESA-N 464.542 2.577 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1358961522 AMZVNPJADSSAJD-JOCHJYFZSA-N 455.628 2.672 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358965432 VEGBZCWHMNMRFH-NRFANRHFSA-N 467.570 2.663 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)Nc1c(C)cccc1C 1358978646 QXTJJYKMONHDAX-UHFFFAOYSA-N 482.592 2.780 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H](OC)C(F)(F)F 1358987316 AXJSKGLBVIIKRV-LJQANCHMSA-N 497.543 2.626 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(=O)N(C)C)CCCC1 1358994084 DOCJVPKJFAREEE-QFIPXVFZSA-N 461.566 2.902 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)c1ccco1 1358998073 OVAFUJNBSNQYHJ-UHFFFAOYSA-N 451.914 2.996 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN(C(C)=O)C1 1359021539 SITNWQIONKEAGB-SFHVURJKSA-N 459.978 2.952 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1359030751 DQJMDBCIGIADAT-OFVILXPXSA-N 471.577 2.682 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCCCC2)CC1 1359031185 SRMAILSPFMFESL-UHFFFAOYSA-N 453.587 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC(F)F)cc2)CC1 1359044341 CREDBMPUVRLHJN-LJQANCHMSA-N 473.524 2.788 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1359046467 SNTHVMMUQWXUMN-HXUWFJFHSA-N 488.592 2.706 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1359057457 ZOZPCWILHCEOEX-APWZRJJASA-N 458.563 2.688 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359059021 YDIKKIHSJDWLDH-UHFFFAOYSA-N 458.607 2.958 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359061352 ZMEHSJYLPBSPLU-NRFANRHFSA-N 481.043 2.892 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359129611 HMQIAFUQZSOXTQ-OAQYLSRUSA-N 482.629 2.679 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359182279 ACWXQOFPBFKVGL-VXKWHMMOSA-N 499.704 2.743 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1)c1ccccc1 1359195555 OLGATIUPCSGFLE-HKBOAZHASA-N 491.683 2.913 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCOC[C@H]2C1 1359223486 MHHJBRLOERKAMA-LJQANCHMSA-N 462.392 2.821 30 10 JFEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1359227358 ZGTZFFZVFLPXOR-IBGZPJMESA-N 452.621 2.703 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(C(=O)OC)CC1 1359279389 DNRFVLSDLWGXCP-UHFFFAOYSA-N 457.531 2.791 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359296150 YNZUMFMOPKKIEQ-SZNDQCEHSA-N 494.365 2.533 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359328266 YRFXLZNQHWTJPL-HOJAQTOUSA-N 462.616 2.843 30 10 JFEE C=C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1453928873 DYPUPLJCEQHKEH-CQSZACIVSA-N 455.330 2.535 30 10 JFEE C=CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1)C(=O)OCC 1466783250 IPGZXZDZFNIWCA-NXHRZFHOSA-N 452.573 2.790 30 10 JFEE Cc1ccc(CN2C[C@@H](C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)CC2=O)cc1 1472553642 GRMQSARAMHUDKS-INIZCTEOSA-N 457.328 2.527 30 10 JFEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNc1nccc(C(F)(F)F)n1 1499184262 GWGVVCNIDPRMAA-UHFFFAOYSA-N 485.518 2.955 30 10 JFEE CCN(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1501822597 ATVGOVYLWIKRJU-YTQUADARSA-N 464.661 2.921 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1503476096 FEDIOIBMAHJICK-ZWKOTPCHSA-N 461.492 2.621 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCCC[C@H]2CC)c1 1507548557 SYOYSGBBBHHUCO-JOCHJYFZSA-N 479.629 2.737 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507629506 MXOWZOPRCFVDCE-PZJWPPBQSA-N 455.628 2.612 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507633254 FDSOJHOMOUMLFA-NRFANRHFSA-N 487.645 2.757 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507636025 XGUNWVURVNNCDC-FPOVZHCZSA-N 482.654 2.707 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507636166 ZPDWJUMRAGDYGV-LJQANCHMSA-N 461.657 2.899 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1507639232 WQUSPOIOLDYXEW-AQNXPRMDSA-N 479.002 2.797 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507665208 SPWMDLNMOAJMLD-UHFFFAOYSA-N 495.580 2.719 30 10 JFEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCN(C(C)C)CC1 1507700701 VCOPHYPFNBEWIR-BGYRXZFFSA-N 474.650 2.744 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1507715896 DMXHZDUIRKIFHX-HXUWFJFHSA-N 471.606 2.716 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)C(=O)NC)CC1 1507734651 SKHHNCGTTYCCHC-KRWDZBQOSA-N 496.681 2.869 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O 1507762007 MZHGBZKPMSAVDD-OAQYLSRUSA-N 463.991 2.635 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1507816694 FRFPTIJSZQPUJR-QFIPXVFZSA-N 451.619 2.844 30 10 JFEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1507830090 SIPOJLDNAGMKFE-UHFFFAOYSA-N 458.588 2.683 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1507867804 CDZPOTMDNLQBKL-MRXNPFEDSA-N 454.980 2.976 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507956977 BAMKXGHGEMWLAO-UHFFFAOYSA-N 491.369 2.884 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1508002398 HDORZQOBMDOZRY-SFHVURJKSA-N 456.572 2.561 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1508106318 VXXMQEKKBDIYPE-NRFANRHFSA-N 484.626 2.766 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCO[C@@H](C)C1 1508131117 KUVVXPJQMUQYJS-DLBZAZTESA-N 452.552 2.773 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C[C@H](C)O1 1514176340 ATGQFXFZZKRCDD-ILWGZMRPSA-N 468.602 2.579 30 10 JFEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1C 1515811524 DSUOPJFCUJWWTK-ZWKOTPCHSA-N 456.616 2.703 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1516585763 IBMKOFYUUYDLCG-CPJSRVTESA-N 466.634 2.918 30 10 JFEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539049068 GPROPPTUAORLNK-GOSISDBHSA-N 462.522 2.977 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539055708 GEBJLQCOHCLWKK-QGZVFWFLSA-N 465.023 2.905 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCC(OC)CC1 1539155438 VOTVZMABAYTUNA-UHFFFAOYSA-N 459.616 2.860 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539206530 QQPMATBBPSZZGU-WOJBJXKFSA-N 474.627 2.823 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539213157 WOFMUZOLAIOHQR-FQEVSTJZSA-N 453.568 2.610 30 10 JFEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 1539219042 GMIPCEGLTAAETJ-UEXGIBASSA-N 461.657 2.612 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539230197 CYBBZCHWWWSOFB-YPAWHYETSA-N 493.718 2.942 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539230254 FMCDYCJKJDYXJS-DHIUTWEWSA-N 485.654 2.645 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C)S(=O)(=O)CC 1539306316 GJVPHNYCCSMVSO-UHFFFAOYSA-N 465.982 2.872 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1539416387 NDPDWJFAUIIZGU-RPWUZVMVSA-N 499.681 2.569 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCSC)CC1 1539469983 WNZNWKDJHIOBQR-UHFFFAOYSA-N 479.448 2.765 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1539578613 ALLMSVFUOVHYFV-GFCCVEGCSA-N 480.379 2.813 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539624978 XPGYCJQIPHVYNR-CDXJDZJCSA-N 478.615 2.813 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1539630225 DENZAAYNZOQGFM-WCIQWLHISA-N 477.606 2.793 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1)c1ccccc1 1539946779 DPTHNDASXZCTFG-CTNGQTDRSA-N 459.616 2.960 30 10 JFEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NC)CC1 1539966153 FRXGYOLDQJVWOW-UHFFFAOYSA-N 452.607 2.771 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1540072494 VCUMBPDHEGLNRO-KRWDZBQOSA-N 453.609 2.616 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1540857622 JBXBCANRHLEUCK-SJORKVTESA-N 459.551 2.848 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)OCC)CC1 1540863264 SCNCUAHTBLOLPR-LJQANCHMSA-N 470.574 2.616 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540864290 VFGXREGOPWOQAA-HOTGVXAUSA-N 461.408 2.929 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1540916440 XCOOPMMPPJZVBY-GOSISDBHSA-N 457.600 2.771 30 10 JFEE C=CCN(C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 1542216897 HJAPQOHPLSAIJN-LLVKDONJSA-N 459.749 2.759 30 10 JFEE Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1543376464 FOKNPZGCEWMBPS-OAHLLOKOSA-N 472.571 2.618 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccc(OC)nc1OC 1545053554 BJEZNQITRPTHAI-UHFFFAOYSA-N 450.289 2.827 30 10 JFEE CN(C)S(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1552886767 AQWTWPAZSMZILI-UHFFFAOYSA-N 494.065 2.610 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1552911652 IEWBAMKWXHRIEO-QGZVFWFLSA-N 472.958 2.567 30 10 JFEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1)OC 1555251064 CBDKOOLPNPHJOC-HXUWFJFHSA-N 467.599 2.565 30 10 JFEE C=CCN1CC[C@@H](N(C)CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1=O 1559792931 XSQBPNMJNJDXME-XMMPIXPASA-N 457.578 2.933 30 10 JFEE CCOC(=O)c1c(NC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(C#N)cn1CC 1562960129 BZIMOCOSUXNHGD-DEOSSOPVSA-N 453.543 2.657 30 10 JFEE C#CCN(C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)[C@@H]1CCOc2ccc(Br)cc21 1564122255 SLOCHOFEXDWIHN-VQIMIIECSA-N 458.360 2.930 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)c1 1587697046 IRBOSROCHBQQKE-UHFFFAOYSA-N 499.600 2.964 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1587847867 VTQZVHJTQUZELN-YLJYHZDGSA-N 491.596 2.955 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587883485 CCCKUXBZRUAXFY-QPPBQGQZSA-N 464.614 2.568 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1588039765 DXTLDYMDKWWQGV-SJLPKXTDSA-N 478.640 2.731 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588045034 FTUMIRKCWGETDL-IERDGZPVSA-N 495.443 2.741 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOCC1(C)C 1588189493 LCDXLIVPOOUBPK-UHFFFAOYSA-N 459.392 2.609 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncc(CC)s1 1588194405 VPJVNCZJDRMSBG-UHFFFAOYSA-N 453.593 2.879 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCSCC1 1588629015 TZLKYJFQAPUGBI-UHFFFAOYSA-N 452.584 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)CN(C)C)CC1 1588890758 FRDWSPNIIJJOGG-UHFFFAOYSA-N 490.450 2.589 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1589036387 FQTYFASJTXTOBU-FQEVSTJZSA-N 471.627 2.630 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1589403791 DXFCLSYYTIOGBQ-MRXNPFEDSA-N 476.375 2.749 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccc2F)CC1 1589496614 YUBYZJQPRAKBSC-ZVDOUQERSA-N 474.581 2.844 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1589708830 WTLKRCRRFSPQJJ-CABCVRRESA-N 468.649 2.796 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593718273 RSEFCRQQMFHWRQ-CRAIPNDOSA-N 464.950 2.560 30 10 JFEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594522145 XUWRYBDGFXIHQC-UHFFFAOYSA-N 478.641 2.983 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1594625154 DXPGIJGZKQVZIG-GOSISDBHSA-N 464.611 2.904 30 10 JFEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594760744 OMRIDMQMXGSZPG-FQEVSTJZSA-N 452.559 2.913 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSC2(CCOCC2)C1 1595405595 SCBAPKSGJMGGRM-QGZVFWFLSA-N 465.620 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595799326 YVWVVJMQCRLABF-QFBILLFUSA-N 480.553 2.650 30 10 JFEE CCO[C@@]1(c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2C[C@@](C)(O)C(C)C)CCOC1 1616252641 FKMRLSUJIZTDRR-RPBOFIJWSA-N 486.592 2.675 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCCS(C)(=O)=O 1617868630 FXAKTTRZWDJICH-UHFFFAOYSA-N 477.388 2.978 30 10 JFEE COc1cccc(C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c1 1619332206 GXTYMTBHBGKOKT-LJQANCHMSA-N 480.594 2.985 30 10 JFEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N(C[C@@H](C)C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 1624273235 FQYRAFKDXDMQDM-DOTOQJQBSA-N 455.584 2.695 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1CN1CCCCCC1 1633355386 FSWOSUNIMMEWGA-LJQANCHMSA-N 454.596 2.917 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)CC1 1636475493 KSZMQEDGDWUHKE-UHFFFAOYSA-N 458.392 2.947 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 1639034752 GZAFVIOOSAVKGQ-MRXNPFEDSA-N 451.470 2.626 30 10 JFEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1649539968 BSUCGHJRNAKOOP-SZPZYZBQSA-N 492.672 2.584 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 1664839661 WHBXWCPYHDAREG-QGZVFWFLSA-N 451.589 2.918 30 10 JFEE CCOC(=O)c1c(NC(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)c(C#N)cn1CCOC 1670021520 CRZDYYAAOYYSCM-MRXNPFEDSA-N 450.536 2.918 30 10 JFEE C=CCc1cc(CNC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc(OC)c1OC 1674636133 NCLZLSIOYUDOGM-HXUWFJFHSA-N 456.465 2.805 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1689852562 HKZRRLZFYCZBPW-GBESFXJTSA-N 469.590 2.504 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCC(F)F)c1 1689871677 BLUBUBXJPCDKKT-LJQANCHMSA-N 496.518 2.925 30 10 JFEE C#CCCCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689906492 NHHSXDTYKHKCRX-RCZVLFRGSA-N 470.618 2.841 30 10 JFEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1689940173 POWGTNJQLKSABH-NRFANRHFSA-N 482.604 2.933 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689986871 YRQFFLLIGHDITA-QHAWAJNXSA-N 486.686 2.667 30 10 JFEE C#CCN(c1nnc(C2CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689988863 XOUGPOJUNRXPFZ-UXHICEINSA-N 491.658 2.962 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1690039644 NOMUGIKDLZFEML-RUZDIDTESA-N 465.623 2.625 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2c[nH]nc2C)CC1 1690112462 YJZSAQXLUJBDQS-IBGZPJMESA-N 451.550 2.977 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCN2CCOC[C@H]2C)CC1 1690117847 XWJWVLAKDGIQJD-HSZRJFAPSA-N 480.657 2.846 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1690309904 NLGSFOCOFYVEPC-FQEVSTJZSA-N 453.543 2.627 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690361549 YEUIQIBBZHBPOC-XHSDSOJGSA-N 452.943 2.839 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1690484857 FWASFBKSEOXMJE-FQEVSTJZSA-N 463.648 2.765 30 10 JFEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1696476490 IFSDTIHEPCXHLU-SFHVURJKSA-N 456.616 2.562 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1705563211 SNFPHJKGOSAUPI-INIZCTEOSA-N 466.032 2.906 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563220 SSAXTMBKIUJELK-HXUWFJFHSA-N 472.611 2.930 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705567037 SQNBPJHRTYRCMZ-IBGZPJMESA-N 458.584 2.628 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705663914 HBQWMFKJVRJOQV-IBGZPJMESA-N 473.647 2.952 30 10 JFEE C=C(Br)Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1705692119 ACCKKDQUUUNKGT-PBHICJAKSA-N 482.345 2.912 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705710721 ZJFQCXZWDBSVHM-MZKRTTBSSA-N 489.642 2.617 30 10 JFEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705721649 NYQGUJJFAKHZQJ-UHFFFAOYSA-N 487.402 2.555 30 10 JFEE C=C(Cl)Cn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705761052 YUWGWAWKKWILDN-IERDGZPVSA-N 465.986 2.646 30 10 JFEE C=CC[C@@H](Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccccc1 1705795338 HSKWSNHEXUNANR-FQEVSTJZSA-N 456.572 2.586 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1705819700 SDAVRJRROYWHMC-GOSISDBHSA-N 463.629 2.560 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705905412 UVFYZKKWLCOWOW-UHFFFAOYSA-N 475.450 2.682 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1705917040 QHNTYQPFRMAMBK-WOJBJXKFSA-N 481.519 2.998 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705931102 FYRSWVUMFFIGIX-RHSMWYFYSA-N 474.505 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(OC)C1 1705938513 AUJKNKRJNRVJMO-HMFYCAOWSA-N 454.637 2.803 30 10 JFEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1)CC(F)(F)F 1711207820 CIPTUEMXGKHDQR-UHFFFAOYSA-N 464.492 2.697 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(N(C)C)nc2)c1 1711698525 HNPOTEULXPMVTL-QHCPKHFHSA-N 451.506 2.914 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)N1CCOCC1 1722284459 YEXKFMJQXXSEJU-AWEZNQCLSA-N 464.339 2.554 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC[C@H](C(F)F)N2CCOCC2)c1 1722304619 AWLVGUKDEJEYLY-HXUWFJFHSA-N 474.556 2.814 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1722310367 LEMSUFBTPYNQRN-UHFFFAOYSA-N 498.653 2.590 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722344926 MPKOJIXARFNTCB-BJLQDIEVSA-N 475.590 2.831 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722360673 BWRZXXVPZZVEDQ-VGOFRKELSA-N 481.018 2.641 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722380796 YMEYKHFTIRZOMR-QGZVFWFLSA-N 475.553 2.828 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1722381485 CKENUNNJABXASE-QHCPKHFHSA-N 453.594 2.547 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nc(C(F)(F)F)cs1 1722392201 BJUMJMNHLYNKJD-UHFFFAOYSA-N 483.483 2.907 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H]1C 1722396238 HHLDQLKPILVARI-NHCUHLMSSA-N 470.618 2.534 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1722524033 IAFSGXQKVYZBRM-GOSISDBHSA-N 483.635 2.566 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(COC)CCCC2)CC1 1722583334 SHFBCOSHRKDVSD-HXUWFJFHSA-N 481.663 2.610 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722592557 WGQUBEDNJDFKCE-FQEVSTJZSA-N 458.651 2.955 30 10 JFEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722596818 AOFMWCNRJMWDAD-UHFFFAOYSA-N 462.602 2.902 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722603964 RBUTVJQJJVEZJY-MSOLQXFVSA-N 451.637 2.668 30 10 JFEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1722649241 NHMRKLDCKITROJ-AEFFLSMTSA-N 487.605 2.536 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722675751 RCKWKXNHZBCOKB-UHFFFAOYSA-N 481.578 2.585 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1722702322 HQHAYAIWBWWAAR-LJQANCHMSA-N 475.553 2.630 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722748847 BVCUIRNYQVVEPE-QGZVFWFLSA-N 481.018 2.974 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1723886539 FPZMZMIGKZIANN-OYHNWAKOSA-N 491.593 2.872 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nc(C(F)(F)F)cs2)n1 1726135757 BNLRZPAGJNSHES-AWEZNQCLSA-N 466.493 2.587 30 10 JFEE CC[C@@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1726945892 BMFJJYMZACHKHK-UYAOXDASSA-N 486.642 2.993 30 10 JFEE CO[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 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C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1760553835 JHBBIGZDCXJILK-WMZOPIPTSA-N 465.620 2.592 30 10 JFEE CCC(O)(CC)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764303424 CQRINEXENYKYHA-UHFFFAOYSA-N 492.628 2.669 30 10 JFEE CCCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C 1766029635 HGFBXTQABXYFDO-UHFFFAOYSA-N 488.614 2.699 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1766581187 AKEOWLHTZWGVNM-RUZDIDTESA-N 481.601 2.882 30 10 JFEE CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1(C)C 1767686126 FIVFEYSQRBILKG-OALUTQOASA-N 450.547 2.545 30 10 JFEE CS(=O)(=O)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1771342761 ABUNESVFWKAHDA-SFHVURJKSA-N 463.991 2.608 30 10 JFEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1861504478 NSUHLVLTIPPLPA-HSZRJFAPSA-N 491.544 2.507 30 10 JFEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862537864 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2.587 30 10 JFEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccc(CN(C)C)c2)c1 730443595 PWCQRJVZIQEMEL-XMMPIXPASA-N 491.661 2.929 30 10 JFEE C#CC[C@H](NC(=O)CSCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757347325 BYFFGEIJKDLBHB-NRFANRHFSA-N 452.532 2.851 30 10 JFEE C=CCn1c(CCN2CCCCC2)nn(CN2CCN(c3ncccc3C#N)CC2)c1=S 798229346 XNEWIEXBVWWZKP-UHFFFAOYSA-N 452.632 2.675 30 10 JFEE COc1cc(-c2noc(CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)cc(OC)c1OC 904672169 BDFOFYAADKKDNP-MRXNPFEDSA-N 463.450 2.692 30 10 JFEE CCC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccccc1 1083967835 HFVLUEDLMZJHNL-UHFFFAOYSA-N 453.528 2.720 30 10 JFEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCC(=O)OC(C)C)n[nH]1 1084034072 HPOGYNUKUSWQQJ-UHFFFAOYSA-N 484.586 2.625 30 10 JFEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(Br)c3)n2N)cc1 1084291471 BQWBEBVIPIGWSZ-UHFFFAOYSA-N 476.360 2.940 30 10 JFEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)CC1 1129453174 FDRSEPGRIQOVQS-FQEVSTJZSA-N 454.552 2.667 30 10 JFEE 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C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1705509651 IJOQLLBVMGNZQS-SFHVURJKSA-N 459.616 2.568 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705524666 QGRJIMNASFIBGM-QGZVFWFLSA-N 463.579 2.879 30 10 JFEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705543492 IREVXVUWXJFEGH-UHFFFAOYSA-N 458.570 2.588 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1705560936 MAOJELJAYSCZNV-FQEVSTJZSA-N 472.611 2.930 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1705590830 XJPCTENSTGTLPN-QFIPXVFZSA-N 467.536 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CC1(N2CCOCC2)CC(OCC)C1 1705593483 BROHYIGOZUGKKH-UHFFFAOYSA-N 461.610 2.986 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1705599222 WMMOLYNEGWDDAJ-NLWGTHIKSA-N 452.580 2.576 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1([S@@](C)=O)CC1 1705624023 NKHQDKMWFAOKNH-GDLZYMKVSA-N 481.416 2.713 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@@H]2CCOC2)CC1 1705639150 HMRJBTIEINZILE-RTWAWAEBSA-N 472.634 2.574 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](C)C2)CC1 1705651034 HEHITTCSPPDPPK-ZWKOTPCHSA-N 468.627 2.672 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705679315 JKUYGQFAEMNMRA-UHFFFAOYSA-N 474.363 2.640 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705693300 DXINQPKINXZZLC-IFMALSPDSA-N 489.580 2.903 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705694925 UNOGWCXMQMTNCP-QYZOEREBSA-N 473.647 2.737 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705734404 OCFSIISZYAFSCK-UHFFFAOYSA-N 450.503 2.563 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1705736143 LQDVMDCSBWQJMJ-YLJYHZDGSA-N 468.558 2.976 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1705748068 AWDLMMROOOFAFG-UHFFFAOYSA-N 454.844 2.567 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705819310 IYWCHKOGCVBXNZ-NJYVYQBISA-N 490.649 2.710 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1705819679 RNBVDDZIRHSTLI-HNNXBMFYSA-N 451.980 2.875 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705896141 CLJXGUZAMFSBJF-INIZCTEOSA-N 490.402 2.784 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705897088 FWBMPUGRATULPZ-ZEQRLZLVSA-N 479.673 2.727 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1705909646 CWLPMQCUUINZTR-UHFFFAOYSA-N 484.626 2.757 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN2CC)C1 1705920526 ZCBYTMNXFKNUEU-UXHICEINSA-N 459.616 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705937561 XQSKSMSIUAYFFA-HSZRJFAPSA-N 487.651 2.641 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)C[C@H]2CCCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938657 GMQYADDAVNJCBB-CEXWTWQISA-N 497.662 2.655 30 10 JFEE CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)N(C)C 1706365379 HITPDBFKKLXCRG-PZJWPPBQSA-N 482.608 2.543 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1710015861 DIKAXZRKEKLYBM-RXVVDRJESA-N 453.591 2.564 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712322223 GDZQVTQDYACNEV-SANMLTNESA-N 475.597 2.630 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722284112 KRJNTRYQPFKLLQ-IBGZPJMESA-N 473.581 2.640 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)N1CCCC1 1722295296 VKUXCEYNTWUJOX-UYAOXDASSA-N 457.648 2.817 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1722308035 DOWOFIXSIJYTKQ-IBGZPJMESA-N 476.622 2.543 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccnc1OCCOC 1722350624 BIARCALEUFGSDJ-IBGZPJMESA-N 484.601 2.931 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722360832 WKSBDVDAGTYOIG-NQIIRXRSSA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1722364031 WIBZVLVGWRNOMZ-JOCHJYFZSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722367339 VRHAQSZDKMOJCJ-NZQKXSOJSA-N 477.030 2.964 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1722370591 OYVKSVOQAIAFDG-KRWDZBQOSA-N 466.991 2.562 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN(C)C(=O)OC(C)(C)C 1722399767 SJTMRLQDZDZCDJ-UHFFFAOYSA-N 461.570 2.846 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2csc(CC)n2)CC1 1722433619 BZWYKCLAMVHDCE-UHFFFAOYSA-N 466.611 2.979 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1722448791 YQQCHEGBSXFWKZ-OKZBNKHCSA-N 480.535 2.564 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1722504386 ZGCAONRQQNQTSZ-FHWLQOOXSA-N 451.637 2.561 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)cc2)CC1 1722584446 ZGNFOWPMSHRQTR-HXUWFJFHSA-N 480.034 2.910 30 10 JFEE C=CCCCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1722598828 PFEFCQFZJGEZGJ-IBGZPJMESA-N 474.610 2.946 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)[C@@H](C)CC)C1 1722715933 VSVIGZWMPPNKHS-ATLLOTDBSA-N 466.586 2.770 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)[C@@H](C)C1=O 1723454559 AHTRAMWEXDVSGX-RTHCMUBDSA-N 468.627 2.811 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)[C@@H](C)C1=O 1723469140 HIODNCVXNWTHGG-RXVVDRJESA-N 452.559 2.601 30 10 JFEE COC[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730446973 HVTOSXWYMHGIJZ-GOSISDBHSA-N 477.569 2.838 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)c1 1740562541 ONTGJOGNJRHPML-IBGZPJMESA-N 457.600 2.599 30 10 JFEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740574177 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30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCS(C)(=O)=O 1690236246 KEOLCRIKZBVLDI-UYAOXDASSA-N 475.615 2.609 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690245661 LGPBXZOODUWYHG-UNJWAJPSSA-N 488.633 2.950 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1690569558 IZYPKHOFCHAHQZ-UNMCSNQZSA-N 470.593 2.918 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1690632588 DTOIUOSMJNKQTE-WOJBJXKFSA-N 472.659 2.529 30 10 JFEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690675174 QZJIHXGDRKEVJI-AZUAARDMSA-N 493.612 2.933 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 1690682794 ZDVZKKVKILLZAG-ZIFCJYIRSA-N 463.604 2.505 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690719748 SECUZUXIMYJITD-FQEVSTJZSA-N 485.614 2.604 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CCc2cccs2)CC1 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C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1722512824 MMUCHNYWPQIMFT-UHFFFAOYSA-N 450.543 2.767 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722617421 JSPXPGBRRTXMNN-MPGHIAIKSA-N 478.446 2.597 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCC2CC2)CC1 1722692676 URECQXAKWIPGSC-UHFFFAOYSA-N 466.586 2.845 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1722699405 HQTLPSTXFNINEE-UHFFFAOYSA-N 456.591 2.513 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](COC)C2)cc1 1722704212 CYVMXDIGSDBUCZ-VQTJNVASSA-N 460.600 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1722727993 SHJYUXSNQVOADX-IBGZPJMESA-N 461.636 2.661 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722733710 JFLXLMQYYQTWPU-UHFFFAOYSA-N 471.052 2.773 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCc1cnccn1 1722737505 JDZLDSMORNPJEL-UHFFFAOYSA-N 462.583 2.580 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1722754028 HMHRZTKGAITKNO-KRWDZBQOSA-N 466.496 2.897 30 10 JFEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1nccs1 1723821091 AJAKYAZGDNLORP-WMZOPIPTSA-N 485.639 2.843 30 10 JFEE CCCN1CC[C@@H](Cn2c(-c3ccc(OCC)c(OC)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1728120140 BWWPEQIJEOCRCE-QUCCMNQESA-N 454.575 2.813 30 10 JFEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 1729595609 GIJLIPWTFXMRFH-RXFWQSSRSA-N 495.628 2.577 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740623869 BZPFIJYMTRMHCF-RBUKOAKNSA-N 478.688 2.544 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1740632565 UASAMBSRZLJQMV-DEOSSOPVSA-N 459.591 2.695 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC(C)C)NC(=O)OCC 1740669089 MAODHLVHFJMQNW-SFHVURJKSA-N 479.585 2.812 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1740680831 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C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1748730886 QOPNYMCLKGRQAD-FDFHNCONSA-N 456.635 2.560 30 10 JFEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1748761231 QXXZREKQQZGNMT-UHFFFAOYSA-N 451.506 2.535 30 10 JFEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1748761274 SKMOFBZIRQPDTD-NRFANRHFSA-N 464.614 2.676 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1748805572 UVALTSPCJSGNPY-QFIPXVFZSA-N 483.682 2.963 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748807695 BHEQFILJFROLRE-OXQOHEQNSA-N 462.019 2.708 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1748810111 ZHUIJBMKISXYJO-MRXNPFEDSA-N 498.436 2.795 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1748810615 YKOQWRZNZOINAH-IBGZPJMESA-N 467.595 2.793 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@@H](C)C1 1748939993 BPIPYPJUFYCNHB-AQNXPRMDSA-N 490.649 2.788 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@H](C)C1 1748939994 BPIPYPJUFYCNHB-UFYCRDLUSA-N 490.649 2.788 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C(C)C)C(C)C)CC1 1749010275 KELAACCVRZUCKR-UHFFFAOYSA-N 480.613 2.758 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1749033355 DXBVCEFRQYDTLE-QZTJIDSGSA-N 477.537 2.775 30 10 JFEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749175236 ALHRHSPMAYBCLE-QHCPKHFHSA-N 454.619 2.761 30 10 JFEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1749184362 RFDSLFRUFNOFRK-GOSISDBHSA-N 461.010 2.838 30 10 JFEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1749420835 FIXCYJJWPXWGNQ-UHFFFAOYSA-N 452.538 2.545 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1749663538 JEWLZRCEEMJRCX-UHFFFAOYSA-N 479.972 2.648 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749676558 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C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740582630 PUCNMSQGVZSHMT-KRWDZBQOSA-N 472.540 2.749 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619240 GVFUXEBHNQYXNI-OAQYLSRUSA-N 457.644 2.999 30 10 JFEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1740620865 YMUSRNKABMRKGL-HRAATJIYSA-N 499.058 2.515 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1740621257 JSIDGPBLCABTQW-SFHVURJKSA-N 473.505 2.617 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1740644074 SFLPKWBGRLUPJV-DQRAZIAOSA-N 499.358 2.763 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1noc(CC)n1 1740660771 CJFKNRRUUGFRCD-HDICACEKSA-N 467.574 2.700 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCCCCC2)CC1 1740692371 IZJMWJQIGSYEOB-UHFFFAOYSA-N 453.587 2.803 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740777680 XRDPLQSIQMZVSZ-UHFFFAOYSA-N 474.569 2.544 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740799193 HOEWGDHWQOUYCH-RUZDIDTESA-N 487.576 2.904 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1740803847 VYKUKQFQDFUNAO-CYBMUJFWSA-N 454.940 2.718 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1740938806 MHZOQLPZHVSSLF-IBGZPJMESA-N 486.686 2.934 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740989104 ZZGCWNVHLCVBTL-OAHLLOKOSA-N 484.409 2.664 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740992939 PRYIDWVSJIRZLW-APWZRJJASA-N 470.426 2.885 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)Cc2cc(C)on2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740993632 GKXQSSPRCYWZCA-CALCHBBNSA-N 494.618 2.582 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1747435106 BVQXPGUQMGHFDS-VQTJNVASSA-N 499.685 2.845 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(SC)CCOCC2)c1 1748578138 CTBRJNAIYWXBIV-LJQANCHMSA-N 459.572 2.603 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1748763876 BSOQJDKJVQOBKE-CTNGQTDRSA-N 499.660 2.553 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748808982 JLIJGSVDDZOVHO-IERDGZPVSA-N 450.992 2.776 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1748824333 OGCPFPFYVLBUBY-CUWPLCDZSA-N 493.029 2.952 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1748824916 MNWOKBDYHPCBGA-LJQANCHMSA-N 469.549 2.575 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCN(C)S(=O)(=O)CC 1748917294 UAWSGLXZZDTPRY-UHFFFAOYSA-N 486.411 2.978 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)CN1CCOCC1 1748926073 QBIILLSEQVQBRE-FQEVSTJZSA-N 474.650 2.820 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCc1cnc2c(Cl)cnn2c1 1748960269 FWIJPGYUBMNBOM-UHFFFAOYSA-N 450.934 2.673 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749024267 LCUKTVUIPVWCTG-SFTDATJTSA-N 458.584 2.713 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749040010 IUUSQONVNAFVNA-HSZRJFAPSA-N 452.672 2.760 30 10 JFEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1749104269 OKXGGTUKQOPKKL-GJZGRUSLSA-N 472.384 2.720 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C 1749121886 QEEBNJNYMPCYNK-GLJUWKHASA-N 463.380 2.684 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@]1(OC(C)C)CCOC1 1749140638 RRVMCAFVHFEILG-PTLVVNQVSA-N 458.607 2.978 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1749159379 TWBCRCIZEVJASJ-LJQANCHMSA-N 469.558 2.534 30 10 JFEE COC[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749317151 HEXBAPUMCWTGAQ-GOSISDBHSA-N 452.559 2.602 30 10 JFEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749376017 OFAAZBNPJOSVLC-UHFFFAOYSA-N 495.657 2.816 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749414196 ATWDCVGNHGFOSG-LJQANCHMSA-N 488.658 2.855 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749445724 WPAGXWOFKYCYJJ-UHFFFAOYSA-N 492.422 2.966 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1749532629 VDCMRRVSGJEXRB-NRFANRHFSA-N 462.579 2.882 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1749670784 VNQYMSGDEBRUIS-ICSRJNTNSA-N 498.632 2.770 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C)[C@H]2C)cc1 1749683562 XYJDLNBUPBTOPN-GVDBMIGSSA-N 465.645 2.832 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C[C@H]1CCOC1)C1CC1 1749724400 IRJFQOTUMSULTF-CQSZACIVSA-N 484.420 2.642 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1750061835 ACUKWRHAJUFUBG-OLZOCXBDSA-N 487.449 2.646 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1751192754 AWSYOXCWAZJNMW-URVUXULASA-N 487.674 2.929 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc2c1OCCCO2 1760122299 IYRGOBYIFNGFBB-INIZCTEOSA-N 451.552 2.937 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760190310 ZPIZMWOJLZHVIC-NQIIRXRSSA-N 474.602 2.916 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1760220070 WAPBUSPHJNPPSM-JOCHJYFZSA-N 493.612 2.559 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1760249425 LJYQSVMESPGZBK-LJQANCHMSA-N 499.568 2.641 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCn2ccnc2C)CC1 1760252811 WQUAXKGZCSPTFV-UHFFFAOYSA-N 495.031 2.602 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(OC)CCOC2)CC1 1760267179 IJRHWSXQWDMBFF-HSZRJFAPSA-N 475.952 2.509 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1760281504 NMYCNVSJJUUIGA-IBGZPJMESA-N 469.611 2.510 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760283889 CFXNXNRLSYYVDT-UHFFFAOYSA-N 460.607 2.901 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCN(C)CC1 1760288165 SUOFPLSHWFLKAX-JOCHJYFZSA-N 453.616 2.745 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760341262 OISRANHKMHDZAD-GOSISDBHSA-N 495.049 2.545 30 10 JFEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760382177 KRFKIPQGQWUIFU-ZWKOTPCHSA-N 463.579 2.995 30 10 JFEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760392151 GGOIKUSLACKMAZ-UHFFFAOYSA-N 477.656 2.701 30 10 JFEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1760417280 AINPVKJXBCBHBD-QFIPXVFZSA-N 487.608 2.873 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CNC(C)=O)CC1 1760516382 MCZQNTHYZZYWDY-INIZCTEOSA-N 474.993 2.726 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760548419 GNNXYAJWHNLTDO-UXHICEINSA-N 487.626 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1760557027 XWSXMNNFTPIKLD-UHFFFAOYSA-N 489.598 2.524 30 10 JFEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)COC)CC1 1760561425 ZUILJTRCLAVQAZ-UHFFFAOYSA-N 480.432 2.922 30 10 JFEE Cc1nccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)cc1F 1762347667 FOAXZUNHNUMZRP-UHFFFAOYSA-N 450.522 2.838 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C1 1766186855 GDWASNZJEUVZTD-NRFANRHFSA-N 458.570 2.901 30 10 JFEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1766306907 CNWWMJZARQOCCP-HXUWFJFHSA-N 466.567 2.672 30 10 JFEE CCN(C)C(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1766375625 FCOFSIFRMXURAA-VWLOTQADSA-N 476.585 2.844 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1768201755 DVCUHFIWOIEZCS-WJOKGBTCSA-N 475.640 2.521 30 10 JFEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1769189985 AHUQRUHVCBQGCH-MHECFPHRSA-N 455.559 2.786 30 10 JFEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C(F)(F)F)CC1 1770744093 FKOUPRRNUYVKOY-MRXNPFEDSA-N 453.490 2.987 30 10 JFEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOc2ncccc2F)CCO1 1770746609 IBVSYSCJZUQOKN-INIZCTEOSA-N 460.416 2.888 30 10 JFEE COc1ccc(CC(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)cc1 1858452327 AGFCGVDCFRRYPD-UHFFFAOYSA-N 491.573 2.654 30 10 JFEE C[C@@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)N3CCNCC3)c2C#N)C1 1858818380 MCRNJIBSIMAOGQ-CQSZACIVSA-N 454.556 2.594 30 10 JFEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862574304 IGHQHWLWWSHDOG-JOCHJYFZSA-N 468.506 2.817 30 10 JFEE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868782262 FZCMPEROBIIVAZ-LEWJYISDSA-N 491.727 2.815 30 10 JFEE Cc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(I)cc2)cc1 1870098850 GEYFFKOTLKYFNB-UHFFFAOYSA-N 465.276 2.853 30 10 JFEE CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccccc1C#N 1873868766 QCTNRSDYMKIVCZ-GCJKJVERSA-N 486.569 2.878 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc(C)ccc1O 1874335227 KDHBRNLJNLUTSL-AMAFCZHPSA-N 472.615 2.859 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1F 1874431274 IJYFYWMXGGBRJD-YCPBAFNGSA-N 462.457 2.945 30 10 JFEE Cc1nc(-c2ccccc2)sc1CC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889568692 ALRDSCFNCVXBKH-UHFFFAOYSA-N 466.651 2.919 30 10 JFEE N#Cc1ccc(CS(=O)(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1 2074668226 BFZHJYSEYTXZKQ-QHCPKHFHSA-N 491.525 2.860 30 10 JFEE C#CCNC(=O)CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2132089290 XIPXBJDSSRNRTB-UHFFFAOYSA-N 471.295 2.508 30 10 JFEE CCn1ncc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c1NC(=O)OC(C)(C)C 2188944916 XFCRWIDKTDYDKU-UHFFFAOYSA-N 458.328 2.592 30 10 JFEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H](C)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2222517006 SZRNOBWGUIZQBW-MWTRTKDXSA-N 453.580 2.724 30 10 JFEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247824735 ZYHQVJOWPGWZFB-SSEXGKCCSA-N 458.411 2.810 30 10 JFEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2267108260 UWJVREUPUUDGQW-UHFFFAOYSA-N 460.327 2.886 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267173894 AZQLURIEELOWKF-SOUVJXGZSA-N 463.409 2.818 30 10 JFEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267287261 UUECVHGSFMOUJZ-CHWSQXEVSA-N 460.327 2.967 30 10 JFEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267376450 WDPCARAVTOYOOX-WIYYLYMNSA-N 456.417 2.785 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267479791 PZEBJPJHLDQPCU-CQSZACIVSA-N 459.274 2.566 30 10 JFEE Cc1cc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2267706806 FVCLWPCOSNKMBR-HNNXBMFYSA-N 486.465 2.937 30 10 JFEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267716022 GWXGHLTXXFARFP-LSDHHAIUSA-N 486.465 2.971 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268708838 HGLUIURKHNYWBQ-HNNXBMFYSA-N 466.409 2.690 30 10 JFEE COC[C@H](CC(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 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C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1593671280 CVVAINLHNMXZKV-UHFFFAOYSA-N 460.586 2.977 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1594733335 REEINWCTWNZHJG-HXUWFJFHSA-N 463.648 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H]1CCCO1 1595766776 XAWRDWQIAJUSEP-GOSISDBHSA-N 456.572 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595773327 XQXCFDLSLLEYAF-LJQANCHMSA-N 476.521 2.977 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1595838089 KJLKWISTYVASKR-UHFFFAOYSA-N 464.542 2.786 30 10 JFEE Cc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CC(=O)NCC(F)F)o1 1612041511 AYFBFTBQLDQUJJ-UHFFFAOYSA-N 473.459 2.565 30 10 JFEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1613438805 DWHMIJLNJNOBCO-QAPCUYQASA-N 491.390 2.653 30 10 JFEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(C)(C)CN2CCOCC2)cn1 1615704256 ICYUFLOJJNNUHC-UHFFFAOYSA-N 462.602 2.876 30 10 JFEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2nccs2)CC1 1619553818 DJBXDOVOJSKIGE-MRXNPFEDSA-N 465.583 2.808 30 10 JFEE CC(=O)N(c1ccc(Cl)cc1)c1nc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1620635479 OMJMBGSMXPJTKJ-IFXJQAMLSA-N 450.973 2.851 30 10 JFEE C=CCC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1623969599 OVIQWKFYHZTXCB-RHGYRFJNSA-N 450.535 2.814 30 10 JFEE N#Cc1ccc(OC2CN(S(=O)(=O)[C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)C2)cc1 1654902199 FQHBYQJTKZIWBC-OAQYLSRUSA-N 459.955 2.909 30 10 JFEE C#C[C@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)c1ccc(Br)cc1 1662180971 HUFJTDPNKXEVGK-SSOJOUAXSA-N 456.387 2.962 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1689851145 MKZGYTIXYRDLAR-QWHCGFSZSA-N 457.419 2.705 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1689915282 WQVIGWOWPZAYJJ-APWZRJJASA-N 461.408 2.616 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689980344 QBPOJAKETXFHEN-MJGOQNOKSA-N 464.563 2.609 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689983777 HEZYNCGVCAXULM-WMZHIEFXSA-N 485.997 2.528 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@]2(OC)CCOC2)CC1 1690117405 GNHMZRVBHKRFSA-SANMLTNESA-N 467.614 2.931 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nnc(C)s2)CC1 1690152268 DZXHVIMOYTVOPO-UHFFFAOYSA-N 493.637 2.842 30 10 JFEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690508297 GAJQIKLZHWBWQJ-GOSISDBHSA-N 476.622 2.652 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1690603839 JKMQTCQJRAPPGP-FQEVSTJZSA-N 454.600 2.506 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1690627631 ODIXPRMUPMMFSB-INIZCTEOSA-N 484.992 2.876 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CCN(CC)CC2)C1 1690694326 MSDDKMRACHGGNV-RTWAWAEBSA-N 454.619 2.761 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1690742558 UPCNFPJQPHQYJN-UHFFFAOYSA-N 453.616 2.642 30 10 JFEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1691730166 FDPKRXHZQXWFFV-LJQANCHMSA-N 454.600 2.848 30 10 JFEE CC(C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CC1 1692369300 ANHJHVYTWIKAPD-ICSRJNTNSA-N 450.653 2.677 30 10 JFEE CC(C)CO[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)n1 1692440399 BBDQDXVFVOUXLD-INIZCTEOSA-N 466.546 2.658 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)N1CCOCC1 1705481510 HYQZCGFMGLGWRS-QGZVFWFLSA-N 457.575 2.540 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1705531288 FECBRYGHTZDWLT-GOSISDBHSA-N 461.570 2.706 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCS(=O)(=O)C1 1705560647 MHOCWJRQVWIORV-OAHLLOKOSA-N 496.536 2.581 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1705571768 HPRSRADMICHHIH-NRFANRHFSA-N 485.679 2.767 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN(C)S(=O)(=O)CC 1705577086 VQGJSOWPMRCIMH-UHFFFAOYSA-N 468.410 2.996 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1705596184 WDUWUGPPRYFGBV-UHFFFAOYSA-N 474.956 2.688 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ncccc1N(C)C 1705622647 OKFCJIQYXUNHMD-UHFFFAOYSA-N 456.554 2.931 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2c(CC)noc2C)CC1 1705634809 JRUUKOIKURLVGT-UHFFFAOYSA-N 472.391 2.708 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCc3cc(OC)ccc32)CC1 1705644477 RPEIWPUHEAMSQN-OAQYLSRUSA-N 492.624 2.511 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1705661591 FZVKIXCEXYCKRO-LEWJYISDSA-N 474.652 2.732 30 10 JFEE C#CCSCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1705664775 ASTZDFPVELCPMS-FQEVSTJZSA-N 487.695 2.880 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705699839 MCKMTFHPDNPCTF-VQHPVUNQSA-N 462.538 2.940 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705702735 OGEBZGSMYQWRPI-UGKGYDQZSA-N 455.607 2.973 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705739484 HOCTUGIBECKEMW-UHFFFAOYSA-N 490.612 2.998 30 10 JFEE C=C(Cn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1705743774 HYVLJHJLXVUEQW-KDURUIRLSA-N 452.559 2.698 30 10 JFEE C=C(Cl)Cn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705761054 YUWGWAWKKWILDN-KKSFZXQISA-N 465.986 2.646 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)CCCOC)CC1 1705769507 UVJQUGAYFYISTP-FQEVSTJZSA-N 478.638 2.711 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705802106 BNRFRPKGWSQPEK-ZCNNSNEGSA-N 490.649 2.992 30 10 JFEE C=CCCOCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705832210 QOWZECAAXXDOHQ-HYBUGGRVSA-N 464.607 2.686 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705873103 XEPKGCVZVXRTAI-SFHVURJKSA-N 452.584 2.953 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705887816 GLZYYEFDDIPFSN-UHFFFAOYSA-N 484.022 2.670 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1705914805 FOACSXOSUATKRD-SQGPQFPESA-N 464.563 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(CC)C1 1705935398 QCNRQJBZJLEMRV-OAQYLSRUSA-N 454.543 2.753 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1710045892 FWSVGRWJBFGNQJ-MHZLTWQESA-N 493.656 2.748 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N(C)C2CCCCC2)CCOC1 1710451932 GLMOJMSXNBTHTC-DEOSSOPVSA-N 458.607 2.851 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(F)(F)Br 1722293590 DDVRSXQZGMNMNX-CYBMUJFWSA-N 454.323 2.898 30 10 JFEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722316553 FDSFLZBTFBPCPL-UHFFFAOYSA-N 458.557 2.597 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722363894 CLVDXWDLCODKIY-GMAHTHKFSA-N 487.645 2.755 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cc(C)cn1 1722429984 YCEBECFRXRWYNW-HXUWFJFHSA-N 471.606 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCC=C)CC1 1722443959 RDGFAHVCVCVVIF-UHFFFAOYSA-N 459.392 2.978 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(O)cc2)CC1 1722444005 SFKFNZHOKWMPCJ-UHFFFAOYSA-N 483.370 2.755 30 10 JFEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722455630 UKKDQORHYXNWCL-UHFFFAOYSA-N 479.654 2.993 30 10 JFEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1722569442 ZUCYELJAPBSMDZ-UHFFFAOYSA-N 457.600 2.562 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)n(C)c1=O 1722661203 WSHKBASQFKBDPV-UHFFFAOYSA-N 452.584 2.824 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(=O)NC(C)(C)C 1722694185 NJJIHAXNXRBKJL-UHFFFAOYSA-N 458.632 2.929 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(Nc3ccccc3Cl)CC2)nnc1[C@]1(OCC)CCOC1 1722703908 LIYOEIOUDXBARK-DEOSSOPVSA-N 489.020 2.967 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccc(F)cc23)C1 1722710735 NXKBCOLLKGQMEP-CRAIPNDOSA-N 476.578 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461.607 2.904 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)c2nccs2)CC1 1690133641 OIUWOYMUSVUEEW-SFHVURJKSA-N 452.584 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690146265 JNLVIACUHSGSEH-FPOVZHCZSA-N 470.643 2.502 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCSC2(C)C)CC1 1690150596 NOFCVGDGHBWKQE-FQEVSTJZSA-N 452.628 2.761 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690154041 IDVUHCSEDRGBHP-QZTJIDSGSA-N 476.647 2.620 30 10 JFEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690165633 FPOOOUTVLZJLNW-UHFFFAOYSA-N 466.655 2.836 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1690218738 PUCOBAVAWQWGHU-UHFFFAOYSA-N 477.363 2.956 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COCc2ccccc2)C1 1690219426 DLAVLZZACOFUBH-SJLPKXTDSA-N 498.447 2.840 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1690299232 KCXJFPMBKSWYAS-UHFFFAOYSA-N 481.601 2.890 30 10 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OFIGNCAWTBJYPU-IBGZPJMESA-N 462.616 2.844 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1705934693 UVZXZLIYEIMVMG-MRXNPFEDSA-N 459.572 2.910 30 10 JFEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)N(C)C(=O)OC(C)(C)C 1706782615 BSIZBDOCJUHQMS-INIZCTEOSA-N 458.588 2.641 30 10 JFEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1)CCC(F)(F)F 1710149643 GQOGIMIQFAOBLU-LJQANCHMSA-N 475.519 2.902 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCSC2)c1 1722307235 SDKXMBASHYXMFZ-DXIQSLLYSA-N 469.611 2.811 30 10 JFEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722321071 UQPJOHVUBLOQSC-UHFFFAOYSA-N 472.553 2.657 30 10 JFEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722341816 MYWJFTWKZVLHLO-AVRDEDQJSA-N 452.534 2.753 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCN1CCOCC1 1722400617 URTLQLIQIQCXND-QHCPKHFHSA-N 498.672 2.968 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)(F)C(F)F 1722412649 COLLPFKUOMUTQZ-HNNXBMFYSA-N 493.502 2.963 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1722447038 BXASTXRVTNAWIX-DEOSSOPVSA-N 478.641 2.638 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C(C)C)CC1 1722449231 IEORZDJMNGIFCD-UHFFFAOYSA-N 470.643 2.918 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1722458785 STXALHHAAGHGEL-KRWDZBQOSA-N 472.615 2.505 30 10 JFEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722522532 VBRDEQYUHVRRAY-ZWKOTPCHSA-N 467.636 2.982 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722522801 DDPKSTOXLDNHHH-INIZCTEOSA-N 451.531 2.528 30 10 JFEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722524370 FWXIZKFIAQXWLW-HXUWFJFHSA-N 474.600 2.954 30 10 JFEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722627551 LQKDZFGKOPUJKK-DFBJGRDBSA-N 490.649 2.948 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1722715321 NUXGEMZNJNSQDX-QAPCUYQASA-N 468.526 2.763 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](CCOC)C1 1722726816 FOWLZBPMBPBZTQ-GOSISDBHSA-N 457.600 2.900 30 10 JFEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722734861 KMDYJLAAPFYUOO-ZDUSSCGKSA-N 460.423 2.578 30 10 JFEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722735047 JFSXICMULHDOAS-ROUUACIJSA-N 453.620 2.759 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722737238 XSMRMPPSXBEOKI-KRWDZBQOSA-N 464.636 2.879 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722752214 YXOAUZXBEZKZRS-JENIJYKNSA-N 494.683 2.972 30 10 JFEE C[C@@H](O)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1723971407 HJDDBRZVJZALCS-IVZQSRNASA-N 454.531 2.813 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1729396183 AFFUELRGCJGAJN-IBGZPJMESA-N 475.519 2.793 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N2CCCC2)nc1 1740540557 WQDUJBZKMGAQCU-LJQANCHMSA-N 493.637 2.697 30 10 JFEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740573503 QNHWRSKPADQOLI-UHFFFAOYSA-N 470.568 2.695 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)C1CCCCC1 1740638925 QFYILIQOJNFUFY-AREMUKBSSA-N 461.614 2.856 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccnc(C(F)(F)F)c1 1740684506 TUOZREDVSGASIC-UHFFFAOYSA-N 462.432 2.554 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccsc2)CC1 1740702452 PNKDCNZZTWBERS-UHFFFAOYSA-N 497.024 2.937 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(C)=O)C1 1740753018 DUETZEMCFMAHNU-ZJOUEHCJSA-N 454.531 2.939 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1740773411 YZZLUSYOBXAGHA-IBGZPJMESA-N 465.602 2.563 30 10 JFEE C=C(C)COCCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1740799851 YLZFAAUKKFWGBC-HXUWFJFHSA-N 461.529 2.597 30 10 JFEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1740942815 KVUMXFYVJWPTNX-DOMZBBRYSA-N 460.373 2.984 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C#N)C1 1740951739 MHRVTLHUWODHTJ-AEFFLSMTSA-N 458.950 2.719 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC(C)(C)[C@H]2C)cc1 1740965028 CNGNOOZTHGDCTK-DLBZAZTESA-N 463.604 2.505 30 10 JFEE C=CCSCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1741005555 YTSQMNQWYPJKRR-NQIIRXRSSA-N 472.677 2.641 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748684387 ILOTZWRMAVDTSG-KRWDZBQOSA-N 474.594 2.973 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1748807642 AFUAZJWSUUVBPN-SFHVURJKSA-N 478.521 2.520 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1748808492 DGJGIRCVSOXFRM-YKSBVNFPSA-N 468.579 2.689 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1748814929 LUFVWBSLBDNDEO-RBBKRZOGSA-N 470.595 2.760 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)c(OC)c1 1748829150 WPQHXOMWPOKBPN-UHFFFAOYSA-N 476.606 2.985 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1748979856 PUQWVUCYFNHNSE-UHFFFAOYSA-N 476.547 2.983 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1 1749089987 HLFOUILQGLREGI-UHFFFAOYSA-N 451.325 2.530 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1749154402 RWWOUNGYQZDJTO-HSZRJFAPSA-N 454.600 2.945 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749241264 HPJMWLJJWGEBJD-MOPGFXCFSA-N 474.606 2.754 30 10 JFEE C=CCN(c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1749521296 KDTBRRZYHLSKCG-UHFFFAOYSA-N 461.657 2.711 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)nc1 1749573324 OFQAQIJEZWUCBA-UHFFFAOYSA-N 453.572 2.869 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(S(C)(=O)=O)CC2)C1 1749718617 GMTXNAFYMJYFES-MSOLQXFVSA-N 495.646 2.709 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1749731778 KCWHYYPSVPPAMP-JTHBVZDNSA-N 487.670 2.874 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)CCCS2)c1 1760128473 JBEQXYIALDEBRB-WZONZLPQSA-N 452.584 2.571 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760138232 UMEXASXHGZSXMM-MOPGFXCFSA-N 492.671 2.563 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760145193 JUZWHUSLSOPXPL-GOSISDBHSA-N 458.994 2.695 30 10 JFEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760180737 KJBICNRVMGZEBV-XXBNENTESA-N 464.632 2.527 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1760182249 DARXQROERQWUSM-LJQANCHMSA-N 469.567 2.705 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCCC1 1760203689 NCOYCSQNUHDBBX-HXUWFJFHSA-N 470.618 2.534 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760274267 LNKTVRJCZMRRNJ-SBUREZEXSA-N 458.584 2.713 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760353654 ADGGTQPVZCDXMR-HNNXBMFYSA-N 478.391 2.976 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCCC3)nc2)CC1 1760382042 HNDUYMJBVNFJOR-LJQANCHMSA-N 473.647 2.868 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCC[C@@H]1C 1760484118 NIGXMTLIZZCRIX-TWOQFEAHSA-N 453.634 2.694 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1760486476 PKZYVJZGTXGAMX-WOJBJXKFSA-N 458.632 2.840 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1760518245 NRFVKCKGEDFRJF-INIZCTEOSA-N 454.918 2.572 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760526238 IPNBMAMYFJTIIM-NRFANRHFSA-N 478.601 2.593 30 10 JFEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1760529344 CZMIQEFUJUVELW-UHFFFAOYSA-N 454.619 2.690 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760534256 UECXDNIQRQWSAQ-RPBOFIJWSA-N 469.586 2.634 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1760550707 GQHPLPHLIQUHLA-GJZGRUSLSA-N 451.574 2.784 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1760556657 LISGFFJFCRZMMG-FQEVSTJZSA-N 462.591 2.862 30 10 JFEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1760818065 GWCYJVUYKQCLLT-UHFFFAOYSA-N 452.481 2.574 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(OCC(F)(F)F)nc2)n1 1762439863 AXDSSSVINFDMQP-HXUWFJFHSA-N 478.454 2.966 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(Br)cc2)CCOC1 1767481601 CUBCHCOJBFCFHB-GHTZIAJQSA-N 476.375 2.664 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1767698858 AKAFQDDWXJFAKV-HXUWFJFHSA-N 452.559 2.650 30 10 JFEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1768970639 BOVBKDRSFWDNSW-FQEVSTJZSA-N 494.518 2.869 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)n2CC(=O)NCC(F)F)c1 1771530310 HKRMKQWMFQZDJQ-UHFFFAOYSA-N 499.566 2.863 30 10 JFEE CCOC(=O)N1CCC(NC(=O)c2nc(C(=O)Nc3ccccc3C#N)n3ccccc23)CC1 1858242859 JEBBAZXRJKRXPG-UHFFFAOYSA-N 460.494 2.809 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(-c1ccccc1)nn2C 1864321968 ZIYSNNFUXULYCX-NRFANRHFSA-N 487.560 2.599 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(CC)nn2-c1ccccn1 1864327801 YWMKTTQPGWXBBX-QFIPXVFZSA-N 488.592 2.767 30 10 JFEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1Cl 1865722968 DYCCPLCXPQOEAT-KRWDZBQOSA-N 474.989 2.909 30 10 JFEE C=CCN(CC=C)C(=O)[C@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(C)C 1869026176 LHOHKRUHMNMMOE-OAQYLSRUSA-N 453.580 2.566 30 10 JFEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CCc2ccncc2)cc1=O 1870387415 DFMGACAMNJLWGN-UHFFFAOYSA-N 496.633 2.763 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870400582 OUIJKQKNGYMZMN-UHFFFAOYSA-N 496.564 2.529 30 10 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C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc21 1891633777 RISVLLHIFMWRKY-UHFFFAOYSA-N 478.461 2.767 30 10 JFEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)C2)c1 1891931280 LMIFNZVIACMZJF-ICSRJNTNSA-N 472.542 2.563 30 10 JFEE COCC#CCS(=O)(=O)C(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019016907 LNGHWRVDTQXKTK-JOCHJYFZSA-N 485.558 2.822 30 10 JFEE C=CCC[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 2068507823 VSVUETPYPQBDHU-OWCLPIDISA-N 455.552 2.815 30 10 JFEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124535168 LMWFEQSMWUZCCE-DYVFJYSZSA-N 452.332 2.992 30 10 JFEE CCCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124538874 OKWHUEFSHKZKQU-OAHLLOKOSA-N 466.413 2.751 30 10 JFEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C2)CC1 2137178669 CSVUTDDTGQWFOF-IAGOWNOFSA-N 450.385 2.785 30 10 JFEE 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2.756 30 10 JFEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)n1)CC2 1084650377 SAQAMTJUFYVZRJ-UHFFFAOYSA-N 497.537 2.853 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)c1 1125418907 NSHXOLMKAGVLIM-UHFFFAOYSA-N 455.555 2.697 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1141353928 YZGJDOOJVDWKKB-QGZVFWFLSA-N 457.980 2.555 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286383954 FRAOYDNMRAGSIW-FZXPRRQPSA-N 490.695 2.994 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1286389945 TXZZWGZKGJLZQR-SFHVURJKSA-N 471.608 2.980 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286390946 FVLIFDGHURHVES-GOSISDBHSA-N 486.585 2.986 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1286391869 JLGMLZTUAFTALU-KRWDZBQOSA-N 476.027 2.848 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286398083 WDCYFHVQJHHIFG-QYXIYQDXSA-N 486.638 2.597 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1286445958 QWZITMSKZDSDSQ-CJAUYULYSA-N 470.618 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](SC)C(C)(C)C)CC1 1286488249 LUPLBPUXTAJEAM-DVECYGJZSA-N 477.675 2.674 30 10 JFEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N2CCOCC2)CC1 1286652402 DVLWSSZHFSDMNZ-UHFFFAOYSA-N 466.586 2.799 30 10 JFEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286694301 AOHHMJAOBRPFGO-DLBZAZTESA-N 451.568 2.994 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1286703790 RNHJUHMVQIFHBX-UHFFFAOYSA-N 458.513 2.607 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C)C(=O)C1 1286707602 HDBGIUORAFQOMW-UHFFFAOYSA-N 464.364 2.587 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286782927 CXWJHBYUQVTXGF-INIZCTEOSA-N 471.924 2.878 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286795349 INHIVTZFZVEQMS-HXUWFJFHSA-N 482.972 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1286818851 QELKAAXKQALGME-HXUWFJFHSA-N 456.572 2.630 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1287047356 AUYJVAMUNRECBX-VWLOTQADSA-N 481.601 2.928 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)F)c1 1299969974 CZJATEQCTHNACZ-UHFFFAOYSA-N 483.317 2.837 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1300482266 DZNLUKRMOVEVMG-HXUWFJFHSA-N 498.996 2.627 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1300485818 ZECSRTKSRJVYKI-ZFGGDYGUSA-N 499.681 2.687 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1300500964 GHGDJHQRBPOYBL-IBGZPJMESA-N 487.532 2.540 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1300703623 MWIWGKOCTPMBJZ-UHFFFAOYSA-N 482.535 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2cccs2)CC1 1300712327 PCFWHPJEZNRCAD-UHFFFAOYSA-N 491.621 2.931 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N(C)C)CC1 1300712362 PWLVSAZAOIXRJP-ROUUACIJSA-N 473.021 2.987 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCOCCS(C)(=O)=O 1300788293 WOQGJLIYMADYSL-VGOFRKELSA-N 464.563 2.611 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCn1ccnn1 1300788998 UCXAOFZYKBPMKL-HSZRJFAPSA-N 451.531 2.645 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300831932 BMEIXGBRHYGUOI-OAQYLSRUSA-N 484.358 2.540 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1300973336 YIHINEVXKCDRJJ-GOSISDBHSA-N 462.595 2.600 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300980192 MZFITDMOSMCOOU-UHFFFAOYSA-N 456.591 2.574 30 10 JFEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1301195430 ZKCHQIRDAKUCBP-GOSISDBHSA-N 455.559 2.828 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1COCCO1 1301334871 QOKWANAHROHAGG-NRFANRHFSA-N 455.559 2.521 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)COCCO1 1301341182 PCDIZFLWQITPID-DQEYMECFSA-N 467.570 2.800 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1301505856 BLJROYFJVHJXRQ-FQEVSTJZSA-N 491.571 2.869 30 10 JFEE C=CCNC(=O)Cn1c(N2CCOC3(CCCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301520969 VTXRZCKGDWORFN-KDURUIRLSA-N 488.633 2.891 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(C)cc2C1 1301578775 ILVWFJJBNGBREP-UHFFFAOYSA-N 455.584 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)Cc2ccccc2N2CCOCC2)nnc1C(C)(C)C 1301592874 FTEGGNXRJLYIJL-UHFFFAOYSA-N 461.632 2.649 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCc3sccc3C2)nnc1[C@]1(OCC)CCOC1 1301596279 KEYYYDLVWLGIQA-NRFANRHFSA-N 466.629 2.545 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](C)N(C)C1CC1 1303372927 CNWCWJCFBQOKAO-GOSISDBHSA-N 465.602 2.818 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 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C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCC[C@H](C)C1 1358997013 AYDBAIQHEFJTMY-VQTJNVASSA-N 452.628 2.853 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1359044792 OTPGXPHIKQOHDC-UHFFFAOYSA-N 458.607 2.816 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1359056534 GWQHLAWUUFHHEK-JOCHJYFZSA-N 460.692 2.881 30 10 JFEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(C)(OC)C1 1359077639 HKSNQSMKPKXYII-UHFFFAOYSA-N 469.409 2.680 30 10 JFEE C=C(Cl)Cn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@]1(OCC)CCOC1 1359157270 DYMULUZWTOWMAK-FQEVSTJZSA-N 453.012 2.770 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(=O)NCCC)CC1 1359175426 KYTKEEMLJPSFMJ-UHFFFAOYSA-N 474.631 2.514 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359292740 WRNMYFRMJAEDMH-QGZVFWFLSA-N 498.971 2.929 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2COC(C)(C)OC2)cc1 1359307284 GMYVJVHAXKAHMZ-HXUWFJFHSA-N 490.626 2.629 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C 1359328690 LOCGKROLFNJAOW-CYBMUJFWSA-N 472.398 2.520 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1359329700 RMKUGEFNNUMVME-GOSISDBHSA-N 465.023 2.659 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnn(C)c1C 1359334344 BSFDUJNOZNKSIX-UHFFFAOYSA-N 467.599 2.560 30 10 JFEE CN(C)S(=O)(=O)c1cccc(COC(=O)COc2ccc(C#N)c(Br)c2)c1 1435237210 FCRUYAOGSKXQBV-UHFFFAOYSA-N 453.314 2.693 30 10 JFEE CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)cc1 1462701977 CMWXGPIDXPZUQU-UHFFFAOYSA-N 451.545 2.516 30 10 JFEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cc21 1463627736 ABSAHDIIVOCAAQ-QFIPXVFZSA-N 458.971 2.820 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(Br)cnc2O)n1 1464713260 WBWKBRAOTBEJQT-UHFFFAOYSA-N 453.347 2.916 30 10 JFEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1471247050 SCWFCNQJGKNHIG-UHFFFAOYSA-N 454.549 2.612 30 10 JFEE 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2.753 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722370026 KKADVRACPGTMET-MOPGFXCFSA-N 462.641 2.931 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(CC)CC)nc1 1722375410 OFYJZOXIGGPSHA-UHFFFAOYSA-N 476.606 2.711 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1722403624 YGTJVRNEGJUOMB-USZFVNFHSA-N 490.652 2.676 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCCC1(C)C 1722405429 CGJRENQIQVKWEW-HSZRJFAPSA-N 459.616 2.596 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1722447764 OSRHKAZUBKWDJJ-FQEVSTJZSA-N 493.656 2.501 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cccc(C)c1 1722505357 BGGAZYLYARONDS-TYPHKJRUSA-N 475.615 2.669 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1722603954 QUFULZQVLZVLRW-FQEVSTJZSA-N 463.579 2.669 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1722657892 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CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)s1 58997560 ZSQVIFPJJUXXRF-OMCISZLKSA-N 481.545 2.559 30 10 JFEE O=C(CSc1n[nH]c(N/N=C/c2ccncc2)n1)Nc1ccc(I)cc1 59310974 QEYXGRKIGRKBJU-DJKKODMXSA-N 479.307 2.981 30 10 JFEE COc1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72461290 ATBFXQGZRMYNSG-FXAWDEMLSA-N 473.489 2.776 30 10 JFEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)c(C)c1 102509961 VMVDXCAUKYLRDR-UGUGFTGJSA-N 466.534 2.853 30 10 JFEE COc1cc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O 102622638 DNRNMWHFUZRAFX-UGUGFTGJSA-N 491.500 2.881 30 10 JFEE CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)[nH]2)cn1 253578949 YZHHAQHPDRNPAJ-NGYBGAFCSA-N 472.516 2.716 30 10 JFEE C[C@H](CCC(=O)O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O 257621018 XIMQDJNNBMWDIH-GIAXVWBTSA-N 476.610 2.897 30 10 JFEE endogenous,in-man C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2F)c(=O)n1-c1ccccc1C 489607030 SKBWCBSDJUPGOO-UHFFFAOYSA-N 498.377 2.914 30 10 JFEE CCOC(=O)c1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCOCC3)C2=O)cc1 526694941 QHBSPJBZXRJKLN-UHFFFAOYSA-N 492.557 2.956 30 10 JFEE COc1ccc(OC)c(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 585838549 KNDXNGFRDUUKAO-BWXLTGRJSA-N 484.465 2.511 30 10 JFEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1Cc1ccccc1 588153077 PAIAIQSVDLTNMD-KRWDZBQOSA-N 487.560 2.796 30 10 JFEE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccccc1C#CCO 705846734 ZVSGUKJIOKLLID-UHFFFAOYSA-N 476.598 2.780 30 10 JFEE N#Cc1ccc(COC(=O)c2cc(S(=O)(=O)NCCCN3CCCC3=O)ccc2Cl)cc1 794800124 XPBZTMDENWDXNT-UHFFFAOYSA-N 475.954 2.859 30 10 JFEE C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@@H](C)c1cccc2ccccc12 853665090 DGZGGZPFSCODKW-IRXDYDNUSA-N 465.531 2.799 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NCc1cccc(Cl)c1 1084558065 XXRCXQIFDMQJEE-UHFFFAOYSA-N 461.891 2.926 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1125552749 OZYOWRNKRNGERJ-OAQYLSRUSA-N 454.508 2.834 30 10 JFEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1126164615 GIHGRZVDKHSHGF-UHFFFAOYSA-N 450.479 2.689 30 10 JFEE COCC(=O)N1CCc2c(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)cccc21 1127843804 HAZOXLUEMZTCLO-HNNXBMFYSA-N 452.898 2.739 30 10 JFEE C=CCC1(O)CN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)C1 1154867428 SQCNYYYAYVYVAG-ZSOIEALJSA-N 453.383 2.800 30 10 JFEE CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)s2)CC1 1274947556 FINLDXKJXPPDTJ-UHFFFAOYSA-N 456.553 2.873 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386751 GZSWLJUTEONDRB-DFYVNMARSA-N 483.059 2.772 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286392070 KQLUOIYBIJJVDF-PMACEKPBSA-N 456.612 2.745 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ncc(CC)s1 1286410099 SCUCJNGTCDYFOI-LJQANCHMSA-N 484.626 2.921 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)[C@@H](C)CCC)CC1 1286474822 QOIPZPGPGMOLJX-SFHVURJKSA-N 473.021 2.915 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286484339 MHFGZPYXRUUROZ-LJQANCHMSA-N 492.546 2.505 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCS(C)(=O)=O)CC1 1286488189 VTILOVXBSQNLAQ-UHFFFAOYSA-N 498.436 2.652 30 10 JFEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286530052 FAOYPAYMCWFKRY-MRXNPFEDSA-N 493.793 2.581 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286546834 AMZOFAUCBQYZIA-FXAWDEMLSA-N 470.412 2.580 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(OCC(N)=O)CC1 1286564729 NZLLYWSPJFDNPY-YKSBVNFPSA-N 453.587 2.515 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286597517 PYWSMKFZKXMXNG-HNNXBMFYSA-N 453.465 2.947 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286622044 BOJUAZGALWKOFN-AWEZNQCLSA-N 491.923 2.606 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286668557 SQHBJGZNCFHONA-INIZCTEOSA-N 465.396 2.979 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(Cc2cscn2)CC1 1286779908 OIDNUTRMQSKPAA-UHFFFAOYSA-N 489.552 2.627 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(c3cccc(OC)c3)CC2)nnc1[C@]1(OCC)CCOC1 1286793433 XWIHNQKYOJFAKR-VWLOTQADSA-N 469.586 2.625 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1286824150 VKJIEGOMJQPGMQ-UHFFFAOYSA-N 481.557 2.837 30 10 JFEE CC1(C)COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1289043795 GDSKZYAGONSVBQ-UHFFFAOYSA-N 486.642 2.589 30 10 JFEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1(C)C 1291154614 CBBQWSBKVFWGNQ-QGZVFWFLSA-N 457.600 2.629 30 10 JFEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1291782555 FISDHDRBBFOFIY-OAQYLSRUSA-N 494.644 2.797 30 10 JFEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)N1CCCC1 1292160759 CMOGCYRJRANJCZ-YADHBBJMSA-N 465.602 2.740 30 10 JFEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)o1 1292692643 CUOZQKPLFOHNSW-DLBZAZTESA-N 486.598 2.894 30 10 JFEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccccn2)nnc1N(CCC#N)CC1CC1 1298096588 FGKHCSPTHGEVEM-UHFFFAOYSA-N 465.583 2.769 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1300267971 MHODSSMDDNTVBP-UYAOXDASSA-N 460.538 2.908 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC=CO2)c1 1300331850 SCYSOTYDUNGVJM-FQEVSTJZSA-N 471.521 2.674 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1300411486 KELRJDWCGVZNGD-VQTJNVASSA-N 489.617 2.774 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)N1CCN(CC)CC1 1300439419 DDIMTMXEXXAAKK-QGZVFWFLSA-N 475.435 2.812 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2Cc2ccc(C)n(C)c2=O)n1 1300681027 KASBGQFDVDCZPG-UHFFFAOYSA-N 489.555 2.622 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2csc([C@@H](C)OC)n2)CC1 1300709832 IBBCLEFXGIKDDG-GOSISDBHSA-N 482.610 2.833 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nc(C)cs2)CC1 1300716341 LBGCNDGMZCGXDN-UHFFFAOYSA-N 450.568 2.733 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300852942 GIHYWRVHQBQUOC-OAHLLOKOSA-N 474.450 2.946 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1300864175 ZSSZSZLLSCWXHO-PXNSSMCTSA-N 480.411 2.889 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1300935221 NNVLCGLSDAUCCH-LJQANCHMSA-N 468.583 2.824 30 10 JFEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301259863 QDKMGVJDRFTGRP-GOSISDBHSA-N 464.599 2.900 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 1301519133 RDDLCYZSNNMCHB-LJQANCHMSA-N 463.586 2.985 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)(C)C)nc2)C1 1301567124 UMBVOXWEIJELNK-IBGZPJMESA-N 454.575 2.802 30 10 JFEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1302495294 FZRWDYWZTKEVNK-UHFFFAOYSA-N 496.437 2.687 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCOC2=O)C1 1302978290 BHEJBGNNKHWBCL-HXUWFJFHSA-N 450.421 2.831 30 10 JFEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)NC(C)(C)C)c2ccccc2c1=O 1313958408 BSVRDRCQWPDNGP-MRXNPFEDSA-N 464.574 2.718 30 10 JFEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1358924824 JYXRNKSRVWYCFG-QHCPKHFHSA-N 458.584 2.781 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1358959489 JUHADLVUOUWSFW-SFHVURJKSA-N 460.600 2.643 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358962883 YPUZJBDROUHLRA-TZIWHRDSSA-N 458.584 2.512 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358966153 IXLDCQVBXUJZAL-SFHVURJKSA-N 482.528 2.847 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1359025854 ATJDKQVEULXJSR-SQJMNOBHSA-N 454.571 2.692 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCC[C@H](C)C2)CC1 1359033072 ODXXGBADEHYLIV-NRFANRHFSA-N 466.630 2.840 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cc(Br)ccc2OC)CC1 1359033748 OKSHRIKTRLRCDW-UHFFFAOYSA-N 467.371 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](OC)C(C)C)CC1 1359046548 WGLLNBIZUZIALS-HSZRJFAPSA-N 462.598 2.987 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1359121727 GAUUZUVYCDCJGV-RTBURBONSA-N 451.637 2.669 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359208681 RDPRCVCHAPDFPP-VQTJNVASSA-N 452.669 2.803 30 10 JFEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1359237866 PKIMTLYNVMPMQU-QGZVFWFLSA-N 470.599 2.683 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359292980 CJVQKQSOWRCPNQ-QFIPXVFZSA-N 474.613 2.856 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cc(C)no2)CC1 1359297306 MGHGMJQBYIPOMB-UHFFFAOYSA-N 455.950 2.519 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3ccccc32)C1 1359313611 OQWSCDHHVPDLIP-YZGWKJHDSA-N 459.616 2.790 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)COCCO2)C1 1359314707 GPVAXJGLXGDGET-KXBFYZLASA-N 452.353 2.623 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(Cl)c2)C1 1359321407 FXOZMAAKOOLMRK-VQIMIIECSA-N 466.991 2.694 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(Cl)ccc2C1 1359331522 BLACGUKDMBVPLF-GOSISDBHSA-N 450.992 2.989 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OCC)C1 1359336208 IDQZXLAIWWXJPF-OALUTQOASA-N 497.662 2.956 30 10 JFEE C[C@@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)c1nccs1 1360519047 HJSRHELBNLURFJ-FUHWJXTLSA-N 485.639 2.795 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(Cc4ncc(C(=O)OC)s4)CC3)cc2C1=O 1438933035 CMSTYTWFTBZSDQ-UHFFFAOYSA-N 453.520 2.807 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 1465827774 XYAJCVVMKYXLKC-UHFFFAOYSA-N 457.552 2.918 30 10 JFEE N#Cc1cccc(-c2cnc(CNC(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]2)c1 1465940682 FKQSPYLDKVDOGS-UHFFFAOYSA-N 455.927 2.926 30 10 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30 10 JFEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539600953 VISGMDQARJPMMD-OAQYLSRUSA-N 491.365 2.731 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1540861678 BMKANSPRXILOSL-FQEVSTJZSA-N 494.644 2.709 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1540873396 WRFBZYOWUTUUKE-UNMCSNQZSA-N 451.619 2.657 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1540873604 DFXRPTOBDMAFAV-DFIYOIEZSA-N 453.587 2.528 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2nc(C)cs2)CC1 1540875387 KGJOZIWPBRQEDA-UHFFFAOYSA-N 499.666 2.973 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876175 JFFPFTYWPAGIQT-NVQXNPDNSA-N 488.677 2.713 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1540907495 YOCVMPNITYYPQC-UHFFFAOYSA-N 461.607 2.683 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](C1CCCCC1)N(C)C 1541910875 FMRKMIKSOSEPMS-AVRDEDQJSA-N 487.674 2.907 30 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459.554 2.935 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)(=O)CC1)C(C)C 1705867158 IWYATPPVFMQAEL-HXUWFJFHSA-N 487.626 2.607 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 1705903710 RHEIHULEFZBUEP-HXUWFJFHSA-N 452.342 2.550 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C(=O)OC)C1 1705931262 KOASPCXKOXICGN-KRWDZBQOSA-N 478.640 2.876 30 10 JFEE C[C@H]1CN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 1708248435 AIIMNXGUAKOIDL-YDIMBITNSA-N 485.658 2.899 30 10 JFEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)C1CCCCC1 1710999809 DZAPDSUXQRXYJJ-JOCHJYFZSA-N 470.643 2.808 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2ccoc2)c1 1722307584 PUDVVHLRTPVAAU-UHFFFAOYSA-N 474.546 2.967 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNC(=O)c1cc[nH]n1 1722372705 CUCKMVBHYAAMGY-GOSISDBHSA-N 479.972 2.914 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722401532 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JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1301358042 VWZSOHSWWXIASP-INIZCTEOSA-N 471.612 2.838 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1301468636 HNFBTWYHSSYKPE-UHFFFAOYSA-N 464.595 2.655 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1301477773 FFGLOSYAURWSKU-HNNXBMFYSA-N 462.957 2.849 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1301556965 KYNADJOWRMKCRP-MSOLQXFVSA-N 463.579 2.595 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](OCC(C)C)C1 1301577469 OSCPCRONIRNKSI-QGZVFWFLSA-N 453.996 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301585075 HDWJIOJJJZRIBT-SFHVURJKSA-N 450.527 2.676 30 10 JFEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C[C@@H](C)O1 1302901055 DQKDQDHKRPUIRL-KDURUIRLSA-N 477.617 2.757 30 10 JFEE Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)c1 1304331723 GDFDIROVFAXXOV-HXUWFJFHSA-N 487.612 2.653 30 10 JFEE C[C@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1305057325 ASGAGELGDUQNGC-KSFYIVLOSA-N 459.957 2.788 30 10 JFEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCC(=O)NC2CC2)c1 1316335181 HMKCDVCTRMWZRK-UHFFFAOYSA-N 470.599 2.537 30 10 JFEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)CC2=O)cc1 1321640306 NHIDINXHSZNWHC-XLIONFOSSA-N 453.520 2.503 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 1354103800 FZSVOIPNPLDMOH-JOCHJYFZSA-N 454.552 2.660 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnnn1CC1CC1 1358880473 MXXIYKXZGRGVAX-LBPRGKRZSA-N 459.327 2.749 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C)CN2CCCC2)c1 1358902396 MYRCCWMDPIPAEW-IBGZPJMESA-N 458.570 2.523 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1358903796 KDMQRRISWZLOGP-UHFFFAOYSA-N 492.624 2.608 30 10 JFEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1358907310 KXHFIIXEMGAGSW-UHFFFAOYSA-N 480.432 2.901 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358962689 UUZMOWGQOVNOEK-LPHOPBHVSA-N 498.527 2.935 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358964798 HOKMBIOEVZCGSW-NRFANRHFSA-N 456.612 2.621 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1CCN(CC)CC1 1358983633 QGIZMLAIPNSUPA-DHIUTWEWSA-N 454.663 2.687 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCNC(=O)C(C)C)CC1 1359031735 NTCTWVUDKXTCHM-SFHVURJKSA-N 454.644 2.659 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCNC(=O)C(C)C)CC1 1359039527 MJLWHOQAIRRGLV-UHFFFAOYSA-N 461.035 2.751 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccnc2OCC(F)F)CC1 1359044303 BTJAVOGHBYOLSE-UHFFFAOYSA-N 458.513 2.599 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC)c2)CC1 1359044312 BVCGRGPCMFLMAJ-NRFANRHFSA-N 451.571 2.585 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC 1359103815 TXANPDKABMRYAB-LSWJPFSZSA-N 453.587 2.768 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359127379 PBRKUCQICHRJCT-UHFFFAOYSA-N 491.434 2.511 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359131885 IBZDIVWKQNMXLY-KRWDZBQOSA-N 472.590 2.730 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1 1359227941 PYXBEMBHPBZWCU-LEWJYISDSA-N 490.649 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359330906 GTJAJGJPJQYHGB-GOSISDBHSA-N 458.632 2.560 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CCc1ccc(Br)cc1 1359332570 BAIZIULBLLKRJH-KRWDZBQOSA-N 483.432 2.824 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C2CCOCC2)C1 1359333924 OJPSELLURWCHMO-IBGZPJMESA-N 450.630 2.784 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1359386226 WTYGKBSYDXMDQP-UHFFFAOYSA-N 470.459 2.537 30 10 JFEE C#CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 1360337357 KULOWAMHTULOFB-UHFFFAOYSA-N 455.580 2.869 30 10 JFEE C=CCCn1cc(CN[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)nn1 1461483482 CXBKPUCSMZRSGW-MRXNPFEDSA-N 454.394 2.560 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)s1 1469753282 YRUZUPCCUWNONW-CABCVRRESA-N 457.618 2.659 30 10 JFEE CCN(C)C(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1501437521 IFYMYWOECFLANM-SFHVURJKSA-N 459.595 2.958 30 10 JFEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)CC1 1503862393 GMLHHIUNOHUPEM-UHFFFAOYSA-N 450.465 2.700 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1507532440 HXXHGQSUWCJHCU-INIZCTEOSA-N 459.558 2.528 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](c1ccco1)N(C)C 1507542966 SZTBDZOPXKTREV-VWNXMTODSA-N 475.641 2.997 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCC[C@H]2C)c1 1507549915 BPAAHTAQKHBDCM-CTNGQTDRSA-N 450.587 2.713 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC[C@@H](C)C2)c1 1507552112 KIEHLCILGPLFDK-KJWPAHLWSA-N 494.640 2.790 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507629786 PZNOTQIEBFDRCM-RBUKOAKNSA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1507641168 ZGTLNJAURIFANA-FQEVSTJZSA-N 474.602 2.981 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1507654399 DTLOMJFBHOUKRN-UHFFFAOYSA-N 462.517 2.739 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2sccc2Br)CC1 1507719445 NSLXPFWBZXNLOX-FQEVSTJZSA-N 480.432 2.558 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@@H](OCC)C(C)C)CC1 1507722987 QFSGNIORKQSEOO-OAQYLSRUSA-N 453.587 2.923 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCC2(F)F)CC1 1507734494 XZLRQEJVASKAMM-GOSISDBHSA-N 485.539 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOC(F)F)CC1 1507738816 ZLOPTDKNSVGBJO-UHFFFAOYSA-N 483.523 2.726 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCCOC1 1507751703 QXVQVUPSAQNVKL-IBGZPJMESA-N 455.632 2.681 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507759037 XZJNNUUOHAZZQI-NHCUHLMSSA-N 489.686 2.638 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C(N)=O)CCCC2)CC1 1507896391 DTFGYNQPDFCJKV-UHFFFAOYSA-N 486.642 2.644 30 10 JFEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507945681 JRXYOMNEUXZNNI-HNNXBMFYSA-N 472.571 2.817 30 10 JFEE C=CCCCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@@]1(OCC)CCOC1 1507953311 IKSWTIALPZLGSW-OAQYLSRUSA-N 461.592 2.603 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCC2)CC1 1507960214 WRGYFAVRCHVXKN-UHFFFAOYSA-N 459.616 2.616 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507962397 ROKNRUUCKYNBQZ-QGZVFWFLSA-N 481.557 2.902 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCc2sccc2C1 1508072196 IBTNFZYIUCHNOJ-UHFFFAOYSA-N 471.608 2.665 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1508073332 JWCZYNDTAIVLNB-HNNXBMFYSA-N 489.001 2.897 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)C1 1508126683 IMJXTELYBGMYTF-UAKAABGRSA-N 477.606 2.671 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSC(F)(F)F)C1 1521062421 CTMZPPUVQOJGOD-INIZCTEOSA-N 453.429 2.616 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2nc(C)c(C)s2)c1 1539040335 RCVGUPFJDRWMMI-UHFFFAOYSA-N 458.551 2.913 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1cccc(F)c1)N(C)C 1539167768 LQHGMJZDWSXRNB-HXUWFJFHSA-N 469.590 2.750 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1539211822 PMRCAKULQFSDEP-FCHUYYIVSA-N 464.595 2.802 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1539300614 VZUBQKSMUOOSIU-HHHXNRCGSA-N 477.609 2.586 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)CC1 1539428760 WKWOSWNPHRDXDI-HXUWFJFHSA-N 473.046 2.902 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccn2)CC1 1539469786 VHICJNTVYUHVAS-MHZLTWQESA-N 494.640 2.657 30 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JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)C)C1 1740653048 XPVWXTOIISSBNE-NRFANRHFSA-N 471.609 2.775 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(S(C)(=O)=O)cc1 1740681999 ZQDYSIFCBJULRU-UHFFFAOYSA-N 459.959 2.531 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2CN(CC)CC)CC1 1740695692 BDKICMDUIWPUET-DEOSSOPVSA-N 450.631 2.817 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1740701515 JYNCPTBYCYMXDV-UWJYYQICSA-N 489.979 2.755 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1740963394 JQDHSOXVISUACC-RBBKRZOGSA-N 468.650 2.533 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1740985904 NGRPFDIKHRIXBK-UHFFFAOYSA-N 460.604 2.561 30 10 JFEE CC(C)(O)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cc1 1741252319 AYTOWNWINFNYSN-IBGZPJMESA-N 457.600 2.586 30 10 JFEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCC1 1744312648 FADZXNGMBHGUER-UHFFFAOYSA-N 472.615 2.781 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748653792 CKIOSNCSUAKSCO-CVEARBPZSA-N 480.432 2.755 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1748766366 OBQDKRWIIIXILG-AUSIDOKSSA-N 457.962 2.659 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCN(C)S(=O)(=O)CC 1748775335 JDWWMOWMUCLHPC-UHFFFAOYSA-N 460.423 2.510 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748808914 OIYAOURDWRHXSJ-WMZOPIPTSA-N 480.009 2.706 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1748825432 YUFSUJJPNMERMS-GOSISDBHSA-N 486.619 2.992 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCOC 1748892694 VDBBKHMWIPFKHP-HXUWFJFHSA-N 459.591 2.866 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@@H]2NC(=O)CC2(C)C)n1 1748970940 XTJLBXQKMPVMSR-QFIPXVFZSA-N 475.597 2.651 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc([C@H](C)O)cc2)CC1 1749009543 JZRULWRXWAZPRR-PGRDOPGGSA-N 451.571 2.587 30 10 JFEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749092448 WTJMVNZOJKIRIX-CRAIPNDOSA-N 472.343 2.762 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1749120405 DEBATHFWVVOXQI-LMNJBCLMSA-N 472.615 2.915 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 1749195558 SUWIQYSEAAJCCN-LJQANCHMSA-N 462.595 2.515 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)cc(C)c2)CC1 1749302988 CMPFYIUNAGCLDV-OAQYLSRUSA-N 459.616 2.627 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749406284 GJDFXFILKGRJDJ-RTBURBONSA-N 458.632 2.783 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749640355 RIVZEQLSQXPRNN-UHFFFAOYSA-N 456.616 2.931 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 1749739506 DPMYGLFRBJRYKG-IBGZPJMESA-N 466.579 2.848 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCC2)C1 1749740574 WIFAXHFBYXVTFF-UHFFFAOYSA-N 460.600 2.834 30 10 JFEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1750986326 FRBMMQRYCAJVNN-NRFANRHFSA-N 493.637 2.913 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCCn2ccnc2C)c1 1760128245 CMENHRMJSWQZPE-OAQYLSRUSA-N 461.570 2.824 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1760189873 QRHULKSRHVMNLE-MRXNPFEDSA-N 477.537 2.693 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(NC(=O)N(C)C)cc1 1760209003 RHQZAKSLJNNMAX-UHFFFAOYSA-N 463.586 2.801 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(c3ccc(F)cc3)CCOCC2)CC1 1760256156 DZEASLHWQSUMJT-OAQYLSRUSA-N 485.604 2.645 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC)cc2OC)CC1 1760269379 GQUHTJBNRJFZJN-UHFFFAOYSA-N 451.571 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(CN(C)C)c2)CC1 1760271647 FIIOUULAGCJENN-UHFFFAOYSA-N 491.665 2.710 30 10 JFEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760301628 GAOQDVWANUXKDH-CQSZACIVSA-N 485.180 2.567 30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760357628 HJEMSUHEUHVQCE-UHFFFAOYSA-N 462.554 2.525 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760367198 FGNBKRKVCCWILR-UHFFFAOYSA-N 467.799 2.670 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760396519 FLTUMUSIPRYLRK-UGKGYDQZSA-N 452.621 2.688 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1760524735 HMOHNISKIQIKJG-UHFFFAOYSA-N 464.614 2.708 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1760525091 TVZDJUKAAVBIEB-UHFFFAOYSA-N 479.654 2.821 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1760526246 IRSNJQXXSDYPMS-DOTOQJQBSA-N 478.391 2.926 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760528353 ACYLBEVKBYPCEE-FQEVSTJZSA-N 459.513 2.790 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760534133 YZJYDFMAKQOJTO-HXUWFJFHSA-N 489.642 2.645 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOCC2(C)C)C1 1760538126 BTAIGRLMAJJLNW-FQEVSTJZSA-N 471.602 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSC(C)(C)C1 1760550921 NWJCBUZUGOKZHY-UHFFFAOYSA-N 496.655 2.904 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1760556874 SLUBPILRAYGLPN-NRFANRHFSA-N 451.596 2.934 30 10 JFEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](c1cccs1)N(C)C 1763111992 BUQXXMKZJBVCCM-AEFFLSMTSA-N 451.604 2.582 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1770666750 AVXMHKSSUAYPFB-TUNNFDKTSA-N 455.559 2.643 30 10 JFEE CN(c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cn1)S(=O)(=O)c1ccccc1C#N 1858270052 FZTWKXMUROYLDR-UHFFFAOYSA-N 460.512 2.859 30 10 JFEE COc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccccc3C#N)cc2)cc1 1858667751 UKRSQOJMHFHSDE-UHFFFAOYSA-N 478.530 2.936 30 10 JFEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862495940 YANMOGVJWLHDSZ-FQEVSTJZSA-N 453.451 2.632 30 10 JFEE 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N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1873684890 RAUJPPXHFCZYTO-UHFFFAOYSA-N 480.387 2.945 30 10 JFEE N#Cc1ccnc(OCC2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1 1891898807 VSQVAIGMZFXHBP-UHFFFAOYSA-N 486.569 2.811 30 10 JFEE C#CCN(C(=O)c1cc(I)cc(I)c1O)C1CSC1 1915211734 YCTWHXZWNPJHEQ-UHFFFAOYSA-N 499.111 2.792 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)[C@@H](C#N)C1 1962836755 DJCGXJSNFXYCEZ-LBPRGKRZSA-N 486.266 2.784 30 10 JFEE COc1cc([C@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 2040503247 RHIHSOMYUNDOCI-QHCPKHFHSA-N 498.532 2.616 30 10 JFEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180965388 FPZDESXYYZNTOK-LJQANCHMSA-N 462.396 2.574 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185167451 JOJJTJYYGYTCKT-RTBURBONSA-N 460.380 2.532 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@@]2(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2228739952 FBHLOOVUHNCZDS-UZUQRXQVSA-N 450.385 2.953 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CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1728349578 BTVWGROLWXRRAT-UHFFFAOYSA-N 479.629 2.766 30 10 JFEE CO[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)CCOC1 1729948659 GALDWQXXFNJUIJ-VWLOTQADSA-N 452.603 2.866 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCCn3cc(C)nc32)c1 1740564962 DUHINRQNFARUGP-FQEVSTJZSA-N 461.570 2.953 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1740570744 HIUQTLJEZCTCNQ-HXUWFJFHSA-N 475.597 2.831 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1740628446 QKDXQZXVQDFPBG-YCRNBWNJSA-N 488.585 2.604 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1ccnc1C 1740646701 IPLDGDOTZJJDGK-UHFFFAOYSA-N 478.626 2.605 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)Cc1ccccc1 1740670889 WKELYAXGCIYDJS-UHFFFAOYSA-N 493.637 2.527 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N(C)C 1740676690 KIWSQUSPKNWKAL-UXHICEINSA-N 450.518 2.904 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(=O)NC 1740678839 JUMMSGMBSLKDPW-UHFFFAOYSA-N 451.550 2.691 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nc(C(C)(C)C)cs2)CC1 1740700621 DVIGIFWXNQTIFK-PXNSSMCTSA-N 458.632 2.560 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740713863 SLEFNIKDFZIXET-NRFANRHFSA-N 490.427 2.799 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740716985 GJHRKDFMPLNACI-QZTJIDSGSA-N 493.674 2.983 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740719809 LUATZFMRKBSVBL-LJQANCHMSA-N 460.003 2.998 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F 1740759369 BSLVYJIEQQOWFQ-ZVDOUQERSA-N 462.591 2.979 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740782683 XSCZANLNCXCFDU-MRXNPFEDSA-N 453.609 2.640 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740846890 PEOVPNHQLIMKSH-UHFFFAOYSA-N 479.629 2.883 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740880369 YRXRIQPROHRLIZ-UHFFFAOYSA-N 483.598 2.931 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740887232 AKRBUKGUGBEIHE-HNNXBMFYSA-N 481.395 2.916 30 10 JFEE C=CCNC(=O)Cn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965167 MAYUOAPKWDMPDC-LUKYLMHMSA-N 464.636 2.681 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)c1ccccc1F 1743745425 ADOJIJAMLWTFIJ-GOSISDBHSA-N 476.560 2.954 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1744096231 BEDSDRSSQZGVCB-FQEVSTJZSA-N 485.658 2.899 30 10 JFEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)C1 1745124258 HAACWPVPWXAGPR-HXUWFJFHSA-N 475.553 2.725 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1748665106 NSCOSUGOIFQRNW-INIZCTEOSA-N 477.569 2.517 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCCC2)CCOCC1 1748830970 BWXJTPZSEGXKBI-UHFFFAOYSA-N 463.582 2.680 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(C(N)=O)c1 1748962699 OXBKWCZLRGRCIN-NRFANRHFSA-N 496.612 2.626 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](COC)C1 1749091708 DSJKGDBPVNRCJY-OAHLLOKOSA-N 453.337 2.723 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749105351 DQHGWTMBVNPPQV-CQSZACIVSA-N 457.394 2.655 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1749158321 GYSFJCFOBPQOAL-GCJKJVERSA-N 495.671 2.563 30 10 JFEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749578575 CKNOUXHAPQZCRR-NHCUHLMSSA-N 456.616 2.647 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCN(C(C)C)CC2)C1 1749714790 MQNBVJLBOQLLRS-JOCHJYFZSA-N 469.630 2.894 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)CN(C)C 1760121053 RMCRLFMLYJXIIK-JOCHJYFZSA-N 451.663 2.689 30 10 JFEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760146798 WYBBAHSZUJJIKZ-PKTZIBPZSA-N 485.654 2.864 30 10 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CCC1(NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)CN(C(=O)OC(C)(C)C)C1 2364967035 OSQKHBMIYWOZNM-UHFFFAOYSA-N 464.343 2.960 30 10 JFEE O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12729528 ZMPPOISQMNBOCP-RWEWTDSWSA-N 462.531 2.592 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3sc(C(=O)OCC)c(C)c3c2=O)nc1C 19649289 IQJGQVPFBBJTLP-UHFFFAOYSA-N 476.536 2.690 30 10 JFEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccc(C)cc1 20837912 IWDCBZPWUCJVTL-ZVHZXABRSA-N 473.584 2.718 30 10 JFEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3C(=O)OC)n[nH]2)cc1 20905931 FJGXUCFPHAHBJO-SSDVNMTOSA-N 468.495 2.555 30 10 JFEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1)Nc1cccc(N2CCCC2=O)c1 21075604 NVHCLNVSHRDYFY-SSDVNMTOSA-N 496.509 2.722 30 10 JFEE Cc1ccc(Nc2nc(N/N=C/c3cc([N+](=O)[O-])ccc3O)nc(N3CCOCC3)n2)cc1 21966576 KPMLJZJDYTVWCF-LPYMAVHISA-N 450.459 2.820 30 10 JFEE COc1ccc(/C(C)=N\Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1 59039383 BTSRACRUKDRGQI-CFRMEGHHSA-N 454.512 2.787 30 10 JFEE CCC(C)(C)NC(=O)C(/C=C1/C(=O)ONN1c1ccc(OC)cc1)=NC(=O)c1ccccc1 585673521 GGFCOGYNSFAVOT-UKOUMKBMSA-N 450.495 2.948 30 10 JFEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)c3ccc4c(c3)NC(=O)CO4)c2C#N)C1 586344979 CEWUQPXUKROHPW-CGRYZCQKSA-N 471.560 2.646 30 10 JFEE C#CCN(C(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 729330817 FTUJVZMQIFRRQR-KBPBESRZSA-N 495.450 2.723 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc3cnn4ccccc34)c2=O)c1 729672383 LCMGGWFQVWLESP-KRWDZBQOSA-N 452.539 2.646 30 10 JFEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729672893 NCMKRSGTTPQKRQ-UHFFFAOYSA-N 477.549 2.581 30 10 JFEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O 757396921 FKJRDZXFLXZTDF-ZGNKEGEESA-N 477.517 2.634 30 10 JFEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)ON=CC(=O)Nc1ccccc1Cl 852320805 GABWXPHFWMDFCE-ZDUSSCGKSA-N 482.946 2.567 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)Cn2c(O)nc3ccccc3c2=O)c(C(=O)OCC)c1C 915148399 AWXNEZPBKVMFEO-UHFFFAOYSA-N 471.491 2.630 30 10 JFEE COc1ccc(C=NNc2nc(SCC(=O)N3CCCC[C@@H]3C)n[nH]2)cc1OCn1cccn1 1084201990 XTFBLMCDHFPYHQ-INIZCTEOSA-N 484.586 2.985 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)ccc1F 1179722088 VJOPFMAYEZKJDI-SJORKVTESA-N 467.563 2.619 30 10 JFEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Br)cc1 1220948400 ZSEWIEFDPIQMJU-GOSISDBHSA-N 450.358 2.873 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)c1ccc(C)s1 1286272793 DJLZVMMZNJNONG-GFCCVEGCSA-N 497.444 2.842 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286300808 XUGIEBWHOAWBEM-HTAPYJJXSA-N 450.612 2.707 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1OCCN(C)C 1286376247 IGBBIVXPUABEEC-OAQYLSRUSA-N 498.628 2.645 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286396967 ZFUMVQFVMVSXLN-BXKMTCNYSA-N 492.592 2.715 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1286434433 KKGXGIUDGAVGMW-NRFANRHFSA-N 484.645 2.924 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2snnc2C)CC1 1286485804 YNECDLXKECKJBE-UHFFFAOYSA-N 455.613 2.542 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)CC1 1286486944 JFOZXASXRUYIGA-UHFFFAOYSA-N 489.967 2.910 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1286496034 LLPVSTQFSYLJBG-CVEARBPZSA-N 482.701 2.658 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286670173 BJWBORBZXVNGQY-PMACEKPBSA-N 481.663 2.753 30 10 JFEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286683746 ZACFHJAFIIGUOG-MJGOQNOKSA-N 456.978 2.933 30 10 JFEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(Cl)ccc2s1 1286726398 DWPARKMLHDECRP-OAHLLOKOSA-N 483.019 2.545 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1286782930 HXMJSELHRVMVBB-UHFFFAOYSA-N 466.517 2.817 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)C(=O)OC(C)(C)C)C1 1286813994 HHFQQLSFEIHITF-OTWHNJEPSA-N 465.595 2.650 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1286824252 XTXSKWANZAENFG-IAGOWNOFSA-N 461.613 2.660 30 10 JFEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)C(C)=O)CC1 1286833606 IVOREIJFPRRDRY-UHFFFAOYSA-N 453.616 2.883 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 1297175024 BRZJUJQDCOPVPO-CQSZACIVSA-N 459.362 2.524 30 10 JFEE CN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C(=O)OC(C)(C)C 1298678778 DRXKVNDUFUVVBE-VWLOTQADSA-N 497.600 2.687 30 10 JFEE C#CCN(CC(=O)N1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1300316354 PGPPKYRMPJKWEG-UHFFFAOYSA-N 453.580 2.731 30 10 JFEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1300417018 OTITXTMMXMPJDT-UHFFFAOYSA-N 467.021 2.949 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)CC(=O)N1CCOCC1 1300422177 YPNYQDMNUTZHOC-UHFFFAOYSA-N 453.587 2.997 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1300489145 JKGNOUCNEWPJOL-OAQYLSRUSA-N 495.605 2.595 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1300489729 RHULDSFNJZXWIC-MRXNPFEDSA-N 493.948 2.547 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300502244 RMKHAUGZUDYTAM-GOSISDBHSA-N 463.401 2.599 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnccc1OC 1300555053 RLQRRNCZUQQEBY-UHFFFAOYSA-N 462.941 2.776 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1300701109 GXIHRPUYQIMNPJ-QFIPXVFZSA-N 458.006 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@](C)(O)C(C)C)CC1 1300731780 UZSPVNXDIYNCNQ-SANMLTNESA-N 467.614 2.792 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300875921 OSXJRHKUPHDBHA-ILBGXUMGSA-N 491.640 2.788 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(Oc2ncccc2F)CC1 1301492647 MCAZGBVYHVHCSL-UHFFFAOYSA-N 496.543 2.846 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC(CCC(N)=O)CC2)nnc1C1(c2ccccc2)CCC1 1301519053 LZUHIULBZUFXFE-UHFFFAOYSA-N 450.587 2.532 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301588988 NDLWRVPQCXPXOL-RTBURBONSA-N 479.672 2.718 30 10 JFEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1302274729 FFJIQVIJMBMWMO-VQTJNVASSA-N 468.558 2.756 30 10 JFEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1303307607 DXMQHHWXCUCZRU-HSZRJFAPSA-N 451.619 2.584 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1303761438 GFHPJMYSOFNKJV-HTAPYJJXSA-N 462.957 2.921 30 10 JFEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCOC1 1314110843 AYABWRACIQAUSN-YADHBBJMSA-N 466.558 2.675 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](c1cccc(F)c1)N(C)C 1314393190 AMFQFAMBLFAWCP-GCJKJVERSA-N 493.591 2.633 30 10 JFEE C=CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352764534 UJCQALFDIHVHLQ-HNNXBMFYSA-N 450.542 2.909 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1358905975 QWIFCYBIVQPMQS-UHFFFAOYSA-N 483.436 2.605 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1ccsc1 1358940352 VRKAJAHSINKGKP-OAQYLSRUSA-N 458.613 2.585 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1358986411 WCRAHGBFFYDEDF-RWUVGJFLSA-N 476.512 2.547 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1359059795 AKWHMKIXBHFWNU-UHFFFAOYSA-N 483.667 2.966 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359060927 LRUCUJNMSQBWFB-UHFFFAOYSA-N 489.605 2.825 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359141801 RUVUVFAXQQHQKF-HUUCEWRRSA-N 452.298 2.728 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]1C 1359275352 ROXGVPDCCSRTHW-NRSPTQNISA-N 459.616 2.502 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1359281989 OMSONGCZOCBSHI-HXUWFJFHSA-N 493.649 2.963 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](COCC)C1 1359295183 SQLAYZUNYIYDKU-CYBMUJFWSA-N 454.394 2.934 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](N3CCCC3)C2)cc1 1359306932 VJLOHTFTUVGKRW-TZIWHRDSSA-N 488.658 2.566 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@H]2CCCCO2)C1 1359314977 LUTGHWXVWNXLMF-NHCUHLMSSA-N 489.642 2.936 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(CC)C1 1359331105 NMQOPUHYMZZBBP-HSZRJFAPSA-N 470.599 2.737 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1359332443 XUHZLRLOLGXIFU-ZWKOTPCHSA-N 478.619 2.663 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1359336960 GUAGFBDJFSNMJT-CRAIPNDOSA-N 469.608 2.525 30 10 JFEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)c1 1360620441 AGXHYKUBQFWKTM-MRXNPFEDSA-N 456.549 2.909 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(F)c1 1474781559 IDGLPIAEQGCGCK-UHFFFAOYSA-N 459.524 2.546 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1495732987 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C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1540870640 ROHPBWQCTKHDKK-JOCHJYFZSA-N 480.613 2.663 30 10 JFEE CC(C)(O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541243773 FSNHPBACXKHVSD-UHFFFAOYSA-N 485.390 2.790 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCOC1 1547852484 CVDKUVVVUNWXQX-DRSNIGMVSA-N 450.584 2.924 30 10 JFEE N#CCc1ccnc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 1563138990 BDUUNKKMEUFGJN-UHFFFAOYSA-N 454.339 2.993 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(OC)c1OC 1587620315 CDWBTWLBYIAZLY-AWEZNQCLSA-N 453.499 2.538 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1587692300 BXBYQGKSUSDANK-NNPDTBDGSA-N 451.571 2.779 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1587719256 XDBWTUKDSKACMW-WIYYLYMNSA-N 459.616 2.860 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1587719294 YQXQNVVRKSCJBN-LJQANCHMSA-N 471.627 2.845 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1587765598 IPANDYOIDAKDKJ-UHFFFAOYSA-N 466.590 2.534 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1587766085 NYRAYTYKDWNLKO-JOCHJYFZSA-N 483.638 2.645 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(Oc2ccccc2F)c1 1587989638 LTSCLXPOVPJWAC-KRWDZBQOSA-N 455.515 2.624 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1588058722 BEACVTZDGMASIB-PMACEKPBSA-N 465.019 2.964 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)cc1C(F)(F)F 1588245494 GKRTXSJZSOBJQR-UHFFFAOYSA-N 459.472 2.939 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1ccccn1 1588628912 QJJHTORLUAPYMB-UHFFFAOYSA-N 471.565 2.960 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)N[C@H](C)CC)CC1 1588762348 HBJZBYILKZVQCJ-MRXNPFEDSA-N 491.409 2.907 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1595219795 XSJMFULSGNEFQN-OAQYLSRUSA-N 459.616 2.763 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@](=O)C(C)(C)C)C1 1595722555 KYCTXXQHWFSNNC-TYHYVREOSA-N 487.674 2.781 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(C)C)C1 1595777111 IOOJYTALTDMSRQ-HXUWFJFHSA-N 455.584 2.955 30 10 JFEE C=CCC1(O)CCN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1596593374 NOUZVGAQRRLFCN-HSZRJFAPSA-N 450.535 2.816 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C1CCCCC1)N(C)C 1608563039 GPJWWPXNLUJYLQ-JOCHJYFZSA-N 493.660 2.520 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H](C(N)=O)c3ccc(O)cc3)C[C@@H]1C)C2=O 1615246170 QSGXSFMLJZRUOL-BLVOCYBJSA-N 486.908 2.686 30 10 JFEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CC(=O)NCC(F)(F)F)CCO2)c1 1620348865 APTYRFSZEGAVPO-MSOLQXFVSA-N 478.475 2.648 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 1625466468 CBTUWHCDIWNGJY-ROUUACIJSA-N 454.548 2.985 30 10 JFEE COC(=O)[C@@](C)(NS(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(Br)c1 1664390078 HWKMDBYCCUDKML-SFHVURJKSA-N 455.305 2.968 30 10 JFEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H](c3ccc(CC(C)C)cc3)N(C)C)CC2)c1C#N 1681762293 DLTHHMJYNSBZGR-HSZRJFAPSA-N 451.619 2.933 30 10 JFEE N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3CCc4ncc(Br)n4C3)CC2)c1 1682384621 IDGACDZRVBMSTO-GOSISDBHSA-N 457.376 2.796 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1OC 1690175209 ROZHESGRMHIGED-PKOBYXMFSA-N 460.625 2.897 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690193237 JCEVEBQNAWKKPU-IUKKYPGJSA-N 475.590 2.831 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1690206660 WUGCZVWRADXMBH-JXHRLWIKSA-N 489.667 2.784 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1690235603 BNQDWTVDXBTCMI-PDGJWGCVSA-N 489.642 2.838 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCCN(S(C)(=O)=O)CC1 1690307295 WHPYFVHVWIXXGN-UHFFFAOYSA-N 453.996 2.663 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690665531 HDGMHVSWFYWKHE-UYAOXDASSA-N 468.602 2.716 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1690725666 XYRLQXTXINWHRI-XMMPIXPASA-N 467.595 2.617 30 10 JFEE COC[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697734429 CMWRVEVWQVCFAF-HNNXBMFYSA-N 485.390 2.911 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNc1nccc(C(F)(F)F)n1 1705498340 UMRQIYCCEQQJSH-HNNXBMFYSA-N 469.475 2.895 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCO[C@@H](C)C2)c1 1705504003 KKLDMIMYJRQOEM-AZUAARDMSA-N 466.586 2.678 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCCC2)c1 1705505704 RRMWXBVXSJFEKG-QHCPKHFHSA-N 472.597 2.912 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1705517221 QRCRLUKTYSPMGJ-XZOQPEGZSA-N 469.655 2.942 30 10 JFEE C#CCCCn1c(C(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1705523413 QPDFJRLSTFYUCP-GOSISDBHSA-N 479.647 2.723 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cnn(CC)c2)CC1 1705646454 FSSKFKXHJBNAOB-UHFFFAOYSA-N 496.413 2.938 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705663799 QLTXNTZOJAONDK-YADHBBJMSA-N 456.612 2.823 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCCOC)c1 1705675032 VPIIUBXVGQRXCR-HYBUGGRVSA-N 472.611 2.636 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOCC)CC1 1705701553 CFCPFEHHAANMTI-XZOQPEGZSA-N 450.587 2.956 30 10 JFEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705723929 FFGXIGSNPNDIAH-UHFFFAOYSA-N 462.576 2.936 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)on1 1705860391 QXSFVTVGOXCBQT-IBGZPJMESA-N 452.540 2.589 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1705905246 OYPIMTWTNGNQST-GOSISDBHSA-N 475.553 2.720 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1705936199 LPFPUUMRSVLXTB-FHWLQOOXSA-N 497.662 2.812 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN2CCCC[C@@H]2C1 1705937829 GBPNRRYUVNADBY-JOCHJYFZSA-N 457.644 2.729 30 10 JFEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1708036966 HEDOPFNYTKTLLJ-QRQCRPRQSA-N 456.501 2.861 30 10 JFEE CCN(CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1710007194 DSKDFWXTLNFUOW-WIYYLYMNSA-N 453.591 2.596 30 10 JFEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1710897602 GELZPCQCQDHHIE-OXQOHEQNSA-N 486.623 2.784 30 10 JFEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1N(C)CCCC1(C)C 1711382530 CQORBDXRNURZEG-OAQYLSRUSA-N 467.618 2.812 30 10 JFEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1712882439 BTFDCJXQDGIUGN-HNNXBMFYSA-N 474.294 2.542 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722279945 UPJYSWJVLVGQOW-WZOHSFFVSA-N 451.571 2.830 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](CC)N2CCCC2)c1 1722309032 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465.645 2.708 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCCC2)CC1 1722695583 IPYCOZSMVGDCEB-UHFFFAOYSA-N 458.994 2.974 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722697171 GPSHZRREVXFANG-LJQANCHMSA-N 489.502 2.981 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1722708425 SQGUMGKTWPCUHJ-MRXNPFEDSA-N 452.584 2.914 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1722710722 NUNHDLJBNJKWHX-KNKQGSTJSA-N 487.567 2.984 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 1722722318 ZTUAIYJSALPKKX-RTBURBONSA-N 476.622 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccc(C)o1 1722726611 AIBSIIVGDWLAQD-HXUWFJFHSA-N 458.540 2.929 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1727115105 IEYYOTAVUIKTSW-PZJWPPBQSA-N 456.616 2.841 30 10 JFEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1728360602 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2.550 30 10 JFEE CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)N(C)C 1694300953 HIPUTIIFCNBMKP-UNMCSNQZSA-N 481.601 2.736 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2cccnc2OCC(F)F)cc1 1698488417 CPLGOOAZYMQMBA-QGZVFWFLSA-N 497.506 2.518 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCO[C@H](C)C2)c1 1705504006 KKLDMIMYJRQOEM-UYAOXDASSA-N 466.586 2.678 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCC(=O)NCCC)c1 1705505930 WEVZQBNDINISID-UHFFFAOYSA-N 459.554 2.621 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1705545553 FOKJDJVWYLVJEH-CZIZESTLSA-N 469.343 2.612 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1705560107 IKEBYRKQBIPCID-SFHVURJKSA-N 489.608 2.867 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1705580513 LJXOAUPFHKDAAF-UHFFFAOYSA-N 485.592 2.758 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H](OC)C(F)(F)F 1705580947 UNTGUIBSKHDMBX-SFHVURJKSA-N 472.471 2.715 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1705634305 QXRDTJXYIZJCDD-SFHVURJKSA-N 474.451 2.911 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1705635913 QHDMYFWKKNALJM-UHFFFAOYSA-N 463.586 2.829 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1705638747 VVVYPDDXKXSAJL-UHFFFAOYSA-N 473.625 2.587 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705651819 IITVDSOPOOJSCY-UHFFFAOYSA-N 480.638 2.962 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705692262 DLWSPFAOCKGHBB-BQFCYCMXSA-N 470.412 2.796 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1705738443 YENLYUBMRCTXOD-UHFFFAOYSA-N 464.545 2.845 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cccn3)cc2)CC1 1705781323 WAZQCOBUORUXOU-KRWDZBQOSA-N 455.588 2.525 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1705790919 JMIXAZWZMKPBSR-NJYVYQBISA-N 485.677 2.648 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705810925 LWBNFSIINKOOEP-UHFFFAOYSA-N 495.609 2.711 30 10 JFEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705812882 OIRQYWLGICKZMU-UHFFFAOYSA-N 476.528 2.686 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705913063 CNHDFVVAUWMTGL-HXUWFJFHSA-N 453.568 2.500 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C(N)=O)c2)C1 1705917810 YBKHSGIETDJFAJ-QGZVFWFLSA-N 471.359 2.964 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705949523 BDUYLYGJCBQXSZ-QHCPKHFHSA-N 475.615 2.793 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 1722370040 KMQRTOTYYJYVOU-HNNXBMFYSA-N 480.015 2.753 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCc1c[nH]nc1C 1722422572 YOCRMNRFJCOPOO-UHFFFAOYSA-N 460.380 2.796 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cnn(Cc3ccccc3)c2)CC1 1722440759 IQTKBDQPVQCTFH-UHFFFAOYSA-N 459.598 2.835 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722477375 GKSGCEUUXFPFQG-CYBMUJFWSA-N 455.382 2.668 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCOCC1 1722526937 SIOKNILVMKXCFO-UHFFFAOYSA-N 475.663 2.751 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722530762 IWGSQJWKPYDOPO-IBGZPJMESA-N 474.569 2.923 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCCOC2)C1 1722531470 SJDMQJSVQLLYMQ-HSZRJFAPSA-N 460.600 2.948 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1722535436 IDVNBHRQRXHZNG-UHFFFAOYSA-N 480.613 2.734 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1722574251 ITKSEEWUUBEZRL-PKOBYXMFSA-N 496.678 2.938 30 10 JFEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722616496 VQMRRHKIJPQVTF-HXUWFJFHSA-N 461.588 2.665 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722627449 VCLGMTFRJTWYAL-LJQANCHMSA-N 472.977 2.958 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SCC)c2)C1 1722718244 HQVXPDTUWFETCJ-ZWKOTPCHSA-N 463.629 2.517 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CCc2cccs2)CC1 1722727887 MEEAHWLYVDLPAN-UHFFFAOYSA-N 465.689 2.894 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)c1C 1724062374 AAPBRZJQCPYDNT-OALUTQOASA-N 475.615 2.977 30 10 JFEE C[C@@H]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1726529050 AOOZNSWMFDXECI-JRGCBEDISA-N 472.615 2.555 30 10 JFEE CCN(C)C(=O)Cn1c(-c2ccc(Br)s2)nnc1N(CCC#N)CCOC 1728257439 GPWJDTRFHDNIMV-UHFFFAOYSA-N 455.382 2.614 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1729608447 HFZODFTURHSHJG-UHFFFAOYSA-N 454.600 2.691 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C2CC2)c1 1740561387 DNDKDEJVCUCSBK-UIOOFZCWSA-N 481.597 2.536 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCSC)c1 1740562139 LSZTUWYEXLVIHK-UHFFFAOYSA-N 463.567 2.735 30 10 JFEE C#CCN(c1nnc(CC)n1CCc1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 1740626553 VMQFSIYNTCKWNL-ZDUSSCGKSA-N 457.419 2.534 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCN(CC)S(C)(=O)=O 1740665695 MXVGKTIBFZSFNA-UHFFFAOYSA-N 486.411 2.978 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1740669607 DPCVZDPEULQXRS-FQEVSTJZSA-N 474.650 2.699 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1740677391 UZVVWPMZMKCHJN-NRFANRHFSA-N 484.601 2.863 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740723034 OHLZXMKSRBHGQY-UHFFFAOYSA-N 469.611 2.681 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1740742814 CEJTUMPOUMZFTR-SJORKVTESA-N 468.396 2.692 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1740792619 ZUPCNNMUXFVPJO-UHFFFAOYSA-N 468.606 2.929 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740871187 SYPZOUXFASPDIB-QGZVFWFLSA-N 480.660 2.526 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1740906392 NXYJQJOPNIFCAK-JTQLQIEISA-N 450.512 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CCc2ccccc2)CC1 1740992021 LBKYBVDSTAJDPN-UHFFFAOYSA-N 459.660 2.832 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2CCCC[C@@H]2C1 1740994964 ZEUYHJKJHTUFMZ-OAQYLSRUSA-N 473.643 2.695 30 10 JFEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1741139142 AVXMCMYSMURCQI-UONOGXRCSA-N 475.525 2.850 30 10 JFEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1741807381 GSPPQGFKKKRKNP-MRXNPFEDSA-N 467.574 2.916 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1747425208 CYXDZPOOYQHHLD-SJORKVTESA-N 462.645 2.819 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCCC2)c1 1748640496 VZIICJOMVHKRTK-IRXDYDNUSA-N 460.604 2.501 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCCCC1 1748787423 AJUXTGMWOBTHGX-IBGZPJMESA-N 458.607 2.865 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1748810028 ZDBKBOLSNRVJLZ-SFHVURJKSA-N 459.959 2.878 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748820088 YWMDCKQCGCWWFH-HSZRJFAPSA-N 497.665 2.643 30 10 JFEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(OC(F)F)c1 1748842528 LKMUDQYPUYITPN-UHFFFAOYSA-N 469.448 2.737 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCN1CC 1748891788 FYZKDNCCIGJVAM-VXKWHMMOSA-N 484.645 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1748892975 ZANSNGNTJYBYHL-OAQYLSRUSA-N 464.570 2.801 30 10 JFEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1748969208 QCSJWZBFKZICNU-UHFFFAOYSA-N 457.991 2.896 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1748979733 KMSNETYDZBLTAL-NRFANRHFSA-N 451.575 2.729 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCOCC3)CCCCC2)CC1 1749001482 SWFCHMNHJAYYLK-UHFFFAOYSA-N 470.662 2.577 30 10 JFEE 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491.539 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690246428 ULORPNZCBCBUIT-HOJAQTOUSA-N 451.637 2.683 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1690258604 MBWBXVOAZCFKTF-UHFFFAOYSA-N 498.657 2.964 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1690308110 BAMLPVXLEZZECC-UHFFFAOYSA-N 451.579 2.511 30 10 JFEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690516177 AQAJGAZTMJNLHK-XLIONFOSSA-N 461.529 2.594 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690662306 YLJXADCHINHIQG-UHFFFAOYSA-N 478.018 2.838 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)n(C)c2=O)C1 1690688613 YEXJRCCYRBWRTO-KRWDZBQOSA-N 473.375 2.872 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1691550688 HGQSEBOCMKGEOJ-AREMUKBSSA-N 490.612 2.604 30 10 JFEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(OC)CCCCC1 1698060309 BPSYIAKVXGVPIF-UHFFFAOYSA-N 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30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)c1cc(OC)cc(OC)c1 1740991410 VYYAFZIEEAEQJX-MRXNPFEDSA-N 450.561 2.558 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740991684 BQGGRNVZYUZYCT-IRXDYDNUSA-N 455.625 2.571 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741968041 DHNJAWDKHQVDPA-ZHRRBRCNSA-N 494.017 2.751 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)C[C@@]2(CCOC2)O1 1743254168 HTGXWRKTVXKRPS-YDWILZRHSA-N 457.600 2.748 30 10 JFEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCSC2)CC1 1746469269 BKOGKAWALGPHNC-NRFANRHFSA-N 469.659 2.698 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1nc(C)cc1C 1748651821 RGQVJNYLVPSFHW-GOSISDBHSA-N 469.615 2.557 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nnc(C)s1 1748679580 FUANEJKCLLTNEF-IBGZPJMESA-N 464.643 2.503 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCC(CO)CC2)cc1 1748690814 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C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC(OCC)C2)CC1 1740836652 ZULAXSIHSDACKG-UHFFFAOYSA-N 460.600 2.681 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740888645 QVSIEYMSWZYCLL-UHFFFAOYSA-N 481.576 2.834 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740955467 VIQCYVLOVPRTAG-UHFFFAOYSA-N 478.553 2.556 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOCC2(C)C)C1 1740973926 HDZPOVWQKBPNSH-FQEVSTJZSA-N 456.547 2.745 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(F)ccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1740994557 SZFIOFGMJWYHPH-QHCPKHFHSA-N 478.590 2.621 30 10 JFEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1748712452 HTFAQSXITILCFH-GOSISDBHSA-N 454.600 2.996 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748808637 FDGHQXYUXBQUJP-AWEZNQCLSA-N 460.453 2.637 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748819743 SRGWNWSCYWFKPY-OALUTQOASA-N 461.657 2.668 30 10 JFEE 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2.939 30 10 JFEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCCOC)C1 1300849303 NNDRHQSKFPCVOM-QAPCUYQASA-N 465.348 2.941 30 10 JFEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1301216706 PTTJZKIZFZZXFU-UHFFFAOYSA-N 478.601 2.883 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(OC)ccc1Br 1301506375 JUYDVLNVZOQONE-UHFFFAOYSA-N 485.386 2.974 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(NC(C)=O)cc2)C1 1301535209 ITFIAFMIZDNKSX-OAQYLSRUSA-N 475.553 2.908 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1301585255 JNMZMGFNENYFFY-NRFANRHFSA-N 471.558 2.966 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301592829 DFNYBBHYWBOFBZ-MSOLQXFVSA-N 481.018 2.974 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCCCCC1 1301802652 AMQFHJCNWMGEMV-UHFFFAOYSA-N 475.615 2.800 30 10 JFEE CC(C)N(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1303292486 GTIZXBIEVXKHQC-JOCHJYFZSA-N 494.644 2.794 30 10 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472.659 2.919 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H](C)CN1CCOCC1 1359021926 HEECIGSHNKMYKO-SFHVURJKSA-N 476.419 2.762 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2ccccc2F)CC1 1359030568 YRMUNKKJSXFUAK-CPJSRVTESA-N 471.577 2.681 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCCCO2)CC1 1359041763 HTZDNYYAMUSJAL-SFHVURJKSA-N 489.418 2.961 30 10 JFEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1)c1ccccc1 1359138938 HUZGAFFOEGRSNY-HXUWFJFHSA-N 459.616 2.746 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OCC)CC1 1359198941 GEGFDEDKCRAPPN-UHFFFAOYSA-N 490.630 2.830 30 10 JFEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359228231 XHZJAJJWSGHPSO-BWKNWUBXSA-N 498.647 2.980 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCc1ccccc1 1359241511 SYNCINSZBWFEFF-HXUWFJFHSA-N 484.601 2.915 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2F)C1 1359313355 KNLPBLZHNJQQAH-XJKSGUPXSA-N 457.959 2.510 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)C1CCCCC1 1359326945 NQGOIFPEHQGRKP-KRWDZBQOSA-N 460.604 2.931 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cnn(C)c1C 1359329505 LHUDIUNMIJYKNJ-UHFFFAOYSA-N 465.583 2.772 30 10 JFEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1359343593 WQOYUPHCIBPNLD-NJDAHSKKSA-N 476.691 2.518 30 10 JFEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1359623840 GXBWQEILMIUQQJ-UHFFFAOYSA-N 475.553 2.581 30 10 JFEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C(=O)OC 1455827881 ALXGOEUWTUHIPP-MRXNPFEDSA-N 459.362 2.518 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCOC2(CCOCC2)CC1 1459310840 GHNZPFUUOLQOHQ-UHFFFAOYSA-N 453.333 2.896 30 10 JFEE CC(=O)N[C@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1cccc(Br)c1 1463870446 FPRXODLFNXYCPQ-FQEVSTJZSA-N 459.319 2.986 30 10 JFEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1503373407 ADNHAPJQVDSGAR-UHFFFAOYSA-N 497.600 2.701 30 10 JFEE 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C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507790390 IBPVNKWSZZZMHY-HOTGVXAUSA-N 460.288 2.751 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507827289 DRNFQBWCUKAKFZ-IBGZPJMESA-N 458.994 2.926 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1508009478 ZOSFZHRACLRRBE-RBUKOAKNSA-N 463.579 2.538 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1508073082 MAXXCZZYUDWHBE-HOTGVXAUSA-N 465.396 2.978 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1c(C)noc1C 1508073474 YAOCGJBMWVZESZ-UHFFFAOYSA-N 451.531 2.691 30 10 JFEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cc(OC)cc(OC)c1 1508098717 QYALSEOFLVASQK-QGZVFWFLSA-N 459.457 2.785 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1508118411 XEBKPZXFMASAJS-JXFKEZNVSA-N 466.517 2.881 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1508134449 DXTQNGNSHYIKFO-UHFFFAOYSA-N 478.018 2.648 30 10 JFEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1508163093 UKIABRBBGALTKH-QGZVFWFLSA-N 464.636 2.623 30 10 JFEE C[C@H]1CCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1510172325 CMUZAIQZGLMLQR-RBUKOAKNSA-N 483.642 2.538 30 10 JFEE Cc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1510896022 CDZSGPFKHZEUOR-JOCHJYFZSA-N 476.581 2.939 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)NC1CCCCC1 1513017412 GYHAWOXDJKWYQS-SFHVURJKSA-N 481.649 2.871 30 10 JFEE CN(C)S(=O)(=O)c1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1 1517021018 HTFPXJZXGGXHMW-XMMPIXPASA-N 479.610 2.693 30 10 JFEE C=C[C@@H](COC)NC(=O)c1cc(I)ccc1I 1529851559 YSQXGCLZBNPFKY-VIFPVBQESA-N 457.049 2.827 30 10 JFEE C[C@H](C#N)N(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)C1CC1 1531360450 GTAMFGBCVJLIEU-LJQANCHMSA-N 452.580 2.710 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539203064 NERUCRHISQPOMR-ZCNNSNEGSA-N 478.590 2.646 30 10 JFEE 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2.771 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(-c2ccccc2)n1 1540071188 CEPYLQTVMFMDFT-IBGZPJMESA-N 488.639 2.599 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCS(=O)(=O)CC1 1540191008 AHALBCZSANAJJZ-UHFFFAOYSA-N 470.599 2.799 30 10 JFEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1540853531 VWHCHGRLYCJDMT-UHFFFAOYSA-N 463.030 2.654 30 10 JFEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1540860149 OOFZHXHNHBTICC-HSZRJFAPSA-N 454.619 2.583 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1Br 1540862313 YNIZLAYYPSZZEA-UHFFFAOYSA-N 484.358 2.627 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1540874442 GZDDQSBEVCNHHC-UHFFFAOYSA-N 493.637 2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccc(Cl)s1 1540897933 VYGJRXGASOJAIO-UHFFFAOYSA-N 472.036 2.856 30 10 JFEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 1541131394 FGYQBNQLZKNEAC-HLIPFELVSA-N 461.588 2.556 30 10 JFEE 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485.514 2.814 30 10 JFEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1587765131 AZMDBDTZNMNXOH-NRFANRHFSA-N 471.627 2.795 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(N2CCOCC2)n1 1587984448 BREPUTMQEYPKIN-HXUWFJFHSA-N 495.628 2.742 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1588049329 FCLQXISTONLSFK-FQEVSTJZSA-N 482.654 2.795 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCCC1 1588258668 GXDRMJZMXLXPAV-KDURUIRLSA-N 468.602 2.557 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1588947095 LEYDIVMWPSYTJH-MGBGTMOVSA-N 473.618 2.521 30 10 JFEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589027569 OXZGPHNNGMSIGP-UHFFFAOYSA-N 461.657 2.734 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1589548260 YHFNJXDBUOCMKJ-SLSDLSHTSA-N 472.678 2.981 30 10 JFEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1589708486 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CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1cccc(C(=O)NC)c1 1708525568 FTCZJVYEQYZJBH-IBGZPJMESA-N 472.597 2.987 30 10 JFEE CCCOc1ncccc1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1709871582 BLZWPIVEMCSFEU-SFHVURJKSA-N 452.490 2.957 30 10 JFEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O)[C@@H]1CCCN(c2cccnn2)C1 1711045464 CNOZVLQKIDTLAZ-HXUWFJFHSA-N 476.585 2.785 30 10 JFEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCSC(F)(F)F)c2ccccc2c1=O 1711281697 DMUDLJUYCXZOMQ-SFHVURJKSA-N 467.452 2.887 30 10 JFEE COCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1712118931 DOEPEVGQQZCYFQ-UHFFFAOYSA-N 453.591 2.677 30 10 JFEE N#C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCCO2)CCO1 1712885898 BXZPVWZQVQPDJR-MSOLQXFVSA-N 462.348 2.917 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1722309335 WYBXENCJEYBDDM-ROUUACIJSA-N 494.612 2.853 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1722316067 AQACYRQGJLSYHQ-FQEVSTJZSA-N 475.659 2.649 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722373120 FBCADNDHKXDPTM-XSDIEEQYSA-N 471.602 2.578 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1722387476 FKHGWIRWDXKMCO-SFHVURJKSA-N 456.591 2.728 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(CC)nn(C)c1CC 1722398757 CHCRMJIQLLNZSZ-UHFFFAOYSA-N 454.582 2.886 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2c(C)noc2C)n1 1722429127 HPKSKGRYMOEGRT-OAQYLSRUSA-N 453.547 2.656 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2ccccc2Cl)CC1 1722446434 WHZQVUYLRSSZCP-UHFFFAOYSA-N 452.946 2.971 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1722450887 SRDIBVAXLXQKEG-RXFWQSSRSA-N 467.614 2.928 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccco1 1722468902 XPQBSVMNSRIVEW-DHIUTWEWSA-N 454.552 2.841 30 10 JFEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCS(=O)(=O)CC 1722481562 CPRPAPZGHCJEOT-UHFFFAOYSA-N 479.404 2.910 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722505243 JLUUFIWXVFWTEX-GGAORHGYSA-N 458.651 2.907 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccc(Br)cc1 1722519214 PJXHIFKQZSDHJA-CQSZACIVSA-N 456.410 2.906 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C)c1ccccc1 1722596607 LJXFILNDBLQLNX-UXHICEINSA-N 459.616 2.501 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cn1 1722655744 QFKKGUAELZTLGY-MRXNPFEDSA-N 469.546 2.535 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722727994 SHJYUXSNQVOADX-LJQANCHMSA-N 461.636 2.661 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1722731362 LMUZAWHRBDBBQO-CJFMBICVSA-N 469.586 2.634 30 10 JFEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(C)CC(F)(F)F)c2ccccc2c1=O 1728659960 CFMOPRNJTYNTFR-OAQYLSRUSA-N 492.481 2.611 30 10 JFEE N#CCCN(CC1CC1)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)c1cc[nH]n1 1731188948 GQGADLGQMJFDAH-UHFFFAOYSA-N 483.374 2.991 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740623161 PHCWJQCMISFHQB-HKBOAZHASA-N 477.675 2.657 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625635 RUYQWSFSYJVKCD-JOCHJYFZSA-N 470.639 2.897 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740629061 ZMJVRXMFYZZPHW-FCHUYYIVSA-N 485.654 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1740659335 UVKMDWMOUZVAFE-UHFFFAOYSA-N 469.033 2.999 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1740694013 VKHJYKJREIIFPX-OYRHEFFESA-N 466.630 2.597 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](CCC)OC)CC1 1740703620 YTLBHWISSBNLRH-GOSISDBHSA-N 491.434 2.827 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740740366 CFDCXOZQTTUJJH-HNNXBMFYSA-N 463.336 2.522 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCS(=O)(=O)CC 1740761903 ZQGQTUWEHIVFON-NQIIRXRSSA-N 450.580 2.860 30 10 JFEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740784402 FJRRRYRMIAOOEI-NRFANRHFSA-N 477.613 2.828 30 10 JFEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740785430 DSKHBPBYISGDJF-HSZRJFAPSA-N 472.609 2.804 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1740834187 MEONRMPHPNMTMQ-SFHVURJKSA-N 472.556 2.862 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740869040 ZFGQVUGSDYNHGM-BZSNNMDCSA-N 484.667 2.984 30 10 JFEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740889879 SANGBUMZSRWDDH-FQEVSTJZSA-N 464.570 2.736 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)CC 1740921018 JAZQMKOCQMFYEA-UHFFFAOYSA-N 454.506 2.816 30 10 JFEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740945606 COYHZQQDCWTGMM-FQEVSTJZSA-N 455.559 2.755 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](COC)C1 1740964536 DRLYQKXPNAMMPG-MSOLQXFVSA-N 462.595 2.515 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1ccco1 1740987210 CDUXMNIKRBMWGJ-IBGZPJMESA-N 490.607 2.884 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740994268 LULHSYKOXQEIQT-QGZVFWFLSA-N 479.653 2.874 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@](C)(O)c1ccccc1 1741477503 CKGZRPYIVUXUHM-DFBJGRDBSA-N 460.586 2.761 30 10 JFEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1C 1742269822 HYDNJMDVBAKPLQ-HXUWFJFHSA-N 472.615 2.638 30 10 JFEE C[C@@H]1CCCN(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1743064617 FJKYQYIMGRGBCW-UZUQRXQVSA-N 454.554 2.878 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)Oc1ccccc1F 1748841073 RTSHEHQLCDHARV-SFHVURJKSA-N 480.569 2.918 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1748876444 GIKYTTHXXODOCX-OAQYLSRUSA-N 471.613 2.894 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1748961180 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10 JFEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690475303 MQXMLOXFWHQSCK-LMMKCTJWSA-N 491.614 2.939 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnccn2)CC1 1690509806 JLOQGHMFFWMDAM-UHFFFAOYSA-N 455.513 2.856 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC1(O)CCS(=O)(=O)CC1 1690558572 VKJIWWGWSGRLPE-UHFFFAOYSA-N 481.578 2.851 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690671847 AJFWHBGSLFWSIJ-UHFFFAOYSA-N 493.440 2.821 30 10 JFEE CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1692447743 FTUMMSVDEWIWTD-NRFANRHFSA-N 455.559 2.522 30 10 JFEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1 1693683093 HMLQZLSBSXKNGU-QYZOEREBSA-N 458.632 2.806 30 10 JFEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1693948241 HJTQAXLGFDOIKG-UUOWRZLLSA-N 466.586 2.632 30 10 JFEE CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C12CCC2 1696189493 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C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1C1OCCO1)[C@H]1CCS(=O)(=O)C1 1722368474 SDGVQURCPHNRNQ-IBGZPJMESA-N 472.611 2.587 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN(CC(C)C)C1 1722386528 BJLXOEPFQMVDSP-HXUWFJFHSA-N 452.628 2.710 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1722423150 XLDWCCGLBUAOJE-OAQYLSRUSA-N 455.534 2.548 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCc2c[nH]nc2C)CC1 1722432586 BHUPVGNZAMNIRO-UHFFFAOYSA-N 455.513 2.966 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCc3sccc3C2)CC1 1722445172 SWROVWWVGVCJNO-UHFFFAOYSA-N 454.644 2.661 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1722447948 RHAQYVXRRXVSON-QFIPXVFZSA-N 492.668 2.711 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722462645 PNNZLKCTOLJSLX-HSZRJFAPSA-N 455.584 2.871 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1722533574 AUGNCJOZSBLCHJ-UHFFFAOYSA-N 452.519 2.506 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1722617840 NAYNJXFGZCTROP-INIZCTEOSA-N 466.554 2.913 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCCC1(C)C 1722680105 XFGLRUMBPJGETI-VWLOTQADSA-N 466.586 2.772 30 10 JFEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722683505 RRSYCIUJSQSNKZ-CYBMUJFWSA-N 475.326 2.565 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CCC)C(=O)C1 1722738690 NODAVKBHUMJOAU-UHFFFAOYSA-N 484.674 2.820 30 10 JFEE Cc1cc(Cn2c(-c3nn(C(C)C)c(=O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)n(C)n1 1725837703 FJBXLMVBTFUPGO-MRXNPFEDSA-N 459.558 2.922 30 10 JFEE CN(C)C(=O)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1729293734 DPNYQIQRCYEHJU-LJQANCHMSA-N 456.978 2.900 30 10 JFEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1729827291 CXSPWSTXHOESSM-DYESRHJHSA-N 472.615 2.682 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2nc(C)cs2)c1 1740562069 FZAVVJSVSNEYMK-DNVCBOLYSA-N 477.594 2.854 30 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486.411 2.976 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1588053989 JMXOFKBIZFIZRP-MSOLQXFVSA-N 493.427 2.610 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(Br)c1 1588074765 RCPYFZIJRHUTRX-UHFFFAOYSA-N 470.371 2.601 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1588723741 PCJQMUDAELXWJJ-OAQYLSRUSA-N 469.634 2.608 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1588857129 JBNJADWEPJHWOV-UHFFFAOYSA-N 464.639 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(OC)nc2OC)CC1 1588913737 PYFUJJBBRFPQEY-UHFFFAOYSA-N 478.528 2.511 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1588974791 BLSWWUAKKNPSHE-UHFFFAOYSA-N 490.033 2.686 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(C)C)C(=O)C1 1593703134 DZOLHEZQBCGZBG-UHFFFAOYSA-N 479.423 2.943 30 10 JFEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594720947 YGATUDLNAVPXFZ-UHFFFAOYSA-N 477.569 2.740 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1594807429 OPGSXUDBQRVSMY-UHFFFAOYSA-N 464.530 2.871 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@]2(CCOC2)C1 1594812214 DDRDZJQMSQPXTE-CJFMBICVSA-N 491.633 2.981 30 10 JFEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1595369682 ZSWATHKWQHPILB-UHFFFAOYSA-N 453.465 2.951 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1595812104 NCVZXILVFBLLIL-UHFFFAOYSA-N 488.595 2.706 30 10 JFEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(S(C)(=O)=O)CC1 1595849621 DCQQTBNVMAIAKV-UHFFFAOYSA-N 492.490 2.770 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NC[C@H](O)c3ccc(O)c(O)c3)C[C@@H]1C)C2=O 1615244859 IAJYIMRJHCDEPT-KOLQHYKUSA-N 489.908 2.898 30 10 JFEE COc1ccc([C@H](NC(=O)CNc2ccc(C#N)cn2)c2cccc(S(C)(=O)=O)c2)cc1 1634618977 DWFSTEGHSWRQJY-QHCPKHFHSA-N 450.520 2.683 30 10 JFEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F 1638197571 FMELIRORFULYBO-OAHLLOKOSA-N 452.437 2.902 30 10 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481.597 2.873 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1690025458 RGPSHIRRYDLDBM-JOCHJYFZSA-N 456.472 2.663 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCCC(C)C)CC1 1690124209 HHRAECFMQFORJH-QHCPKHFHSA-N 453.587 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCOc2ncccc2Cl)CC1 1690144380 XEYBYQQXORLHAT-UHFFFAOYSA-N 479.972 2.742 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCCOC 1690203211 USNHRJWBEJOPLL-NBGIEHNGSA-N 451.571 2.993 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690249011 SDBDWCBVOPJWRG-QYWGDWMGSA-N 466.554 2.752 30 10 JFEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1690275022 PSWUSHLFVSEAAG-LJQANCHMSA-N 457.575 2.672 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690337516 QPXVSDPBBAWKHY-IAGOWNOFSA-N 464.950 2.855 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCS1(=O)=O 1690613657 PGRWEDQYQBTYNX-UHFFFAOYSA-N 461.632 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485.032 2.793 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705691618 JBTMVXWBVHXFNI-HXUWFJFHSA-N 464.339 2.546 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705707779 RCWWZCXJHUGIHS-FXTUREPZSA-N 475.634 2.724 30 10 JFEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705737749 YUKWJHDTZXPYJY-KRWDZBQOSA-N 461.513 2.615 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705810934 LYHUGDIBLOLMSU-MRXNPFEDSA-N 470.640 2.690 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1705819508 NCSZXNCNNJTFNA-WDSOQIARSA-N 481.644 2.605 30 10 JFEE C=CCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705820321 IYRSYGWSZNWKDF-AUSIDOKSSA-N 454.594 2.963 30 10 JFEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705825542 WKQVAFKZEJFWDJ-VQTJNVASSA-N 454.575 2.841 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1snnc1C)C1CC1 1705850350 QKEGQUYZVDPGNI-UHFFFAOYSA-N 459.601 2.558 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC)(CC)C1 1705901059 ZANQIJALFIFXMT-UHFFFAOYSA-N 463.586 2.994 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1705907074 ZAVFMNUZSLXREJ-UHFFFAOYSA-N 496.641 2.598 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1705912828 VROZOQFCUCLAGJ-DLBZAZTESA-N 463.604 2.505 30 10 JFEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)N1CCOCC1 1706255350 DBYOIPQAKCWYIE-PMACEKPBSA-N 478.519 2.941 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1709819476 ABPJFJCGRGYUIY-HXUWFJFHSA-N 495.628 2.776 30 10 JFEE CN(CCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1)CC(F)(F)F 1711199290 DCDSKVRVGNYIHW-UHFFFAOYSA-N 463.508 2.793 30 10 JFEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1722328285 SKCAVCGGKPJWIK-IBGZPJMESA-N 457.550 2.907 30 10 JFEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722349730 YTQPWCPCNJKMFT-UHFFFAOYSA-N 463.485 2.946 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722361209 XYHVCLVMFIERSS-KRWDZBQOSA-N 493.420 2.969 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722370064 KSMVUCWUWRKEMO-MRXNPFEDSA-N 499.540 2.608 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C1CCCCC1 1722375570 PQVMSYHTUPVNAS-RUZDIDTESA-N 483.638 2.600 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)Oc1ccccc1F 1722396196 GLGKTPJBHONCHC-OALUTQOASA-N 458.559 2.640 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722430586 GBAJLNVCHFTIJR-QSEAXJEQSA-N 486.705 2.830 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1722458755 SEONZQUOCDHCTO-PMACEKPBSA-N 457.575 2.920 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722507294 HUNFYZPODBXEKK-SLHNCBLASA-N 466.648 2.801 30 10 JFEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722521025 ZNHMIDGEPSBFAQ-UHFFFAOYSA-N 473.419 2.993 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1OC 1722523556 YVJRLUWFUATNDW-ICSRJNTNSA-N 461.588 2.537 30 10 JFEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722536347 UEDAZTWCBZZHFS-UHFFFAOYSA-N 490.612 2.998 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722538187 MDHSNHBEIMFXNY-LJQANCHMSA-N 457.579 2.628 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OC)C(CC)CC)CC1 1722565976 GRBHFOMZLUCUCM-VQTJNVASSA-N 469.652 2.609 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1 1722704849 XWMCSPOXTNPYHA-SFHVURJKSA-N 455.563 2.684 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN2CCCC2)C1 1722718560 LMHLHLYRSXDNFQ-SFTDATJTSA-N 490.649 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](CCOC)C1 1722726817 FOWLZBPMBPBZTQ-SFHVURJKSA-N 457.600 2.900 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722732444 ZDAXWUCXNVCTQG-OXQOHEQNSA-N 464.563 2.601 30 10 JFEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722735342 MSKNCUACTFPIOH-UHFFFAOYSA-N 454.644 2.917 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCCC2)c1 1740561829 JIKCSTDINNRANF-SANMLTNESA-N 481.597 2.680 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCn1ccnc1C 1740641417 JHMONSWCJCCNGD-UHFFFAOYSA-N 453.344 2.898 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N2CCCCC2)CC1 1740703622 YTXPXPSBXINZJG-UHFFFAOYSA-N 483.016 2.967 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740722967 LYBCEFGZDRQKJH-KPDCDPCYSA-N 460.575 2.606 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740754968 HQINJVXGBBWIBW-ZLNRFVROSA-N 499.637 2.828 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1740794832 ITEMTQJPUQPNLX-FPOVZHCZSA-N 460.600 2.821 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC2CCCC2)CC1 1740818364 ICAHQRPKVWHOOU-KRWDZBQOSA-N 460.604 2.809 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740947081 NVESFPFKFRAIIF-VQTJNVASSA-N 471.606 2.989 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1740954650 DDWODLQKPXFVGW-HXUWFJFHSA-N 475.597 2.928 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)c2cc[nH]n2)C1 1740976369 WFSNMMNPDKEGJH-MRXNPFEDSA-N 471.949 2.542 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740992940 PRYIDWVSJIRZLW-LPHOPBHVSA-N 470.426 2.885 30 10 JFEE C=CCSCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1741004540 DQVUELIMOCKKRB-KRWDZBQOSA-N 450.527 2.743 30 10 JFEE CC(C)(C)S(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741242231 DYPYTTRSZGNQJD-UHFFFAOYSA-N 485.658 2.817 30 10 JFEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1741879909 BCTHXDMOJFZUOS-VQIMIIECSA-N 481.557 2.618 30 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2.740 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1749114790 GYHCGAAAKUIWOH-XMSQKQJNSA-N 486.592 2.872 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)C(C)=O)CC1 1749115560 SLQHHIRKOVRQLV-NQIIRXRSSA-N 460.623 2.625 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1c(C)nn(C)c1C 1749141343 BBPRLZPGGJINIJ-KIZRIRGWSA-N 458.607 2.970 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1749154490 VTCACSXPHJSYEQ-ZWKOTPCHSA-N 452.559 2.617 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nc(C)ns2)CC1 1749285338 GDAWMEFPMIVMJT-HOTGVXAUSA-N 454.000 2.631 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N2CCOCC2)nc1 1749464641 AQMYRQDCNFMEFG-UHFFFAOYSA-N 481.988 2.764 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C(C)C)N2CCCC2)c1 1760128394 GZZQBMUWVNNCRJ-FYYLOGMGSA-N 464.614 2.959 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760182029 ASNPUDSJYDLKRE-LPHOPBHVSA-N 492.045 2.717 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760186521 CXVMEGHDOYQGDP-OAQYLSRUSA-N 472.611 2.788 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1-c1cnn(C)c1 1760222568 POHNKIUOTFPRLP-URXFXBBRSA-N 458.566 2.914 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(COC)CCOCC1 1760239961 CHHBQSUTXWLXOU-UHFFFAOYSA-N 469.561 2.736 30 10 JFEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760342794 VOBOMHIHXPQHPK-ZDUSSCGKSA-N 472.384 2.893 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760343086 XUCZJGDAFRNXMP-LJQANCHMSA-N 468.558 2.957 30 10 JFEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760347215 LBBUOGZOEUXIQR-FQEVSTJZSA-N 464.536 2.986 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760354145 POQCOAXRBJRDOB-UHFFFAOYSA-N 472.981 2.990 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760371080 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C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283957347 PAPMTGXDLQGDLN-KXBFYZLASA-N 460.380 2.539 30 10 JFEE COCC1(C(=O)NCc2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2283958461 ZYPQPIGUAODYOV-UHFFFAOYSA-N 480.436 2.855 30 10 JFEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CC[C@@H](O)CNC(=O)OC(C)(C)C 2283969771 RDJCQKIMSQWJIY-LJQANCHMSA-N 462.396 2.610 30 10 JFEE COCC1(C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2283985619 LMJWCGRODSNCKH-UHFFFAOYSA-N 464.343 2.947 30 10 JFEE COC[C@H](CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21)NC(=O)OC(C)(C)C 2284067466 MMNHYDHTDMRZRV-SFHVURJKSA-N 460.380 2.805 30 10 JFEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccnc2)C1=C(O)c1ccc(Br)cc1 2297740781 JGLCZBUGXXSWSQ-LJQANCHMSA-N 472.339 2.598 30 10 JFEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 2325565266 FTCGQAJIFOJFGV-UHFFFAOYSA-N 478.593 2.907 30 10 JFEE CCc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 2325880741 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C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1539385019 UIZKHYJZBOISMD-UHFFFAOYSA-N 484.337 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(COC)CCC2)CC1 1539488531 LKSPEECDTLCCNU-UHFFFAOYSA-N 469.561 2.779 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1539491060 LKAPYLVSOMRTLQ-UHFFFAOYSA-N 495.584 2.766 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1539607119 ZYKSEVFLCGVLSX-UHFFFAOYSA-N 463.336 2.896 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCOCC1 1539619765 HWLHVRVGOOMCNG-PZJWPPBQSA-N 456.547 2.603 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)[C@@H]1CC 1539750780 CKCFMKVLFIOHMK-OALUTQOASA-N 476.622 2.700 30 10 JFEE C#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)C1CCOCC1 1539808417 SBLVLEIZQYPEHU-QFBILLFUSA-N 451.336 2.985 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCOCCS(C)(=O)=O)CC1 1539855860 KCTURRPIOHTXOF-UHFFFAOYSA-N 499.431 2.837 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1539900105 HNPDBLIDWFQCHS-SFHVURJKSA-N 494.648 2.952 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@@H]1C 1540127649 SYVHPZAOLOLKMA-FQEVSTJZSA-N 461.570 2.839 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1540873012 JZZQMLSIQDDXCT-UHFFFAOYSA-N 484.601 2.649 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1540873244 RZXULMLTUSUREG-NRFANRHFSA-N 451.619 2.659 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1540875181 DCWYVPCUNMUKOP-MOPGFXCFSA-N 457.550 2.941 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1540880683 NZXOGKSHJSAIFW-PMACEKPBSA-N 466.586 2.583 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCN(C(C)=O)CC2)C1 1540883770 DZGPBCMJWMSOJK-UPVQGACJSA-N 496.656 2.980 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1541198956 HVOLMRXILFHJOI-UHFFFAOYSA-N 488.596 2.997 30 10 JFEE 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C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@H]2CC)CC1 1588892104 XFJAJNGYJHEXOE-QVNIBDNGSA-N 457.619 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1588899542 RVOCCYPISFRWPE-HSZRJFAPSA-N 496.656 2.949 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CCC)C1 1589069318 JXJXWASAHKRBTC-FQEVSTJZSA-N 455.632 2.824 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1589234844 ZLHFBUWCYHTNDQ-UDNALAFJSA-N 474.565 2.590 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3c(s2)C[C@H](C)CC3)CC1 1594014203 QCPYLNWQESRXLX-CABCVRRESA-N 450.634 2.674 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1594962635 NBLUOJXTSZBERK-RBUKOAKNSA-N 465.595 2.652 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1)C1CC1 1595058959 YFZHWJVYTGNZJU-VQTJNVASSA-N 477.606 2.937 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595477419 USNYECGZMUZMTH-JOCHJYFZSA-N 470.581 2.715 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595477443 VDIAMRLCHBMSHO-PKTZIBPZSA-N 496.656 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)OC)C1 1595759412 DZUNJCHHJUNKMQ-PMACEKPBSA-N 460.600 2.810 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1595778195 WYAIXEMHKLCFHT-HXUWFJFHSA-N 496.637 2.835 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC=C(COC)CC1 1595789205 PDVKFJXFGDSHOU-UHFFFAOYSA-N 469.567 2.984 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595905069 CFDNQTIYSOLKKI-PQTWGXLHSA-N 452.621 2.694 30 10 JFEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1598235276 DJUUFJWCGBPART-VWLOTQADSA-N 479.560 2.996 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2Cl)CC1 1619938770 DYZJQZIIIBMITE-UHFFFAOYSA-N 467.961 2.713 30 10 JFEE N#C[C@@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1629045309 AFELRAKLGZSKES-CYBMUJFWSA-N 456.343 2.676 30 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463.376 2.882 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690115782 TZMKEHJHQILQKP-LJQANCHMSA-N 482.938 2.617 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCOCC(F)(F)C(F)F)CC1 1690128933 MKXIWDUXZGJUFI-UHFFFAOYSA-N 457.447 2.680 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690146264 JNLVIACUHSGSEH-CTNGQTDRSA-N 470.643 2.502 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1690148676 PBVKRRLZRUOHNT-AFMDSPMNSA-N 467.614 2.640 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CN(C)C(C)C)CC1 1690170927 RTTYKMQBGNNBOZ-UHFFFAOYSA-N 458.632 2.929 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1Cl 1690189998 IOMXVPPBTUXHGK-IVZQSRNASA-N 496.033 2.794 30 10 JFEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCCOC 1690221378 UPBSCWQLJMHCHD-UHFFFAOYSA-N 471.425 2.928 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690358850 MGNPYSBWYAUEDI-JKSUJKDBSA-N 493.996 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2.716 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301155260 KLYCWHLVMNIOCN-UHFFFAOYSA-N 452.650 2.754 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301253157 VZGWPTHKKMKHJR-NRFANRHFSA-N 489.642 2.932 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@@H]1OC 1301342087 YEWBEPHHEMNLSS-YADHBBJMSA-N 464.570 2.630 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1301401538 AGEXUZBGIHVTPD-OAQYLSRUSA-N 470.599 2.513 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1301458352 RUIMXGZOABZEKN-HXUWFJFHSA-N 482.585 2.934 30 10 JFEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301497319 SIVPCPAEZSOSNO-UHFFFAOYSA-N 465.558 2.786 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301502924 SOCGTZUDQWLRGL-YGKZAACZSA-N 459.978 2.597 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)s2)C1 1301557195 NHPNKQYBEPZOOW-CABCVRRESA-N 457.021 2.919 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)=O)C[C@H]1C 1301575954 NUACQTDPQVOFAL-IAGOWNOFSA-N 491.683 2.789 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301577413 JCYJYEVRWNJKCY-IIBYNOLFSA-N 466.991 2.584 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)s1 1302903501 JDEHOGCLTZGBMQ-OAHLLOKOSA-N 457.618 2.661 30 10 JFEE CCc1nn(C)c(CC)c1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1306044258 HAXSEROOARGIKA-IBGZPJMESA-N 476.585 2.783 30 10 JFEE CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312468419 GBETYBQQGMYADQ-LPHOPBHVSA-N 451.518 2.797 30 10 JFEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CCO1 1315949196 APSSYMBBYWMZTM-IRLDBZIGSA-N 455.559 2.930 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 1358913515 PMBRLJMONFRGCK-RTWAWAEBSA-N 457.600 2.756 30 10 JFEE C#CCCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1358936342 LCXNGCWEJLNZJX-QHCPKHFHSA-N 464.632 2.670 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358958433 NSDKCOHKCFICHG-WLENULPWSA-N 494.564 2.724 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1358959862 RCNSJEYQSCNTHD-FQEVSTJZSA-N 480.619 2.760 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358965789 BFMFROCNKVDBQI-NHCUHLMSSA-N 456.612 2.505 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(C)(C)N2CCc3ccccc3C2)n1 1359027405 IGXAOPCENGWKOI-UHFFFAOYSA-N 461.614 2.906 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359048592 WHCJWLCAIIAYTN-IBGZPJMESA-N 489.045 2.533 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1359090671 DYHHVESAYCZSFY-YDHSSHFGSA-N 487.576 2.833 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1359256318 CCWIEPQNIPOHHK-QFIPXVFZSA-N 479.610 2.611 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1359260032 QIQBFLKQMQSIQA-GDBMZVCRSA-N 473.521 2.644 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1359261042 VATSDGHBMIODRX-MRXNPFEDSA-N 477.484 2.505 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1359277196 FEZFPCQTPLWAKT-UYAOXDASSA-N 463.604 2.772 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359304752 INMNHTHMRHKWEL-FQEVSTJZSA-N 481.626 2.591 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359329925 ZLGWZVSZGLPAIN-MOPGFXCFSA-N 476.599 2.568 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1359469590 IDIMQPOJVPTVBB-DZGCQCFKSA-N 454.959 2.757 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1359471827 AGYSKVRNQANCEI-UXHICEINSA-N 475.638 2.711 30 10 JFEE C=CCc1cc(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc(OC)c1OC 1360338051 SYFDPQFZHSITDO-UHFFFAOYSA-N 450.479 2.724 30 10 JFEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1nccs1 1360540045 DBPCKXGFJKPVFO-FUHWJXTLSA-N 485.639 2.843 30 10 JFEE C=C(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)C(=O)OC 1438398853 DVSOCKDXPZLGRU-ZWKOTPCHSA-N 450.333 2.602 30 10 JFEE C=C(C)COCCNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1445923954 STYLYUANGKGWOZ-IBGZPJMESA-N 458.584 2.822 30 10 JFEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3C3CC3)c2)CC1 1463037789 HIIRZQCICFFDDI-UHFFFAOYSA-N 452.536 2.541 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1464023390 DGNGPPPSDBSPAN-UXHICEINSA-N 464.584 2.688 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCOc3cccc(F)c3)CC2)c1C#N 1492727659 CELRNZKAJRQGCI-UHFFFAOYSA-N 466.565 2.935 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)CC1 1503888545 DPDPYJZNBOCLBT-UHFFFAOYSA-N 465.480 2.589 30 10 JFEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1504542602 FJGNNMZHCRMFFU-UHFFFAOYSA-N 461.570 2.926 30 10 JFEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1507589346 WDJGCOJELSWEAQ-BWAGFHJFSA-N 487.626 2.621 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1507627563 DTQNAFRKKBGRRV-KRWDZBQOSA-N 464.035 2.813 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507627886 LJYXGTCDZUHKQQ-JTJHWIPRSA-N 472.611 2.784 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(F)(F)Br)CC1 1507726861 DTYPTURWQPBHKF-UHFFFAOYSA-N 468.346 2.815 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(C)(C)O)c2)CC1 1507739082 MFLYDMQMYCRGQQ-QFIPXVFZSA-N 465.598 2.761 30 10 JFEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507755937 JRFGTFDFBJAHBL-UHFFFAOYSA-N 452.609 2.654 30 10 JFEE C#CCSCCn1c(N(C)Cc2nc(O)c3sccc3n2)nnc1[C@]1(OCC)CCOC1 1507759013 XPWOWTHUTWXMEH-NRFANRHFSA-N 474.612 2.643 30 10 JFEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507964939 IQDQRSVJNZNJHF-LJQANCHMSA-N 465.645 2.527 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1508051329 MHTIWEXLJXASRH-IBGZPJMESA-N 475.663 2.670 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1508096135 BSCYAOCJJRKDOH-GOSISDBHSA-N 464.492 2.777 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1508096297 FQCJURZXUGUCHM-HBFSDRIKSA-N 474.631 2.762 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccccc2)CC1 1508137153 KIUTXFJHIGNDQX-UHFFFAOYSA-N 468.627 2.597 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1508656506 GAYUMXFGIJIICL-GOSISDBHSA-N 479.585 2.694 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N(C)Cc1ccccc1 1509980880 COGAGCVDTYSILL-DYXWJJEUSA-N 458.632 2.829 30 10 JFEE C=CCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1 1532130336 MSAJEVQJSZNBRE-LJQANCHMSA-N 456.520 2.505 30 10 JFEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539058611 GGYSIBVNAHCPKU-SANMLTNESA-N 494.596 2.970 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539097475 OBKHCCQELUFYSD-FQEVSTJZSA-N 469.586 2.685 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1539154695 KDPRNKSLXRRCDC-UHFFFAOYSA-N 475.540 2.886 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539230842 LUBAZINNGNBEBJ-ZWKOTPCHSA-N 468.501 2.823 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1CC(OCC)C1 1539238502 YWOFJOFQMNYQSJ-UHFFFAOYSA-N 468.627 2.825 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1539306475 ZCGMSVOJTOGWSC-UHFFFAOYSA-N 451.534 2.560 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)Oc1cccc(OC)c1 1539315158 GASLSCFFNUGRRB-SFHVURJKSA-N 461.522 2.945 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1C1CC1 1539385212 XEARDDRJXHZTPB-AVRDEDQJSA-N 488.633 2.684 30 10 JFEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539423065 RDFUGJXKHFNWLR-BWKNWUBXSA-N 454.571 2.898 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)sc(C)c2Br)CC1 1539427687 HJVHHODIQMNQRU-UHFFFAOYSA-N 491.459 2.758 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](COC)OC)CC1 1539430426 JTXUIJXYXWPKQS-QHCPKHFHSA-N 462.598 2.769 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C)N(C)C)CC1 1539468337 DTHPRPXXNUTANU-PZJWPPBQSA-N 466.630 2.951 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(SCC)c2)CC1 1539488469 JSFMXIPYEJDNHW-UHFFFAOYSA-N 492.653 2.661 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539498355 VGGCQBNXOBZOJE-ZBFHGGJFSA-N 468.421 2.653 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1539616551 RJOQPIYOXPNMFR-DWIQEWEKSA-N 493.605 2.587 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](COC)C1 1539622373 WSMYVVLNQFNHGV-WDYCEAGBSA-N 480.407 2.879 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1539752211 GCEOQNQUEAXIMN-FQEVSTJZSA-N 465.554 2.927 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)c1 1540200400 AOTVQDWJWQILLQ-MRXNPFEDSA-N 458.506 2.886 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3cccnn3)CC2)cc1 1540877337 RJRFFJQFPNTKLP-UHFFFAOYSA-N 476.585 2.900 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1540877451 VMOOSWMWJHUEOQ-FGTMMUONSA-N 462.595 2.561 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1540882576 KSFSXVBJCSSGAB-INIZCTEOSA-N 453.634 2.705 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN2CCOCC2)C1 1540897045 ZENKZULRSBXXLM-HBMCJLEFSA-N 490.649 2.552 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540908484 XFEUWQYZOXPSLS-UHFFFAOYSA-N 486.671 2.848 30 10 JFEE CCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1546836559 FAVCZXFTENOJQF-HJPURHCSSA-N 450.547 2.774 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCOC1 1547852485 CVDKUVVVUNWXQX-GSHUGGBRSA-N 450.584 2.924 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2ccc(C)c(F)c2)CCOC1 1547854945 FPIIXCFCNYMUDC-GAJHUEQPSA-N 458.538 2.546 30 10 JFEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)CC(F)(F)F 1554275651 BVKJBKIDYQHZFS-KRWDZBQOSA-N 463.508 2.793 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1587615516 VRJYCVGVVDQMIE-IAGOWNOFSA-N 489.646 2.857 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2)c1 1587683761 NHXWTFNYFKBSGT-IBGZPJMESA-N 454.600 2.758 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1588064541 JYPJWOHBUVFWFH-PKTZIBPZSA-N 484.670 2.545 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(NC(C)=O)nc1 1588093786 QHBPDWBHEQXGJZ-UHFFFAOYSA-N 452.316 2.510 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nnnn1CC1CC1 1588181191 PLHRBEPHKOKLKK-QGZVFWFLSA-N 464.961 2.979 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1588214272 ONFIZGINPKDPRD-JOCHJYFZSA-N 457.626 2.926 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1588265619 FTNPNMYBLZPPBX-FUHWJXTLSA-N 466.007 2.955 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588280908 UXPRFKAPJFVCBW-IBGZPJMESA-N 497.518 2.694 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1588871826 RSYFHBDGCCQLEN-DHIUTWEWSA-N 480.657 2.674 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CC2)C(=O)C1 1588993723 MAWBIWVMHGQCTM-UHFFFAOYSA-N 460.401 2.885 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1589243122 UKZPJKCRMJHZLI-UDNALAFJSA-N 474.565 2.992 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1589381484 DJHIASVIBBGLDB-OAHLLOKOSA-N 475.347 2.658 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1593806515 CCXOUHBTUJDVTB-KGLIPLIRSA-N 460.387 2.952 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OCC)CC1 1594788807 UKNKNOWKIPMSNA-UHFFFAOYSA-N 467.368 2.907 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1595798530 PZNIJHYAZSAQMD-UHFFFAOYSA-N 466.677 2.540 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1595812182 OVZNHOJGADNWDI-RBUKOAKNSA-N 470.643 2.870 30 10 JFEE CCO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C1CCCC1 1616071444 BWKQWCKRWQMQOO-JOCHJYFZSA-N 494.644 2.995 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)c1 1619147531 AGRQXOOEMAEIGT-YCRPNKLZSA-N 488.342 2.946 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@]1(O)CCc2ccccc21 1627246281 GALZNBXDDIOQMA-RDPSFJRHSA-N 455.580 2.576 30 10 JFEE CCN(CC)[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccc(OC)c1 1628937603 DXYDNXOPVSKTHH-GCJKJVERSA-N 451.575 2.660 30 10 JFEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 1638075952 WRAQGXMNGPVNHY-KRWDZBQOSA-N 458.411 2.608 30 10 JFEE Cc1nc(O)c(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc1Br 1638640290 CVCYIKLSXKGWBA-UHFFFAOYSA-N 456.094 2.655 30 10 JFEE C#C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C1CCOCC1 1645985771 FINCMWCBGDIPRI-UXHICEINSA-N 458.559 2.900 30 10 JFEE C#CCOc1cccc(Cl)c1CN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1652180728 APUQXAUSTZPAPU-NRFANRHFSA-N 455.990 2.707 30 10 JFEE C=CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)C(=O)OCC 1658260034 XWYOYWRSGLGNHD-LJQANCHMSA-N 453.495 2.726 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 1658473093 DYNCLNUPXKLAPN-CYBMUJFWSA-N 457.420 2.690 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(COC)CCOCC1 1689860733 GQVDFZZKHQKVKH-QHCPKHFHSA-N 480.657 2.544 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2CC)c1 1689872072 OAONHYFZXTVUSI-HSZRJFAPSA-N 457.582 2.804 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OCCOC)C1 1689931681 FLUBUGYZEDCPMG-VQTJNVASSA-N 477.606 2.632 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1689994020 PNALZAHZJLAFET-QGZVFWFLSA-N 480.537 2.516 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1689994183 SQRTWWHAMGUDLM-INIZCTEOSA-N 452.502 2.517 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689997192 XNRKBGNBEMSWSE-YADHBBJMSA-N 496.637 2.542 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CC[C@]2(CCOC2)O1 1690054521 AJIPQCJEDGJPPP-CJFMBICVSA-N 450.539 2.667 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690165659 GMPWGBNUMKHRAP-QHCPKHFHSA-N 471.583 2.750 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690241740 WOHPKVXEGAIMCS-LNLFQRSKSA-N 466.007 2.988 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690315631 HWDIXBSTVDAGAI-UHFFFAOYSA-N 464.545 2.958 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1ccc(C(N)=O)nc1 1690558071 DDSLSYVGDGRAHU-UHFFFAOYSA-N 450.506 2.947 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1690597491 VNHSOZZNZGQXMW-LJQANCHMSA-N 481.569 2.949 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1690662842 FMOYPUYFLCHXBW-UHFFFAOYSA-N 491.434 2.557 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)N(CC)CC)CC2)cc1 1690680497 TUNKMHYRYNATQJ-NRFANRHFSA-N 468.602 2.979 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690742067 FQVWYBSAFJRCMI-YJBOKZPZSA-N 463.629 2.749 30 10 JFEE CC(C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1691545819 GLWVAHHBIULDKH-AREMUKBSSA-N 488.596 2.921 30 10 JFEE CC(C)CO[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)n1 1692440400 BBDQDXVFVOUXLD-MRXNPFEDSA-N 466.546 2.658 30 10 JFEE CC(C)N(CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1692480962 GQMIPRWMILRPIF-UHFFFAOYSA-N 493.660 2.503 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)CC1 1695930903 BPWVNLRSEZRLSS-QHCPKHFHSA-N 465.583 2.637 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C(=O)N(C)C)c1 1705548212 ZLWIIVNGQATXKS-UHFFFAOYSA-N 455.360 2.866 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705559621 DHPDONIBIYFJPJ-KZNAEPCWSA-N 467.636 2.722 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565918 KRAPIMCZUCEGDE-QUCCMNQESA-N 460.625 2.939 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705568665 SNINNGQPXSQGGX-JOCHJYFZSA-N 485.654 2.524 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705568884 WTUJCIJTMYJDPH-WOJBJXKFSA-N 470.595 2.849 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1705570254 NIAFJTVDKKGMOD-REWPJTCUSA-N 458.653 2.976 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCS(=O)(=O)N(C)C 1705573953 QZRGRAMXSGPXQH-SFHVURJKSA-N 478.018 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@H]2CCCCO2)CC1 1705645757 DFTAOSDCFLCPPW-JOCHJYFZSA-N 451.571 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)C2CC2)CC1 1705645765 DNHABCDCYMVVQV-QHCPKHFHSA-N 486.414 2.834 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705825944 IJRCUMYMDRNCQZ-ZDUSSCGKSA-N 475.434 2.985 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1705836638 ZWFKUKMZTIEJAK-UHFFFAOYSA-N 479.404 2.558 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1705847293 MTEHARPRGQQAFQ-SJORKVTESA-N 453.609 2.797 30 10 JFEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 1705911982 VUPSGNFGLKBCHX-QFIPXVFZSA-N 453.587 2.917 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOC[C@@H]2C)C1 1705929309 OCFNUXPEDADIFK-FCHUYYIVSA-N 455.603 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)=C(Br)C1 1705937999 KOEUYNBJZWWFKW-UHFFFAOYSA-N 483.436 2.620 30 10 JFEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1706837368 BCPAWNJGXBGYQP-KKSFZXQISA-N 463.629 2.884 30 10 JFEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCN1CCOC 1709548681 BLEFAQXNXJKTPU-JOCHJYFZSA-N 479.629 2.800 30 10 JFEE CN(C)C(=O)COc1cccc(Cn2c(CC3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1710990960 AUHDELQRNCDNIC-DEOSSOPVSA-N 454.550 2.968 30 10 JFEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c(Cl)c1OC 1711813277 CFPGUHFVOCNDHR-INIZCTEOSA-N 458.950 2.882 30 10 JFEE COC[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712133489 AWPKGEXDIDNGNT-GOSISDBHSA-N 477.569 2.838 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCO2)c1 1722305206 FEXCOAFLYNLVIJ-OAQYLSRUSA-N 466.586 2.822 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722323183 BMBNDHXQODYASK-QGZVFWFLSA-N 463.579 2.831 30 10 JFEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1722339037 VHVYIYBAGRSHNR-UHFFFAOYSA-N 484.052 2.825 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722370263 MPLIXTHNLUSOBU-PZJWPPBQSA-N 474.627 2.853 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1722375165 LSNCZSOSGFCXCX-NRFANRHFSA-N 457.525 2.976 30 10 JFEE 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LKLYRJNMLSUKHM-YLJYHZDGSA-N 473.412 2.858 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286563045 IILHDDKJTOAYJD-SJBKTWHCSA-N 476.647 2.524 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286565007 OBTRSTMOYAIUQA-XPNTWCBSSA-N 469.634 2.814 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1286581481 JNZFCJMMBMBKKB-INIZCTEOSA-N 463.995 2.521 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nccnc2C)CC1 1286602942 GCDJMEPVNYDWHO-UHFFFAOYSA-N 464.530 2.871 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286620560 OHVSEECGQGDGCG-WBVHZDCISA-N 493.395 2.588 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1286632159 HGDPPCHBVQFRQZ-LJQANCHMSA-N 465.023 2.847 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286646728 VLYPOTPLGWJBOK-MOPGFXCFSA-N 495.646 2.568 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286672276 KNBJIMSWPUVXIN-OAGGEKHMSA-N 479.569 2.848 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1286712184 TZSPNIOVJNJZHN-JOCHJYFZSA-N 488.654 2.655 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286721093 ZKISPRAAPLORSY-RBUKOAKNSA-N 475.615 2.789 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1286745011 AHYQDBZWMWMXNM-LJQANCHMSA-N 459.616 2.535 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCN1CCN(C(C)=O)CC1 1286749733 DHSWAMOFBLJNCA-UHFFFAOYSA-N 465.627 2.682 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnn(CC)c1 1286779874 NVTISGGHRVWBFY-UHFFFAOYSA-N 458.364 2.863 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1286790724 JTFYUZOUHIDCIB-KNKQGSTJSA-N 496.612 2.614 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286792099 MEMAKUAIXFSRCS-UHFFFAOYSA-N 465.476 2.816 30 10 JFEE Cc1nccn1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1290510531 DEUBFZWAEWSSRM-QGZVFWFLSA-N 470.603 2.529 30 10 JFEE CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1293796784 GBFUQVLNJQLKMV-VWLOTQADSA-N 465.602 2.654 30 10 JFEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)(F)F)S(C)(=O)=O 1295805533 FLAOQOOSQQBORZ-UHFFFAOYSA-N 458.510 2.877 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1296191134 HFBPWHYSNSMEBH-NZQKXSOJSA-N 451.619 2.564 30 10 JFEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCc2ccc(OC)c(OC)c2OC)CCOC1 1296582418 BNRKXDBTDXDPFO-RUZDIDTESA-N 485.585 2.939 30 10 JFEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1297321719 IFJKAGHYSRYQQB-PMACEKPBSA-N 453.008 2.643 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(N(C)C)CCOCC2)c1 1300331316 ISJCWHJUMVZQNR-UHFFFAOYSA-N 473.581 2.507 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C(N)=O)nc1 1300609423 OZBGOFMYBSBOBP-UHFFFAOYSA-N 457.307 2.848 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300665891 ROKBJOAQWAKDMG-GOSISDBHSA-N 471.911 2.948 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)c2ccc(F)cc2)CC1 1300685318 LIWNQFGVRUITDY-VWLOTQADSA-N 455.578 2.802 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1300703918 WGSAXFSHIAEULP-IFMALSPDSA-N 479.629 2.665 30 10 JFEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2csc(COC)n2)CC1 1300708130 ONRAWZICVFRVAP-UHFFFAOYSA-N 466.611 2.880 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(N(C)C)cc2)CC1 1300726835 RXOXGFXHLYSWGZ-UHFFFAOYSA-N 471.609 2.538 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1300732795 PMOUMXQYMZVEKS-FCHUYYIVSA-N 456.635 2.606 30 10 JFEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NC(C)=O)CC1 1300762097 NMVDXCBGAASOET-IBGZPJMESA-N 490.674 2.864 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN(CC)CC 1300780611 UXMNBJYSMARNLY-NTKDMRAZSA-N 472.659 2.771 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1300801962 XPUHKDRCTJTBGI-IANOAQMISA-N 466.611 2.826 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300981169 SEFQRIZAUIFSSR-FXAWDEMLSA-N 455.559 2.612 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1301423703 BSGMXXJJOQVAAG-IBGZPJMESA-N 472.546 2.738 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301482327 VFWZPQVAIUHVPP-WOJBJXKFSA-N 497.575 2.578 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1301519003 LHZRHLGVURFBFL-UHFFFAOYSA-N 498.682 2.922 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301531384 LBTZLHSDHOTOIK-OAQYLSRUSA-N 484.626 2.766 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nc(C(F)(F)F)cs2)C1 1301555725 DBEORUGZSDFHHZ-ZIAGYGMSSA-N 491.561 2.680 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1301594533 GJQCDQLJLAAKHH-WMZOPIPTSA-N 493.655 2.920 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1303761850 GFHPJMYSOFNKJV-VGSWGCGISA-N 462.957 2.921 30 10 JFEE CC[C@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1306293074 DJMZDUKPRYBUFR-YSIASYRMSA-N 472.615 2.778 30 10 JFEE C=CCc1cc(CNC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc(OC)c1OC 1311747299 GIAFVSVAWHPPGH-QHAWAJNXSA-N 459.587 2.774 30 10 JFEE CCN(CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1313800839 GFVRFUGYBPVBOE-UHFFFAOYSA-N 465.023 2.934 30 10 JFEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)C1 1314926365 FQAZYDUMVBOZTD-OAQYLSRUSA-N 464.492 2.574 30 10 JFEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1 1315449138 CBECDTZTQWLDKE-JOCHJYFZSA-N 475.590 2.871 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1315653365 HZXWQHLCLIFKMB-AOMKIAJQSA-N 455.540 2.564 30 10 JFEE COCCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1316101246 FSABSKKKLPKIEK-HXUWFJFHSA-N 463.586 2.975 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358965826 BQJAJTKUXGOCOS-JOCHJYFZSA-N 499.681 2.791 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1358987755 RCZDICAAYCFLEW-CJFMBICVSA-N 450.539 2.763 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1cccs1)N(C)C 1358988796 DCHKMNAXDRMBNZ-NRFANRHFSA-N 471.594 2.748 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccsc1 1359025333 KUVRLOINOXNBGN-IBGZPJMESA-N 475.615 2.977 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)COc2ccccc2OC)CC1 1359035632 ZEDDGZFIBSUMSY-SFTDATJTSA-N 453.587 2.651 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(OC)cc2)CC1 1359045226 ZZHALXIZOYKDFY-QFIPXVFZSA-N 467.570 2.573 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1359047524 KAJXMWWPCGHFEZ-PIBDYAPNSA-N 456.635 2.606 30 10 JFEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1359055547 HHZYYECYZPUMOQ-UHFFFAOYSA-N 453.612 2.812 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359061059 PUWWDHXHFLWLPD-INIZCTEOSA-N 499.456 2.609 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359136014 WOTXFQVULOMQPO-UHFFFAOYSA-N 459.595 2.790 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2nccnc2C)CC1 1359175605 SJHLEHIUBPMLOF-UHFFFAOYSA-N 481.626 2.939 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1359331000 JSYOZCKYXVZMNF-SFHVURJKSA-N 486.573 2.831 30 10 JFEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1360366879 AMXWYKMHLCJRLS-UUOWRZLLSA-N 455.559 2.662 30 10 JFEE Cc1ccsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1360956056 HXYFQOSPLFULMQ-LPHOPBHVSA-N 486.623 2.756 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)ccc1F 1454546840 GOHBQENIUNIPEW-ZBFHGGJFSA-N 455.552 2.808 30 10 JFEE Cc1cccc(-n2nnnc2SCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 1458823510 CPHJZTFPCZTSGA-FQEVSTJZSA-N 451.531 2.611 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2.806 30 10 JFEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C(=O)C1 1530580493 FBCDCSIYDWBZEE-UHFFFAOYSA-N 451.483 2.763 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCCC1 1539015950 RQXHADBUORYYLE-PMACEKPBSA-N 460.623 2.920 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1539071997 IYUGHLZRSDAVAM-QZTJIDSGSA-N 475.581 2.694 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539128229 WUOLBPWZYAMMJI-JOCHJYFZSA-N 450.612 2.903 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1539212317 UVCBENZXDLGBMH-OLHLWXQYSA-N 458.584 2.945 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1539296961 WORLZUVSFGHFQT-PMVMPFDFSA-N 483.638 2.828 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N1CCOCC1 1539297112 ZNOKTOFPOZTUQJ-IBGZPJMESA-N 469.973 2.783 30 10 JFEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCCCC1=O 1539384146 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454.637 2.792 30 10 JFEE CC(C)(C)OCc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)no1 1597660441 HSBFQMJMLUSSMA-GOSISDBHSA-N 463.542 2.870 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1611307571 CZZWLWKBPYTDCU-GDBMZVCRSA-N 471.505 2.908 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)C1 1618866271 GXGOUTRBCSOOIR-FQEVSTJZSA-N 450.543 2.609 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1629091011 WBFPDJCLCWJSKL-UHFFFAOYSA-N 451.907 2.926 30 10 JFEE C#C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)c1ccc(Br)cc1 1655459503 WNOMUPAFGPFRIU-OAHLLOKOSA-N 453.270 2.797 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC2(C)C)c1 1689868568 KLLWLYIDVNSYFX-PKOBYXMFSA-N 486.642 2.771 30 10 JFEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1689877118 QSTHZURGGQVYEQ-MBOZVWFJSA-N 463.579 2.797 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1689882490 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C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccc(F)c2)nc1 1705604528 NZVMPXXOYYWVHS-INIZCTEOSA-N 472.546 2.723 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccco2)N(C)C)CC1 1705643627 MXDMMPIEBMMOAW-RZUBCFFCSA-N 454.619 2.848 30 10 JFEE C#CCSCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705664785 AYVSXEJDGWYQDP-GOSISDBHSA-N 462.538 2.579 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1705674515 KTDPIGLGPBWVFV-XZDHIHRUSA-N 471.627 2.715 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCc2cccs2)CC1 1705685513 BKHXDTVTMFOQKD-INIZCTEOSA-N 465.421 2.564 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705730240 FJSXFSXOICJHOR-HNNXBMFYSA-N 481.395 2.916 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC)C(=O)C1 1705733871 WBWXFIGQPKKWEG-UHFFFAOYSA-N 451.930 2.625 30 10 JFEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705820795 ZTRTYVWSZFLINU-NZQKXSOJSA-N 466.630 2.833 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1705868060 AJCWUORNXWNPQT-LJQANCHMSA-N 492.627 2.518 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1705868299 IGESSFUHZTUFNM-HBFSDRIKSA-N 495.671 2.538 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1705876371 WHRSFZIABQCRDK-IBGZPJMESA-N 457.579 2.855 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705887854 LHMQODZYVYXUCL-KRWDZBQOSA-N 464.339 2.860 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705895668 ONOAHSWKKHUENE-UHFFFAOYSA-N 476.528 2.543 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705898011 YVWORUVTQPWLMU-OSPHWJPCSA-N 473.549 2.634 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC1CCC1)CC1CC1 1705904669 UTQYLBVJEOSXSP-HXUWFJFHSA-N 488.633 2.905 30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCSC3)C2)cc1 1705909775 HYTYBKKEUUQXMB-HTAPYJJXSA-N 477.656 2.835 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC=C)C1 1705913214 HQPKEBGLKVBRPA-VQTJNVASSA-N 458.584 2.575 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@H]2OC)C1 1705919537 GJVBXGGNZNPHLV-TUNNFDKTSA-N 489.642 2.792 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1705924120 BEKHEWURCKTIMA-NHCUHLMSSA-N 460.600 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1705934214 FLKBFBILNPNEBD-INIZCTEOSA-N 489.495 2.624 30 10 JFEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1cccc(C)c1 1705937827 GAOYTNZXXZJOQN-HXUWFJFHSA-N 457.600 2.651 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1705939620 HYJBYOSRDMWWNU-IEBWSBKVSA-N 465.645 2.776 30 10 JFEE C[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)N1CCCCC1 1706767239 CHJBJHHOKIQHKV-IBGZPJMESA-N 465.602 2.695 30 10 JFEE C[C@H]1CN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 1708248432 AIIMNXGUAKOIDL-GLDPYIMESA-N 485.658 2.899 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Br)cs2)C1 1712877262 GRXWPRPUVLARMP-KRWDZBQOSA-N 453.341 2.715 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ccc2c(c1)OCO2 1722291109 OEXXDVPHLWJOQB-MJGOQNOKSA-N 499.568 2.852 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722314158 HXDPZCCBBPHCFJ-UHFFFAOYSA-N 474.968 2.714 30 10 JFEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722365615 DTEZBGXBYDKACD-SFHVURJKSA-N 496.637 2.645 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCCC1 1722387247 CRHHSDJEFWLZSP-NJYVYQBISA-N 454.619 2.854 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)Br 1722420273 GSESMPQOWCGYTN-AWEZNQCLSA-N 456.266 2.996 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](C2CC2)N(C)C)CC1 1722435726 NKYAOBCQSUYNKF-HXUWFJFHSA-N 487.446 2.812 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)CC=C)CC1 1722446513 YWBBPFKRMNLZTR-UHFFFAOYSA-N 487.608 2.760 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCc2cnn(C)c2)CC1 1722449813 PRBFDWVKYJEDLZ-UHFFFAOYSA-N 489.624 2.806 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1722493477 HYMVONRJULAFRI-CUWPLCDZSA-N 489.642 2.998 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1722575936 CJFIBBLUZVMURP-UHFFFAOYSA-N 477.656 2.735 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1724014398 BRKIJBFZVAVGEZ-VGSWGCGISA-N 493.033 2.922 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1727115107 IEYYOTAVUIKTSW-TZIWHRDSSA-N 456.616 2.841 30 10 JFEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCC1 1728652680 AEICWHNJZHJXHL-LJQANCHMSA-N 477.613 2.816 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1740620852 SFSJNBNVJDCMBK-LJQANCHMSA-N 485.997 2.872 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740626518 BJACMVBRHYPMGQ-XXBNENTESA-N 485.635 2.641 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2csc(CC)n2)CC1 1740703247 KWSDOJBXNYXCJQ-UHFFFAOYSA-N 464.595 2.987 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 1740752054 RZAPEPOKDBOFSC-JQHSSLGASA-N 480.660 2.710 30 10 JFEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740814919 HVKJADHGMZTYPT-UHFFFAOYSA-N 481.988 2.993 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740883924 KBKXZRSTLCVSOL-MHECFPHRSA-N 458.559 2.939 30 10 JFEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1740913318 KABDYMDFINFQCN-HKUYNNGSSA-N 494.662 2.786 30 10 JFEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740949178 NFDCJJCHXOVKDK-HXUWFJFHSA-N 452.603 2.921 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2OCC)CC1 1740959480 WYMMMSVAROPDJK-UHFFFAOYSA-N 461.570 2.676 30 10 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CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283957954 UJWFNGGKDLYKKE-LJQANCHMSA-N 476.448 2.997 30 10 JFEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283968817 NBCPJRPXARHWGV-KDOFPFPSSA-N 480.436 2.860 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2283976412 CSDIGLXGALFRNH-QFIPXVFZSA-N 481.786 2.592 30 10 JFEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2284010574 FINJZFDCFLEHAP-MAUKXSAKSA-N 480.436 2.624 30 10 JFEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H](C)CCNC(=O)OC(C)(C)C 2284039558 LELGKCXJUFMAII-HNNXBMFYSA-N 464.416 2.699 30 10 JFEE Cc1ccc(CNC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296179634 BZCAPMVNHMLDQR-LJQANCHMSA-N 460.380 2.546 30 10 JFEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)cc1 2296601224 MBVHDFYZQHUUNV-QFIPXVFZSA-N 451.523 2.624 30 10 JFEE Cc1cc(C(=O)N2C[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)[C@@H](C(N)=O)C2)nn1C 2297650809 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INBNIKVGCWQMQC-UHFFFAOYSA-N 455.518 2.854 30 10 JFEE C=CCN1C(=O)N[C@@H](c2cccc(C)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)CC1 36019798 NETGOVCCYMXLMK-QHCPKHFHSA-N 483.613 2.800 30 10 JFEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)s1 58997569 QOAHFWAMKWTWQA-REZTVBANSA-N 493.556 2.725 30 10 JFEE CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C#N)C(=O)N2 72444142 OGUJLETURKUTIC-RKVPGOIHSA-N 467.526 2.788 30 10 JFEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc4ccccc24)[C@H](C#N)C(=O)N3)CC1 72444775 IZPOCVFRGJERHD-PMACEKPBSA-N 471.517 2.926 30 10 JFEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 107785528 OWQSFRRCKSSRKF-SFHVURJKSA-N 457.456 2.669 30 10 JFEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCCC1 109356880 RXPNTSDNXWODJL-UHFFFAOYSA-N 453.992 2.567 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc2c(c1)OCCO2 170325505 MLGCVLCNUIMYKZ-OAQYLSRUSA-N 455.463 2.700 30 10 JFEE CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609231560 DOZFNSGCOCWFLJ-OAQYLSRUSA-N 473.570 2.844 30 10 JFEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCc2ccccc2Br)cn1 726109429 BVYWQCNPDCWRAJ-INIZCTEOSA-N 464.389 2.976 30 10 JFEE COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2-c2ccccc2)c1 729668516 LENPOVCJZNEUSU-UHFFFAOYSA-N 493.548 2.697 30 10 JFEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)CC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729672509 QXIYIPPTEWTXEK-UHFFFAOYSA-N 488.569 2.682 30 10 JFEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCN(C)C)CC(=O)O 757206895 GYKZFMHIQIUAFO-XMMPIXPASA-N 477.561 2.782 30 10 JFEE C=CCC1(C(=O)O)CN(C(=O)[C@@H](CN(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757504676 GYPVIMNBSVVDKL-HSZRJFAPSA-N 477.561 2.945 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C(=O)O)[C@@H](C)OC 757546933 HFRJUHLHSPXKHL-KBJGYGKASA-N 450.491 2.521 30 10 JFEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1 1084369013 CFHRTVMXSYEWHM-UHFFFAOYSA-N 478.376 2.794 30 10 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C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393639 RGFSVZZSUPEIOE-GHTZIAJQSA-N 490.699 2.525 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1286453095 VOBCKSFZGOEXJH-UHFFFAOYSA-N 485.523 2.760 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)c1ccccc1 1286459976 SKNFCCPJHQLAPY-UHFFFAOYSA-N 492.399 2.596 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCC2(O)CCC2)CC1 1286475877 JGQDUKTVMUWFCV-UHFFFAOYSA-N 453.587 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCN(c3ccccc3OC)C2)CC1 1286487173 SHOKPWUVKHEPKB-HXUWFJFHSA-N 464.614 2.902 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 1286489115 GGYRBQBYPTWIIW-UHFFFAOYSA-N 496.518 2.964 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286530012 DANXLPVPFHRYJB-UHFFFAOYSA-N 477.411 2.565 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1286546163 GVSYPLRSUDVSLH-WCVJEAGWSA-N 465.542 2.648 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286671529 ZIYNKUQXDNPSND-UHFFFAOYSA-N 466.634 2.862 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1286672127 GZYFVMKESWQVNK-QGZVFWFLSA-N 453.634 2.911 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286692593 GMNNSLGEMIEXHF-UHFFFAOYSA-N 461.526 2.560 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C(N)=O)nc1 1286764840 BQIAVVRPZYVOKX-UHFFFAOYSA-N 471.359 2.889 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1286765252 AWRQIDMSLBASJP-UXHICEINSA-N 461.632 2.740 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1286771849 ZNNBVNKALOYESR-INIZCTEOSA-N 464.973 2.587 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286817372 RTYJKBXWIBFIFG-MRXNPFEDSA-N 466.007 2.694 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccoc1 1286818001 ASJDIFMQMMFVCZ-UHFFFAOYSA-N 452.540 2.961 30 10 JFEE 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470.662 2.928 30 10 JFEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595900553 FNDNUSXORFFYGZ-QGZVFWFLSA-N 463.007 2.986 30 10 JFEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)OC 1614400955 AAFNJCDDXBDXPY-PZJWPPBQSA-N 474.631 2.740 30 10 JFEE C=CCCONC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1647926167 AWKTVQBBQVUBOR-UHFFFAOYSA-N 456.156 2.504 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1662574132 WETZJRKWTYXWEF-UHFFFAOYSA-N 453.337 2.616 30 10 JFEE C#CCN(C(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1676944361 VFYAMSGDJUVQNP-LEWJYISDSA-N 456.564 2.820 30 10 JFEE C=C[C@H](C)ONC(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1682405086 MNBNMBRMAGJUEG-IEMQHYRPSA-N 451.501 2.554 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(C)C)c1 1689871997 KYJWOJXWTINAPM-IBGZPJMESA-N 471.627 2.919 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1689910475 HODZBLZGVTVPOA-QGZVFWFLSA-N 453.547 2.832 30 10 JFEE 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C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1690444187 BWTNHDIPOGDADU-QFIPXVFZSA-N 460.582 2.919 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1690526878 FMNPGRCGBJBJJE-ROUUACIJSA-N 457.579 2.668 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1690559502 GIIMDBMEFGTHKY-OAQYLSRUSA-N 465.583 2.531 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1690719736 RZLAYUFZOCMMFN-UHFFFAOYSA-N 478.615 2.957 30 10 JFEE CN(C)CC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1696613124 ICTQCNNQQXYPCE-UHFFFAOYSA-N 472.663 2.956 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1 1705481127 AHISLAPBHSGWOC-IBGZPJMESA-N 458.632 2.529 30 10 JFEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705533038 UGJGJXJOZRLPPC-HXUWFJFHSA-N 466.590 2.580 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1705568120 HYNABSHETGMCQD-WOJBJXKFSA-N 460.600 2.526 30 10 JFEE 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458.632 2.582 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1286752265 YBZFGFFWQFKUMN-QFIPXVFZSA-N 473.666 2.674 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286784619 OAKGLFUELYNVMI-UHFFFAOYSA-N 458.538 2.691 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1286789957 AQLFQLNDVSFENT-NRFANRHFSA-N 487.473 2.979 30 10 JFEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286822180 BUPPDWSEFDAAMT-UHFFFAOYSA-N 477.034 2.951 30 10 JFEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CC(C)C)c2C)CC1 1286869790 ZXSLQOCFUZMLFC-UHFFFAOYSA-N 490.612 2.997 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Br)cn2)cc1C 1289742923 HRDNASNXGIFDHE-SFHVURJKSA-N 499.373 2.535 30 10 JFEE C[C@H]1CCCC[C@@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1291085616 DRCBZZNPNCAMCP-AVRDEDQJSA-N 486.642 2.930 30 10 JFEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1291306608 CFIZCBSEVOWDJM-QZTJIDSGSA-N 477.535 2.610 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1300267955 MFWLPPRIXUIMOT-ROUUACIJSA-N 456.591 2.762 30 10 JFEE CC#CC[C@@H](CO)NC(=O)CCCc1nnc(-c2ccccc2I)o1 1300300121 DDJOUCMZTYFLOX-ZDUSSCGKSA-N 453.280 2.554 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1300403598 NTMMZVJSJBGNPW-UHFFFAOYSA-N 477.613 2.808 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)N1CCN(CC)CC1 1300511028 DLOPIQLORMZCIC-GOSISDBHSA-N 487.421 2.946 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CC(OCC)C1 1300521335 VSUBBSVGKPTZFA-UHFFFAOYSA-N 473.371 2.719 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300606967 YEJACSYZYHOLPW-QUCCMNQESA-N 472.571 2.517 30 10 JFEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300760979 IVWUMUXYISICIM-WOJBJXKFSA-N 458.676 2.539 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(C)=O)CC1 1300889228 BKMXJLWMSIGRPU-XMSQKQJNSA-N 486.642 2.698 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300894448 CAELBKGHLNUWIK-UHFFFAOYSA-N 456.566 2.941 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301127129 HUUKLCXQXFYRLL-FCQUAONHSA-N 450.518 2.937 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC(C)(C)C1 1301483722 VMGHJBVXXYHYLK-UHFFFAOYSA-N 451.369 2.732 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301520174 VDPYJHCYKYXWGM-UHFFFAOYSA-N 483.642 2.519 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1301576138 AEBCVRQAMLOOLZ-UHFFFAOYSA-N 473.643 2.803 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCOC[C@H]1OC 1305793898 GXKXMNOQIKAZEX-AKIFATBCSA-N 496.612 2.698 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCCC2)CC1 1313995332 ALRBIJMDZCPNOX-UHFFFAOYSA-N 464.618 2.933 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)CN1CCCC1 1358875132 JMCGCVRWZVSMJR-ROUUACIJSA-N 457.648 2.736 30 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C=CCSCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508167610 JUKAQEHFLCVUIB-IEGUWTFLSA-N 479.647 2.964 30 10 JFEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1511884728 HMKHBALLOQEVDI-INIZCTEOSA-N 451.472 2.808 30 10 JFEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1)N1CCCC1 1513492901 AMRNUUJNASZEJY-CPJSRVTESA-N 465.602 2.566 30 10 JFEE CCC[C@@H](C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1514284454 DXYFLDJGPWXFTO-MRXNPFEDSA-N 457.604 2.562 30 10 JFEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1517526739 FSPGMWNANAVSKN-UHFFFAOYSA-N 464.599 2.976 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCN1CCOCC1 1539030543 RUVBDDKMQGEBDI-QGZVFWFLSA-N 462.392 2.800 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539128231 WUOLBPWZYAMMJI-QFIPXVFZSA-N 450.612 2.903 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539219355 JATRRENDSLWNAU-JOCHJYFZSA-N 488.629 2.991 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1539392695 VDDSTJHUKKJFLD-IBGZPJMESA-N 496.612 2.769 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCSC1 1539399655 OQPWBCNSGIWBMD-LJQANCHMSA-N 451.390 2.662 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2csc(COC)n2)CC1 1539430229 HWUVAMYXOWCGGU-KRWDZBQOSA-N 470.574 2.964 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1539492030 ZBPJAPMBWGRUPJ-SFHVURJKSA-N 454.600 2.571 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 1539616386 QQNSICHHKRATKS-RBBKRZOGSA-N 466.586 2.797 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1539669622 SCHRFALXQHPENX-NJYVYQBISA-N 496.722 2.770 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Br)CC1 1539848137 LLNFCWCLZZDLFH-GOSISDBHSA-N 496.431 2.578 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1539981857 JQHWEGMDLFJYKC-IRXDYDNUSA-N 452.650 2.799 30 10 JFEE 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C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740876580 VDIOHAXKHCANJP-GOSISDBHSA-N 459.595 2.573 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1740888923 XHPNEANRFBHVBJ-MOPGFXCFSA-N 465.595 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1740986245 UIQPUMXUDXLFLT-UHFFFAOYSA-N 485.532 2.770 30 10 JFEE CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1741176688 GOPYIXOCRRZPKZ-QUCCMNQESA-N 456.616 2.971 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1748808367 KMPFXWFWQQGPCH-GOSISDBHSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1748809413 MPYDDAKNCSXKMZ-RBUKOAKNSA-N 490.651 2.875 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)c1ccc(C)s1 1748879940 HSYNTUWJXOKPKN-UHFFFAOYSA-N 471.583 2.896 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2ccn(C)n2)CC1 1748978455 OSKTYAKMILBKJV-HXUWFJFHSA-N 463.586 2.548 30 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2.895 30 10 JFEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031465 HMKSISLYUQUFNR-CQSZACIVSA-N 450.417 2.745 30 10 JFEE CC(C)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(C)C1CCN(C)CC1 1868784421 WRGFDWDUUCAPCZ-IRLDBZIGSA-N 459.660 2.718 30 10 JFEE CC(C)C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 1870107754 XENSUXACQYZUQM-FQEVSTJZSA-N 460.469 2.987 30 10 JFEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870521739 PSFHCMUBHYSMMK-UHFFFAOYSA-N 453.583 2.630 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)cn1CCCN(C)C 1870523005 GZBSSUSIERDWMJ-UHFFFAOYSA-N 466.626 2.712 30 10 JFEE CCCCCCCCN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532849 AXSBFAVFXBPRSI-UHFFFAOYSA-N 454.623 2.942 30 10 JFEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NCCCn3ccnc3)ncnc21 1873640404 QJFSJZIZJYZZNZ-UHFFFAOYSA-N 484.520 2.794 30 10 JFEE COc1cc(OC)c(OC)cc1/C=N/n1c(COc2cc(F)ccc2F)nnc1SCC(N)=O 1874261768 RFZZYHZPFBQKNS-YCPBAFNGSA-N 493.492 2.621 30 10 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466.517 2.755 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1540867006 HNZPUPUTAZLRBU-SFHVURJKSA-N 489.584 2.509 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540897408 IJVCLTOMNXUAFF-RHSMWYFYSA-N 492.495 2.926 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1541990328 DUFRHQUYAJTFHS-OXJNMPFZSA-N 498.531 2.695 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 1543691774 IZXTZWRSRMRVIV-UHFFFAOYSA-N 451.548 2.779 30 10 JFEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN(CC)S(C)(=O)=O 1545740861 FJOSEQNCVQTTBY-SIKLNZKXSA-N 462.595 2.934 30 10 JFEE Cc1cc(C(=O)N2C[C@H](CO)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)n(C)n1 1548406751 UKBFDLGOZGEKKA-QGZVFWFLSA-N 461.488 2.970 30 10 JFEE CO[C@@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1554604485 CTSNPFQLSBQEDE-PMACEKPBSA-N 460.586 2.865 30 10 JFEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1555524305 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C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1706746426 AHRJQHAYLQMTNV-PXNSSMCTSA-N 490.605 2.511 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(c2ccc(F)cc2F)CC1 1706847985 BCBNAFRJAFMYQC-KGLIPLIRSA-N 452.531 2.637 30 10 JFEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)CN(C)C)C2)CC1 1710289239 FNABHJDTUOFNAT-HSZRJFAPSA-N 464.662 2.621 30 10 JFEE Cn1ncc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(CC(F)(F)F)CC2)n1 1711282257 ASMGAQZTGMCIMI-UHFFFAOYSA-N 473.507 2.652 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(=O)N(C)C)CCCC1 1722283394 IQNGJULBCQDJTK-QGZVFWFLSA-N 471.005 2.968 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722295697 VHGCWCYDBANFSE-SSOJOUAXSA-N 470.618 2.861 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722360050 RJHLAOQMZGODOY-UNMCSNQZSA-N 485.654 2.702 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1722364579 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PQUOLPYATWHVJZ-JOCHJYFZSA-N 491.640 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)COC)CC1 1722450614 NREGKSHVERRGAM-UHFFFAOYSA-N 457.550 2.635 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722480584 RNONYBQBPORQCH-HOTGVXAUSA-N 453.385 2.713 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722494605 QLDFPISCJNDLDA-QSJFSLAZSA-N 452.397 2.820 30 10 JFEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722533680 CWIHRGVTPMFIPT-IBGZPJMESA-N 462.620 2.697 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1722554701 GVTKKUDMVGOXOA-HKUYNNGSSA-N 480.034 2.825 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722590686 HGCBQTLYHFJCPH-SFTDATJTSA-N 452.603 2.687 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1722667039 SZMMWCMSIMRMEK-URVUXULASA-N 451.619 2.934 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(S(C)(=O)=O)CCC2)C1 1722714843 KLWDMQKCWLBHGA-GOSISDBHSA-N 476.599 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1722728219 SMJGZYWHVNZPLJ-UHFFFAOYSA-N 484.626 2.902 30 10 JFEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722739964 NXBNACSTXXEFTP-JOCHJYFZSA-N 459.572 2.816 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(OCC)CCCC1 1729069223 FBNUWYHPJXJPJL-GOSISDBHSA-N 454.579 2.541 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1730763039 AEUHDNVOTLGBSU-SFHVURJKSA-N 491.637 2.879 30 10 JFEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740568665 LNYLISSBAXJPNP-SJLPKXTDSA-N 461.360 2.871 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1740595024 JDKPXOXQPWDINK-UHFFFAOYSA-N 468.543 2.629 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1cc(C)oc1C 1740602273 SCYQHOAACOGQQR-HSZRJFAPSA-N 470.599 2.734 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740625550 RCUMYKNXZXFWGS-ZWKOTPCHSA-N 489.667 2.723 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)c1cc[nH]n1 1740648024 BKZBHHMFISDSIR-QGZVFWFLSA-N 465.945 2.688 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nc(C)c(C)s1 1740651103 YVMJPZITAXJJBM-UHFFFAOYSA-N 457.567 2.700 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1Cc2ccccc2O1 1740686683 WCYMMIFUVDUNAZ-RTWAWAEBSA-N 497.596 2.676 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2c[nH]c3cccc(C)c23)CC1 1740691003 RUVGMUXVNKMNAN-FQEVSTJZSA-N 450.587 2.790 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(C)C)CC1 1740696125 MQNUOMPRNRPVKR-FQEVSTJZSA-N 460.623 2.778 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCOc1cccc(C(F)(F)F)n1 1740722853 GPUWNKLVMOKYTH-HXUWFJFHSA-N 450.465 2.901 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OCCOC)C1 1740805182 LATZGEHKXDTWCV-QGZVFWFLSA-N 454.980 2.733 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740849314 FQNREEAGUJTMRS-UHFFFAOYSA-N 452.650 2.708 30 10 JFEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740864769 QALLBMILGOKRTG-BHDDXSALSA-N 458.651 2.955 30 10 JFEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1)C1CC1 1740906294 ILUFBKABEUYQRA-QFIPXVFZSA-N 452.603 2.953 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCC1(O)CCOCC1 1740913865 ITNBIRIPPYPRSR-UHFFFAOYSA-N 487.564 2.921 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC 1740921426 UBQHGCIVYLQUHW-LJQANCHMSA-N 451.568 2.743 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccc(C)cc2)n1 1740941032 ACXAASWUORKWAW-IBGZPJMESA-N 471.583 2.831 30 10 JFEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740944349 BSAZJLLFDBRFCQ-UHFFFAOYSA-N 465.421 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740993743 HMCDDIRFNOFKEJ-LEWJYISDSA-N 474.627 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740995231 DZZQBVSCQOWPKQ-CEWLAPEOSA-N 490.674 2.600 30 10 JFEE CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)CC)cc1OC 1745805472 HAQQCIBDFRFQOV-OAQYLSRUSA-N 465.551 2.619 30 10 JFEE COc1ccc(Br)cc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1 1748590874 BBGXAYSVPBFXCT-UHFFFAOYSA-N 461.364 2.976 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2)c1 1748690625 VTEWYXRWZXWIMJ-HXUWFJFHSA-N 466.611 2.856 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1748697437 IJOKZJILUUGQPA-UHFFFAOYSA-N 491.640 2.695 30 10 JFEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1748739768 JSZOSXCAVNCPOK-INIZCTEOSA-N 491.459 2.925 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1748809488 UKGMWENRYHFONX-HXUWFJFHSA-N 457.625 2.977 30 10 JFEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1748819610 PZWQZXBTDGUMQM-FQEVSTJZSA-N 454.600 2.580 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1Br 1748950291 LTKPGDMDFJCNBI-OAQYLSRUSA-N 463.376 2.827 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)CC)CC1 1749004467 JQFNMKTVHPMSSR-MZNJEOGPSA-N 457.550 2.684 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(N(C)C)cc2C)CC1 1749009267 NWTQQLJZFGFXCK-UHFFFAOYSA-N 457.582 2.729 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1749019207 OXSBSYFVGKBRLP-DYESRHJHSA-N 471.989 2.901 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749020352 QIQHRIFKAFYJOD-HXOBKFHXSA-N 490.029 2.612 30 10 JFEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1749038004 MJMQIWBSFIXJSM-UHFFFAOYSA-N 468.671 2.672 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749115143 MIMDZAIFNUCYOX-AKCHCHLHSA-N 452.397 2.822 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749118660 IBFOTYLQTWMRMZ-WPYKKVEZSA-N 499.612 2.651 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1749241668 QMCFMFLXPJAILH-IBGZPJMESA-N 462.595 2.611 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1749268659 FBUCWCVWTWPDBA-ZDUSSCGKSA-N 491.832 2.961 30 10 JFEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749390998 NCOKIHNAENGIMK-UHFFFAOYSA-N 473.021 2.936 30 10 JFEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749420460 GHAQNBRLAVHWHR-CVDCTZTESA-N 452.603 2.909 30 10 JFEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(N(C)C)CCSC1 1749573346 OWMBHWZEUWNEHQ-JOCHJYFZSA-N 475.688 2.854 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1749657951 GXNKLZDXBZPHCT-UHFFFAOYSA-N 477.656 2.591 30 10 JFEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C(N)=O)CC2)cc1 1749685383 CUIZTZHSCAUBPJ-UHFFFAOYSA-N 475.597 2.910 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1749687485 UKEQYOYDMNBYKU-GOSISDBHSA-N 475.553 2.630 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1749701318 SQBSFLVDHGDFTJ-AEFFLSMTSA-N 455.481 2.891 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CN(C)C)C1 1749713692 WSDOVRVFFGCXCG-VQTJNVASSA-N 492.665 2.956 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1749725153 REQLNGAFKGEFNC-HXUWFJFHSA-N 460.600 2.807 30 10 JFEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1752416388 DQHCQFWZHJCHGD-KRWDZBQOSA-N 468.558 2.821 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCNC(=O)C(C)C)c1 1760124869 CHRYMJNQUFWXIG-UHFFFAOYSA-N 461.570 2.502 30 10 JFEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760157483 QRFPXYSQZJTVTF-XMMPIXPASA-N 491.684 2.749 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760210055 LXOVPXBONVKXRA-UHFFFAOYSA-N 494.983 2.838 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1760232323 AMLCBSXXIADUPH-GOSISDBHSA-N 482.610 2.520 30 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30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760509431 FUOLLYQXUUMKCT-SFHVURJKSA-N 463.586 2.992 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1760518808 HWGXSFGQHIWFCV-UHFFFAOYSA-N 453.518 2.862 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CCC(C)C)CC2)C1 1760542242 FERXYBDNKGJBQJ-FCHUYYIVSA-N 479.691 2.720 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(C)C)C1 1760550611 CZJRGUOITDQMPH-KRWDZBQOSA-N 486.436 2.508 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760558935 GCBBBDSSLHFMHD-HNNXBMFYSA-N 469.537 2.917 30 10 JFEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCN2CC)CC1 1763948848 CTXVGAMRUHPAGJ-URXFXBBRSA-N 492.672 2.728 30 10 JFEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C(N)=O)CCCC2)CCO1 1770751248 DLIWBQFGWYPFDT-HNNXBMFYSA-N 479.368 2.938 30 10 JFEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1771073524 ALDKHRMKLPVKFT-RTBURBONSA-N 456.591 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C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1508143184 FIHOZXFHBZAOSV-UHFFFAOYSA-N 496.559 2.635 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCN(CCc3cccs3)CC2)nnc1C(C)(C)C 1508149277 TTWOGDZUTVEDQG-UHFFFAOYSA-N 451.662 2.603 30 10 JFEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 1526783600 BQEGWSXFZYWEJD-UHFFFAOYSA-N 450.524 2.921 30 10 JFEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1 1537430234 BPKQBSWCAJOOTG-NRFANRHFSA-N 454.548 2.739 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539211403 INLPKYKMYCJOOV-HRAATJIYSA-N 468.982 2.771 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1539212319 UVCBENZXDLGBMH-SGQUHAKNSA-N 458.584 2.945 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1539213108 VYXKWYXNKOZWBR-RBUKOAKNSA-N 490.651 2.875 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539216723 WLCGHLPDHPFJAW-ULQDDVLXSA-N 482.532 2.731 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCC(F)F)CC1 1539483127 SJEBWOBRBPIZIZ-UHFFFAOYSA-N 465.932 2.770 30 10 JFEE C#CCSCCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539530211 CUEVBSDXFSMLLH-KURKYZTESA-N 476.647 2.507 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539693639 QXXWHBCXJUJZOG-UHFFFAOYSA-N 468.602 2.673 30 10 JFEE C=CC[C@H](Cn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccccc1 1539940581 SNKDLYQGIQPDIB-HSZRJFAPSA-N 464.614 2.887 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CCC(N)=O)CC1 1540866193 FZEGYBFYEJRNQF-UHFFFAOYSA-N 493.381 2.631 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1540885454 JFTQHYXKHDLUBS-GHTZIAJQSA-N 454.531 2.893 30 10 JFEE C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1541816510 CYMBWUFJKWHGNF-LJQANCHMSA-N 477.638 2.967 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(C)Cc2ccccc2C1 1541925393 BRHSSDVKWKTCGD-KRWDZBQOSA-N 456.616 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466.567 2.652 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1705861911 SMQUQELIGFTALA-LJQANCHMSA-N 488.639 2.503 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705898181 DGFGSIOLRQIAMJ-UHFFFAOYSA-N 480.613 2.731 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1705989962 HXMOZLUSMYEUPZ-UHFFFAOYSA-N 455.444 2.947 30 10 JFEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCOCC2)CC1 1706567732 BQBSOIUWTLEMEY-UHFFFAOYSA-N 452.603 2.915 30 10 JFEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)c(C)o1 1707043539 CEQNJMSOGHBKOI-XMMPIXPASA-N 483.594 2.948 30 10 JFEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722325911 MZPKZJZVGMPJSO-UHFFFAOYSA-N 487.402 2.695 30 10 JFEE C#CCCCn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722341075 RMIPURJZTBDLQC-JQYIIUTOSA-N 472.678 2.727 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722359828 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485.654 2.845 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCS(=O)(=O)C1 1286399569 JERFXHAVGIKRLB-RTWAWAEBSA-N 454.596 2.933 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCCCC1 1286415301 IWZMZESAYXKNJS-UHFFFAOYSA-N 473.669 2.592 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC1CCN(CC(F)(F)F)CC1 1286416352 YPOMTLTWWMARMB-PMACEKPBSA-N 467.536 2.739 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2cccnc2)C(C)C)CC1 1286472672 AVIKBZPQARTDLC-DEOSSOPVSA-N 492.649 2.939 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1286492970 CJUAJINLCUSRQU-UHFFFAOYSA-N 463.586 2.516 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1286495181 SCCIDEIHCZRBCH-SFLYRZDNSA-N 495.624 2.744 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCOC[C@H]1CCCO1 1286527678 HFUZXTJRFGYHPZ-WZONZLPQSA-N 457.600 2.847 30 10 JFEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286535961 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466.567 2.652 30 10 JFEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705823819 WSTJDCSFBPSAGI-GOSISDBHSA-N 463.579 2.967 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705898272 HBFQFYGLCZMUQU-INIZCTEOSA-N 476.965 2.624 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1705902616 IKLHRIWSQJKUOF-IRXDYDNUSA-N 498.575 2.555 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1705921084 LFMSNZRPZRWBDD-PXNSSMCTSA-N 455.559 2.658 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1705933284 ARTIQTVKXRDOPY-INIZCTEOSA-N 483.997 2.833 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705934458 NGSQAFAZNAMLPF-UHFFFAOYSA-N 494.621 2.648 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705936386 PWOSPWKGWOVQIY-OALUTQOASA-N 497.662 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ncc(Cl)n1C 1705938149 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C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1748820707 HUPRQIHYFYGHCS-LJQANCHMSA-N 455.584 2.792 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(CS(C)(=O)=O)CC1 1748868860 KZOGMXKDLSRRHL-UHFFFAOYSA-N 475.412 2.995 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N2CCOCC2)CCSC1 1748882565 XGHRFGZCTWDENY-DEOSSOPVSA-N 480.594 2.524 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1748960965 SJTKLQWQWZQHMY-UHFFFAOYSA-N 481.626 2.507 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1748994306 YHYNTVYJSKQLTC-VWLOTQADSA-N 457.626 2.884 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(C)noc2C)CC1 1749006051 HDSBFQBLFOGRDP-UHFFFAOYSA-N 453.934 2.612 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC)c(OC)c2OC)CC1 1749014791 OIZVOFJJKFHHBU-UHFFFAOYSA-N 469.586 2.517 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC1 1749019556 YZQDNVLTHPJUNG-UHFFFAOYSA-N 474.590 2.999 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1749268644 DTVSJHVXCVQTNV-SUMWQHHRSA-N 475.949 2.839 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H]1CCCOC1 1749655046 BOYILSOHXNRIAX-HNNXBMFYSA-N 478.391 2.881 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749681099 XBNWSOSCXHZBES-KRWDZBQOSA-N 469.977 2.615 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749721539 NBXLGRTYUJRBTI-SFHVURJKSA-N 459.616 2.791 30 10 JFEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCn2cc(Br)cn2)cc1 1751572216 BECGZCWNVIFQHB-LJQANCHMSA-N 486.374 2.944 30 10 JFEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760135361 SQRFCFOVTHKAKA-UHFFFAOYSA-N 456.547 2.866 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1760144081 CHEJMQYJTRBSIW-IBGZPJMESA-N 472.553 2.897 30 10 JFEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1760157240 IZXOYUWNLSBLLD-UHFFFAOYSA-N 477.588 2.974 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760184081 VBKSKNDVCMCJQZ-SIKLNZKXSA-N 483.638 2.589 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1760210991 YDTJOXHRMRNGHJ-UHFFFAOYSA-N 452.975 2.741 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1CC 1760223770 LPZPYJDTXIPLBX-UHFFFAOYSA-N 463.611 2.639 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1760247701 LQWBZOYOYCEQBP-UHFFFAOYSA-N 474.569 2.587 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1760254474 YADWPHREPXPJNR-FGZHOGPDSA-N 466.630 2.914 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCN2CCCC2)CC1 1760260124 WFBHVLBVBDUBBF-JOCHJYFZSA-N 485.677 2.634 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760303872 AWVPZDXBPMZAKB-UHFFFAOYSA-N 473.419 2.988 30 10 JFEE C=C(Br)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1760305438 GIGHPBPVLJSCOM-UHFFFAOYSA-N 491.415 2.713 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1760420143 JRIBYIPYNVVNLA-FCHUYYIVSA-N 480.613 2.663 30 10 JFEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760426191 IMTUNKQEGLVGDA-UHFFFAOYSA-N 490.612 2.660 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760457212 JWXTTYLLYWBTON-GOSISDBHSA-N 487.548 2.624 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1760498572 WJSVFDGVHMJPHK-SFHVURJKSA-N 463.542 2.668 30 10 JFEE C=CCn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nnc1[C@@]1(OCC)CCOC1 1760513107 KEKHVTXBCGTPCG-JOCHJYFZSA-N 463.941 2.871 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760515102 AQEPDFDPTSNDHJ-XDHUDOTRSA-N 487.004 2.849 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760515685 QTUXJSVVOQABFD-KSFYIVLOSA-N 490.402 2.784 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCCO1 1760523775 HMRQJPQTPCLNDI-RTBURBONSA-N 476.622 2.700 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1760525763 QIHQWPODLWONLK-UHFFFAOYSA-N 485.514 2.912 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(C)(C)O[C@@]3(CCOC3)C2)cc1 1760530734 UXIYJSJAWMCDIE-VWLOTQADSA-N 469.586 2.804 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760556879 SOXFMJSYHBARKK-QFIPXVFZSA-N 486.686 2.957 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1764108347 FMWHZTVQVSOINZ-UHFFFAOYSA-N 459.595 2.803 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C)CCCC2)c1 1766939826 AOZCBCLHESIIDQ-GOSISDBHSA-N 458.588 2.504 30 10 JFEE CCN1CCN(CCCn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)C[C@@H](C)C#N)CC1 1767155815 AIVMASQKHWHLSP-FQEVSTJZSA-N 461.618 2.959 30 10 JFEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1)[C@H]1CC[C@@H](C)C1 1769799173 HMEKEZYXIFPROE-NQIIRXRSSA-N 466.586 2.740 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1772660287 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C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C(C)(C)CN1C(=O)OC(C)(C)C 2362450062 BKBAFDRQRGIKGH-OAHLLOKOSA-N 462.400 2.579 30 10 JFEE C[C@H]1C[C@@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)CN1C(=O)OC(C)(C)C 2364967172 PZTVKZNPVQEDKY-UONOGXRCSA-N 464.343 2.958 30 10 JFEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2368426720 QRDZJIYVFCEYQN-IAGOWNOFSA-N 460.384 2.945 30 10 JFEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)N2CCc3ccccc3C2)n1 14160024 NRLSSPNJWXYJDR-UHFFFAOYSA-N 467.643 2.516 30 10 JFEE COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(C)=O)=C(C)N=3)ccc1O 33097134 JGLWSPPYRTUEQJ-AFHVAHMMSA-N 450.516 2.547 30 10 JFEE C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(OC)c1OCC(=O)O 209576300 HIHGPSTZZSFNKK-BOPFTXTBSA-N 450.447 2.862 30 10 JFEE CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](COS(=O)(=O)c2ccc(C)cc2)O1 263614073 ZXYDQQBNAJVTFQ-UFYCRDLUSA-N 456.538 2.544 30 10 JFEE C=CC[C@]1(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)c2ccccc2Sc2ccc(Cl)cc21 575625577 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1286820093 DVFMTEMELBWKGK-CEXWTWQISA-N 497.662 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1286821967 FGOBWOXNHRZRPJ-UHFFFAOYSA-N 485.441 2.860 30 10 JFEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cs1 1292717262 CTVNYETUXFNGSR-SFHVURJKSA-N 486.623 2.614 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2ncnn2C(C)(C)C)c1 1300331406 KLXCGPXWGBNSJT-UHFFFAOYSA-N 469.553 2.791 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1300481806 BVKGRQPTZHWECI-LJQANCHMSA-N 485.635 2.896 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300482688 GYSOHDYDVBKTDN-NZQKXSOJSA-N 499.681 2.590 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300488036 AFXZFLBCLKBFMW-HKUYNNGSSA-N 490.651 2.732 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1300490111 ZPQXDMCDLHCJLH-HXUWFJFHSA-N 480.638 2.708 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1300733755 NITKFZGKOZOMQR-INIZCTEOSA-N 487.935 2.995 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1300863641 QPQKMPBLEOKENK-VAMGGRTRSA-N 488.633 2.989 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1300873600 HLBONTVLFGNLMW-KNQAVFIVSA-N 484.601 2.795 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCCS(C)(=O)=O 1300890943 WNZWBEGMGOPBBA-IIBYNOLFSA-N 468.570 2.999 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1300914075 BCGJVSDJASCBLJ-HXUWFJFHSA-N 479.672 2.978 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1301137700 WDOFVDCYUYXOKK-SFHVURJKSA-N 471.631 2.689 30 10 JFEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1301163263 HIXYVCYDYZZCNE-FQEVSTJZSA-N 452.584 2.782 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301514180 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C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOc2ccccc21 1359018995 HROGJEGQGZINIC-NLFFAJNJSA-N 454.571 2.971 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC(F)(F)F)CC1 1359031022 NSAMFFGBMDNFKL-UHFFFAOYSA-N 483.564 2.644 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCOC(C)(C)C2)CC1 1359042014 OLBZUXVQSAHEIX-UHFFFAOYSA-N 485.032 2.675 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1359043658 CLAISACMPDMKHI-UHFFFAOYSA-N 491.562 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2csc(COC)n2)CC1 1359046000 ACPLCEFTKZOTRY-UHFFFAOYSA-N 470.624 2.547 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(F)cn2)CC1 1359047609 NAQJMBSRQXEFAD-UHFFFAOYSA-N 462.529 2.714 30 10 JFEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359060806 HYIPAISNCYYPAG-WZONZLPQSA-N 458.584 2.616 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cccs1 1359090684 FDQSPXOFOJTTFE-RYRKJORJSA-N 453.634 2.958 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1359112153 AKNHBJRHAOIKEC-SFHVURJKSA-N 489.621 2.783 30 10 JFEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCNC(=O)C(C)(C)C)CC1 1359167823 WDSBHXBYZNAATF-UHFFFAOYSA-N 479.673 2.962 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1359203159 JLAXRRRQYOQCNE-OALUTQOASA-N 465.664 2.915 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(N2CCOCC2)nc1 1359236054 XJZGFAZNTRVYCX-UHFFFAOYSA-N 450.543 2.864 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1359260983 TURDLPWXHNJPAS-FPOVZHCZSA-N 489.617 2.770 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359294876 HWJBZZZFOURXQZ-SFHVURJKSA-N 450.543 2.736 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359311397 ZNXFJWIEVIZPRZ-NRFANRHFSA-N 467.595 2.890 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1359317150 CUFJDCWCBQEXAU-IBGZPJMESA-N 453.568 2.768 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)ccc1F 1436037387 HOPPYIORJSWMLH-FQEVSTJZSA-N 455.511 2.623 30 10 JFEE C=CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H](Cc1ccccc1)C(=O)OCC 1447730060 NJHYDZZZPHBDIG-NRFANRHFSA-N 458.511 2.926 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)cc1 1472457947 CFIXHWBAEBQVLJ-UHFFFAOYSA-N 454.508 2.873 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(C)(=O)=O)cc1OC 1501233624 AOWJVDUQJCCDMQ-QFIPXVFZSA-N 461.588 2.917 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC(=O)NCc2ccco2)c1 1507552569 QHLBXWXYYGSQCV-UHFFFAOYSA-N 474.565 2.976 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1507572345 GWWLIKOJGDDKTF-UHFFFAOYSA-N 461.570 2.807 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507578052 UQXRNNZMFQHVIN-OAHLLOKOSA-N 473.375 2.686 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCN1CCC 1507687718 SDGSIXMJOKPDLT-IBGZPJMESA-N 457.648 2.962 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(CC)CC 1507764746 CRPOGUNTIRMTSA-WZONZLPQSA-N 457.648 2.961 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507794167 GUNHSRQYTKICKU-FJIJXJHWSA-N 466.630 2.963 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1508076557 GQSUEANJSMLNFP-ZWKOTPCHSA-N 470.574 2.888 30 10 JFEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 1508098128 WZLWDTQWISRGCV-UHFFFAOYSA-N 452.603 2.759 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1508430721 CQXVAGPWPIMBJB-UFYCRDLUSA-N 475.638 2.793 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCCC2)CCOCC1 1509945199 BUBSOGXJLLCKHD-SFHVURJKSA-N 471.631 2.653 30 10 JFEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)n(C)n1 1511663023 CPMNBQWTVYGNNB-UHFFFAOYSA-N 475.475 2.713 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1CCS(=O)(=O)CC1 1517124311 HDNLGMPXAFDZFP-UHFFFAOYSA-N 450.568 2.597 30 10 JFEE CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1538365289 GZVYZQAELOEKDF-TUACAJSNSA-N 451.615 2.707 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1539384002 SDDYFWRUVLMJNA-REHUZNOOSA-N 461.676 2.864 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCSC1 1539400804 LQGWWCWZPFCJDY-GOSISDBHSA-N 476.672 2.776 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCN2CC)CC1 1539474301 NWGXROLDQLHVNC-FQEVSTJZSA-N 470.021 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCC)c(OC)c2)CC1 1539481099 IDROOKOLFPZDII-JOCHJYFZSA-N 481.597 2.941 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539496492 GSBLWIKQYYUBKY-KRWDZBQOSA-N 483.573 2.510 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(C)=O)C1 1539587421 CPARVFIVHLAHTQ-MRXNPFEDSA-N 462.348 2.730 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539629959 CFIQOUPYGDAOBS-NJYVYQBISA-N 466.648 2.947 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1539722443 NQKIGDFYXQGAJT-UHFFFAOYSA-N 487.004 2.609 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539930830 DKBNSHRZTGRQFV-CJFMBICVSA-N 475.634 2.749 30 10 JFEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1539947128 IZFODFMUKAFTPG-PWHSHALESA-N 468.664 2.929 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1540862403 ATRPYJNDKKNVFK-RDTXWAMCSA-N 487.948 2.643 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540864827 LXVCHNBRDRDBED-KRWDZBQOSA-N 471.512 2.966 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC)c(OC)c2)C1 1540881553 MCLYYKYSCBCBKN-IBGZPJMESA-N 455.559 2.751 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1540900164 MRIKBBWYLZVIPK-CALCHBBNSA-N 464.588 2.567 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(NC(C)=O)nc1 1545545666 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CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1 1569156986 GUMRFWNLYQBXLS-KRWDZBQOSA-N 456.511 2.858 30 10 JFEE COc1ccc(C(=O)N(c2cccc(C#N)c2)C2CCC2)cc1S(=O)(=O)N1CCOCC1 1587313870 DASJRKHNUIXAMY-UHFFFAOYSA-N 455.536 2.787 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1587804008 RIMQHZWEBZPZDE-IBGZPJMESA-N 457.538 2.828 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCN1CCC(O)CC1 1588104863 BCUMXNNVXKGKGB-UHFFFAOYSA-N 456.388 2.627 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cc(C)cn1 1588645515 AIWRQWDIJZSLPD-UHFFFAOYSA-N 471.606 2.684 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2c(F)cccc2F)CC1 1588751435 KWHGHHKRVPOBMU-DEOSSOPVSA-N 459.541 2.595 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCN(CCC)C2)CC1 1588947553 RBBLWZYDFNWGMF-QFIPXVFZSA-N 462.642 2.875 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1589134071 CZBZBVNAVICSJF-QFQXNSOFSA-N 463.630 2.619 30 10 JFEE 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462.602 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(OCc2ccccc2)CC1 1705936697 WQAHLBOPMYRMNI-HXUWFJFHSA-N 460.600 2.568 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705939414 WZZJOEXFPLHJNG-PMACEKPBSA-N 489.667 2.727 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1706824655 FQZLZFLIVLWOSN-SFHVURJKSA-N 460.529 2.933 30 10 JFEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1711437618 CURLKNQAVHLOCE-LJQANCHMSA-N 463.542 2.517 30 10 JFEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOC1=O 1712018876 DKGXLTPRTZXAFW-OAQYLSRUSA-N 460.535 2.863 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CSCCS2)c1 1722310051 RTAHLSNLYPJLBF-SFHVURJKSA-N 465.608 2.640 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722317889 YDBYNQJUCUXOFG-CVDCTZTESA-N 477.030 2.821 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCOc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722365857 PPBBKLIRPUBUEZ-HNNXBMFYSA-N 471.505 2.521 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722367923 YATXUKDDYSOGPB-YZISKIKGSA-N 478.659 2.943 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722371218 IBUNNOZJZDCXPL-IBGZPJMESA-N 485.997 2.889 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)c1ccco1 1722376944 IZMHYOIJRRZSCC-UHFFFAOYSA-N 482.338 2.812 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(OCC(F)(F)F)nc1 1722386793 KTOCBPYNIMRDMJ-UHFFFAOYSA-N 471.487 2.791 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN(CC)C2CC2)CC1 1722435329 KTDDTNFEEFUETD-UHFFFAOYSA-N 457.420 2.947 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CN(CC)CC)c2)CC1 1722437433 SXFIEWJWDSBNNU-XMMPIXPASA-N 450.631 2.817 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(OC)CCC(C)CC2)CC1 1722449605 VZFDALBGYOCZEK-UHFFFAOYSA-N 464.614 2.825 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCNC(=O)c1cc[nH]n1 1722466733 DIAMLCCNCVPBKT-AVRWGWEMSA-N 477.569 2.962 30 10 JFEE 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C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 254304792 SALYVXQKGWHUHR-QHCPKHFHSA-N 474.538 2.890 30 10 JFEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@@H]1C(=O)O 757211713 NYWCSSSXLXFSRA-XZOQPEGZSA-N 462.502 2.619 30 10 JFEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)O 757383780 NQAHGIMXPLKQJU-UZQPLGKSSA-N 450.491 2.516 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)cc1 849130246 WEKGOYMKUITWEK-DFXJHMEVSA-N 463.603 2.581 30 10 JFEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccccc3OCc3ccccc3)n2)CC1 1084595601 ZHJRDDNGYKNUQU-UHFFFAOYSA-N 465.583 2.696 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c1 1125254443 HDKYJDJAYUJTAD-GOSISDBHSA-N 453.926 2.646 30 10 JFEE C#CCN(CC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1)C(=O)OC(C)(C)C 1136572286 URIYVKKCMFJIEO-UHFFFAOYSA-N 451.527 2.890 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286279922 RHHWINHEQHOGAO-MJGOQNOKSA-N 476.585 2.921 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286281759 ISUIZEYJZYSFPK-HXUWFJFHSA-N 459.598 2.997 30 10 JFEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386130 VHBKHDFUWXJJAP-MSOLQXFVSA-N 467.636 2.674 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286387217 BLWSVGPVCJAOKT-GMAHTHKFSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1286389637 NWJRSVQNUUCIJO-QGZVFWFLSA-N 450.511 2.822 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286390641 DAUNRCLXWIPBOM-SFHVURJKSA-N 491.589 2.781 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1286395225 RQHFVOKVMRDRSK-VQTJNVASSA-N 476.693 2.653 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)cc1 1286432143 YWIDQYVTQLLOFR-NRFANRHFSA-N 453.612 2.538 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286460677 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30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C(C)C)c1 1760124824 BLFLHZZKXBEGFA-CLJLJLNGSA-N 483.613 2.782 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760187149 IFGDPXOIPTUJQB-VSKRKVRLSA-N 489.617 2.588 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1760191190 CMVKKQCRHRWKCK-INIZCTEOSA-N 456.490 2.668 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1c(CC)nn(C)c1OC 1760200837 UTEMFJIELCZITJ-UHFFFAOYSA-N 454.538 2.556 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(F)(F)F)c1 1760234491 XKALKXNZXPZNIE-INIZCTEOSA-N 456.490 2.629 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(COC)CCOCC2)CC1 1760255023 SXPDPCTYLGGKAS-UHFFFAOYSA-N 488.430 2.906 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C 1760314864 ZVYWSBHYIIWOTF-WIYYLYMNSA-N 464.574 2.893 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1760317167 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CC(C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(F)cc1 31295212 HHNGHZHEEJVZIO-QHCPKHFHSA-N 458.559 2.517 30 10 JFEE CCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC 100227178 AIMOJFHSZASQCV-IBGZPJMESA-N 499.674 2.995 30 10 JFEE CC(=O)N[C@@H]1[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 256022328 NCPWESPFIQMGOX-FOUNJJDPSA-N 467.518 2.704 30 10 JFEE C[C@@](C#N)(CCCn1cnc(I)c1I)NC1CC1 310688211 VXSIOLFNXORKPH-LBPRGKRZSA-N 470.096 2.907 30 10 JFEE N#Cc1ccc(CNC(=O)NC[C@H](O)COc2ccc(I)cc2)c(F)c1 609253056 QEYWYZYXNKZPHW-HNNXBMFYSA-N 469.254 2.541 30 10 JFEE C#CCN(C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)[C@@H]1CCS(=O)(=O)C1 729331950 RUYUJMAJCDDIAX-HXUWFJFHSA-N 465.527 2.943 30 10 JFEE C#CCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 729331965 SCYRQAHXAZZXTJ-HNNXBMFYSA-N 463.909 2.619 30 10 JFEE C=C(Cl)CNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 1136865712 WSYOUXHKXDSABE-UHFFFAOYSA-N 455.876 2.895 30 10 JFEE 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C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690130188 BCTLLNHTUMOLDR-UHFFFAOYSA-N 482.629 2.958 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@@H](COC)OC)CC1 1690139706 XYVBYVKMFYQVOP-XLIONFOSSA-N 485.654 2.759 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690424651 WAGAXMFSUXBZHY-LJQANCHMSA-N 463.590 2.876 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690661257 YHKRTNNCGUNAPX-KSSFIOAISA-N 487.948 2.643 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCc2cccs2)CC1 1690717986 XNRILHPGJBHGOS-UHFFFAOYSA-N 496.662 2.844 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(F)(F)F)CC1 1690726499 CBXVVXPELGFHDS-UHFFFAOYSA-N 482.532 2.896 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1690742361 NXXCGHCHHHBUMI-IEBWSBKVSA-N 454.600 2.638 30 10 JFEE C[C@@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 1693844930 BLNUMHGJIRNKMG-NHCUHLMSSA-N 480.661 2.959 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1695536574 ARHUJJQYKVSTBZ-LJQANCHMSA-N 488.614 2.697 30 10 JFEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705528409 FJNKZBJLXPADFG-NRFANRHFSA-N 496.637 2.784 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1705534348 FWENCJLSBRJYNR-HXUWFJFHSA-N 499.591 2.861 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1C 1705619780 AVQBBRMTXUMLQF-YZGWKJHDSA-N 460.575 2.632 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cc(C)on1 1705626948 ONPRLWWLMCRTPM-UHFFFAOYSA-N 461.526 2.667 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)c2cccs2)CC1 1705634391 UHYXFIZFKNWZIL-HXUWFJFHSA-N 475.416 2.760 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCc2nccs2)CC1 1705642898 KYIQUPMPSGNNOF-UHFFFAOYSA-N 452.584 2.710 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](OC)C2CC2)CC1 1705650967 FCTQTLWMKIAUHH-QHCPKHFHSA-N 465.598 2.865 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](COC)C1 1705661851 KFFUYQCKVHHJSU-LJQANCHMSA-N 479.647 2.611 30 10 JFEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705687596 GTMURIXPXJHIRU-UHFFFAOYSA-N 468.400 2.627 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705722432 KZBOTFJJCLBTCA-GOSISDBHSA-N 459.616 2.614 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705726598 UUVYNGKZYGEBCJ-QHCPKHFHSA-N 468.646 2.685 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2cccs2)CC1 1705729176 OBGGBRWHVHZPFL-UHFFFAOYSA-N 458.632 2.533 30 10 JFEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1705801373 CNXWYRGLDRUUHG-UHFFFAOYSA-N 494.687 2.916 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705865479 YWVYFUFXPBGIHG-HXUWFJFHSA-N 484.601 2.877 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C1 1705914794 QINCRXSLCFGWCS-ZCNNSNEGSA-N 488.633 2.941 30 10 JFEE C=CCSCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705939778 MDVDNVCNSBARTF-BRSBDYLESA-N 499.703 2.837 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706827610 FKSLUFCCJHUBPP-DLBZAZTESA-N 481.605 2.693 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(C)CC(F)(F)F 1722278910 GBQYNWFZAXPSBX-HNNXBMFYSA-N 457.522 2.691 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCOCC1 1722290844 BODFJAYFLIDBGB-INIZCTEOSA-N 452.584 2.562 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722364177 DYXYRNSRMSFXSY-UXHICEINSA-N 489.692 2.922 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1722365841 GBJAWPDEIYLJHI-HNNXBMFYSA-N 471.446 2.976 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCSCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722368677 UQYHGFUUDDAZRE-OAQYLSRUSA-N 493.743 2.855 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1722437479 DIISBFCYPFFYLV-NRFANRHFSA-N 467.618 2.953 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1722447766 OSRHKAZUBKWDJJ-HXUWFJFHSA-N 493.656 2.501 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)s1 1722491963 PFASJAGQOWRBRW-JZXOWHBKSA-N 453.634 2.876 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722492980 VNEYSTBVFZCZLK-INMHGKMJSA-N 466.464 2.674 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722533276 NIARBSYNQISMHS-NRFANRHFSA-N 481.576 2.998 30 10 JFEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1722594840 RIMYZBQOLXLUCN-FQEVSTJZSA-N 450.587 2.689 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722683676 VWPBVNJGGGMSOC-UHFFFAOYSA-N 471.505 2.729 30 10 JFEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722685094 OYYIVENQMASSBB-UHFFFAOYSA-N 461.448 2.675 30 10 JFEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1722685303 CKEPPOOYIRZWCZ-WMLDXEAASA-N 467.389 2.707 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNS(=O)(=O)c2ccccc2)C1 1722718180 QAPLJTWDCMRIHV-SFHVURJKSA-N 457.556 2.606 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C1 1722727091 LKFRPPTZCKRPEX-QZTJIDSGSA-N 467.636 2.840 30 10 JFEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1)N1CCOCC1 1723855115 AXKKYHJTLGBGEC-QGZVFWFLSA-N 453.572 2.542 30 10 JFEE COCCn1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@](C)(C#N)C2)cn1 1730773968 FSVAHIBUHBBWMX-XMMPIXPASA-N 465.558 2.984 30 10 JFEE N#CCCN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1731187861 AVNVFLWCGQQKDF-UHFFFAOYSA-N 461.563 2.951 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)c1 1740561430 FPNCAKVGZOOYSB-NRFANRHFSA-N 465.646 2.731 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740574338 KLUYHUWHUADCGM-IBGZPJMESA-N 490.029 2.600 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740618948 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GMGDVASAPULTDG-UGCAPWQASA-N 454.571 2.939 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2357337427 VOEZESCZGKNCTI-PYMOVNHWSA-N 462.396 2.955 30 10 JFEE Cc1ccnc(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)c1B1OC(C)(C)C(C)(C)O1 2369671038 XYTSYGIVKIMGDX-HZPDHXFCSA-N 463.359 2.719 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CCOCCN2c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2372000036 GSGAYYHFCRSYJS-UHFFFAOYSA-N 463.359 2.736 30 10 JFEE COc1[nH]c(=NCCC23CC(I)(C2)C3)ccc1B1OC(C)(C)C(C)(C)O1 2381428732 PVHLULMTSPIPPA-UHFFFAOYSA-N 470.160 2.971 30 10 JFEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2N)cc1 20913780 WZZFPFXUSRWDBP-AUEPDCJTSA-N 473.946 2.917 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 47157293 SCCQLMYCJCNAAF-UHFFFAOYSA-N 463.581 2.578 30 10 JFEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(N/N=C/c3cccc([N+](=O)[O-])c3)n2)c1 58993146 UMXUSNWECFJDGU-KEBDBYFISA-N 457.472 2.907 30 10 JFEE C[C@@H]1Oc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc2NC1=O 586344607 AJUXYKXDIWUYAT-XOFPDMSJSA-N 471.560 2.786 30 10 JFEE COc1ccc2cc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc2n1 608996820 URTIOTHOYRXJMF-UHFFFAOYSA-N 451.508 2.653 30 10 JFEE C[C@H]1Oc2ccc(-c3csc(=NC[C@H]4CCCO4)n3N=Cc3cnn(C)c3)cc2NC1=O 727972298 QVBUCEXIVRKOHJ-RHSMWYFYSA-N 452.540 2.631 30 10 JFEE C#CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 729335450 OVMGXQILICTMGT-QFIPXVFZSA-N 451.523 2.870 30 10 JFEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(Cl)cc(Cl)c1 729670268 PDEXILXLYXBTPH-UHFFFAOYSA-N 496.379 2.635 30 10 JFEE C[C@H](O)[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757405313 ZQJOEBQHMAPEJU-PBNUPURSSA-N 479.533 2.928 30 10 JFEE Cc1cccc(Cl)c1OCc1ccc(C=NNc2nc(SCC(=O)NCCO)n[nH]2)o1 1084039380 YBJQRNZTDVMBSE-UHFFFAOYSA-N 464.935 2.585 30 10 JFEE COc1cc(C=NNc2nc(SCC(=O)Nc3cccc(C#N)c3)n[nH]2)cc(OC)c1OC 1084122071 XGMLOYMZCNIDNT-UHFFFAOYSA-N 467.511 2.879 30 10 JFEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3)n2)s1 1084128881 MNSYLJWHOHTWSX-UHFFFAOYSA-N 450.575 2.954 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)c2ccc(I)cc2)n1 1128671578 CEQWDEIGHFZLDB-HNNXBMFYSA-N 451.308 2.900 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c1 1150921592 WQRZWNRWCMACPJ-LJQANCHMSA-N 454.379 2.938 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1214687146 NFPIQTYNGKYLFY-LJQANCHMSA-N 456.568 2.663 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)c(OC)c1 1286298376 IYNICUHWTJCGJU-GOSISDBHSA-N 461.570 2.976 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@H](C(F)F)N1CCOCC1 1286363280 MJEUMSJPLLDDGD-WMZOPIPTSA-N 451.493 2.983 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1286408383 FVBVOPHZXZAZDC-PZJWPPBQSA-N 468.627 2.762 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCN1CCCC 1286409657 SLOPSKDIVUJOBK-NRFANRHFSA-N 481.670 2.966 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286438339 XTQVVNWVTFKJSR-UVPKRVSESA-N 473.618 2.893 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1286442725 KOPIPPHTSFNFMN-XMMPIXPASA-N 450.543 2.501 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCO[C@@H]1C(C)C 1286462248 HZLDROFKPZEOMK-TZIWHRDSSA-N 488.658 2.775 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([S@](C)=O)CC2)CC1 1286471036 GIHIRPRAVDSLKZ-INZIPBBXSA-N 462.019 2.738 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1286480919 RAGNMDGBSWGPPD-FQEVSTJZSA-N 468.568 2.592 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1286508255 HJSZOLPPYWUWOG-OALUTQOASA-N 462.616 2.755 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286609601 NWCZAJNNYNCHKQ-MRXNPFEDSA-N 454.543 2.753 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Sc2ccccc2)CC1 1286645990 KGBRSXVGPGKCQM-UYAOXDASSA-N 477.656 2.948 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286771850 ZNNBVNKALOYESR-MRXNPFEDSA-N 464.973 2.587 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](COC)C1 1286815771 AMLUELXITLPUDC-SFHVURJKSA-N 455.584 2.875 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1 1286825220 OECRXXHDZMWODJ-IBGZPJMESA-N 490.630 2.982 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286827144 FFHOUFSXNYTOLC-NRFANRHFSA-N 470.643 2.616 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286834001 WZZBZMUQNFQYOI-GOSISDBHSA-N 489.715 2.686 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286835366 WBSPRFQWWHIVGK-UHFFFAOYSA-N 460.652 2.689 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286835675 XFAKUMLAMDZSLT-AZUAARDMSA-N 452.584 2.705 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(C)(C)O)cc1 1300300053 WHZPLMJFFXLHNP-KRWDZBQOSA-N 466.611 2.972 30 10 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2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2c(CC)noc2C)CC1 1300727035 UWHIOTITSXNNFH-UHFFFAOYSA-N 464.545 2.881 30 10 JFEE C=C(Cl)Cn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1301054977 CTCJPXPEYZBNLK-DEOSSOPVSA-N 475.037 2.941 30 10 JFEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1301222664 CAESOQYBBZKRBP-WZONZLPQSA-N 463.579 2.548 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN(C)CC(F)(F)F 1301293598 DPSKEPRCJJLKHW-UHFFFAOYSA-N 452.529 2.959 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C 1301354789 JFCRLDORBCXWAZ-IBGZPJMESA-N 454.550 2.647 30 10 JFEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1301458091 CQIOZCWVESTIRT-QGZVFWFLSA-N 458.557 2.902 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC(F)(F)C2(OC)CCOCC2)C1 1301567975 ZWJGQIHVOYNUDD-IBGZPJMESA-N 463.529 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1301568311 QVGDBQHQZANABR-UHFFFAOYSA-N 494.499 2.580 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1301593508 OLOPNRKYLUZLIG-UHFFFAOYSA-N 484.047 2.526 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1301593974 ZFWOKGAVKYNBIY-UHFFFAOYSA-N 496.033 2.558 30 10 JFEE CC1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1305064796 GOJFMEYNCYIZFT-SIKLNZKXSA-N 470.643 2.809 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358960231 ZXRPYAKTESNATB-HXUWFJFHSA-N 499.593 2.712 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1358962011 IOPFMDDHTKHISA-QZTJIDSGSA-N 498.527 2.746 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@](C)(O)[C@H](C)CC 1358976431 DWMRFJGLEBIMEI-NIYFSFCBSA-N 460.582 2.935 30 10 JFEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)N1CCSCC1 1359003742 WCPKVQAJCASFAT-QGZVFWFLSA-N 493.724 2.970 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1359035448 UMVITAIKSHWFPB-NRFANRHFSA-N 453.587 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C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1705736087 JZTCLKFLUFZLHU-OAQYLSRUSA-N 453.587 2.704 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1705761130 BJDDDIKKIHLHFN-UHFFFAOYSA-N 468.602 2.868 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)c1ccccc1 1705796295 CDHDQGAIWQIQFX-NRSPTQNISA-N 472.615 2.709 30 10 JFEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705892728 CDPKKUPTTSZOSG-UTKZUKDTSA-N 458.994 2.685 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705896469 NRHXJENGQIREAZ-QGZVFWFLSA-N 457.600 2.667 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705897364 LHZNRCSVTZPSNB-CTNGQTDRSA-N 463.586 2.514 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1705914340 LVSRXXLXYSNJCU-CTNGQTDRSA-N 487.626 2.753 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(C)CN(C)C2=O)C1 1705921170 MVWSUAWHHWFGSW-ZHRRBRCNSA-N 490.402 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1705935982 HMQGCEWFEOPXSO-HKUYNNGSSA-N 466.991 2.614 30 10 JFEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(C)C)C(=O)C1 1705941288 GGSVZDHVPCWBGY-UHFFFAOYSA-N 457.600 2.940 30 10 JFEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(CC)CCS(C)(=O)=O)s1 1708957257 BILBAXKEQCTYEE-UHFFFAOYSA-N 458.613 2.949 30 10 JFEE CCN(CC)C(=O)CCCn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709995718 CHJRDBSWEPITOO-UHFFFAOYSA-N 495.676 2.900 30 10 JFEE C#CCCCn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722340698 FXGOEQVJZXOFNS-URXFXBBRSA-N 455.607 2.857 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1722366273 HDPJYLSGLFOOKD-KRWDZBQOSA-N 480.537 2.831 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCN(C(C)=O)CC1 1722384676 XEDQHTBBOLGYEO-QFIPXVFZSA-N 482.629 2.724 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCNC(=O)c2occc2C)CC1 1722434629 SQWMDHSLELZGJB-UHFFFAOYSA-N 460.582 2.984 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1722436234 ALVNALWFJNYUDQ-KNQAVFIVSA-N 463.504 2.725 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1722448599 VVPBDRGQYSYVNU-SFHVURJKSA-N 476.503 2.600 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722519554 KZBOTFJJCLBTCA-SFHVURJKSA-N 459.616 2.614 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722522938 NKPBBBSBTJARBP-UHFFFAOYSA-N 489.502 2.663 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722546447 LPXZNCPUYURTPR-ZDUSSCGKSA-N 462.801 2.812 30 10 JFEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1722604291 XLZYFCUAANOUAI-IBGZPJMESA-N 451.568 2.743 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1722659311 SJODEVKDMBVQOG-VWLOTQADSA-N 487.576 2.509 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1722676499 BSRRVYXMJKHODH-QFIPXVFZSA-N 485.610 2.796 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722688673 IOVZXSMAWSKKAL-WJONJSRFSA-N 490.402 2.783 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)CC1 1722692527 PKSZOLXTIPEQHX-DEOSSOPVSA-N 454.575 2.845 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)[C@H](CC)C1 1722694205 OGQXHWNBYYCWEW-OAHLLOKOSA-N 497.463 2.618 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCCC[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703932 LPROTZZDHVZUEV-XLGIIRLISA-N 488.677 2.712 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)nnc1C(C)(C)C 1722704195 QAFASMVWROKNGS-AREMUKBSSA-N 466.630 2.749 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1722725479 MEHQZHGXLGQZKC-UHFFFAOYSA-N 468.583 2.633 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722727268 HGPFQVJDXSWNQQ-IEBWSBKVSA-N 464.588 2.854 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 1722732827 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1740759866 FLWLJCIEQZPGNV-FIXSFTCYSA-N 488.677 2.881 30 10 JFEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740788056 ORUZASVPKZQSPI-FUHWJXTLSA-N 460.966 2.878 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740803112 GTCYNFQOJBSYCP-OAHLLOKOSA-N 498.857 2.835 30 10 JFEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 1740853679 HLOLALCASFILNF-UYAOXDASSA-N 459.616 2.743 30 10 JFEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740880378 GOVOASSOCPMERK-KZNAEPCWSA-N 456.595 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1740954488 NVROAFMDWSPRKP-LJQANCHMSA-N 491.434 2.557 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1740957077 ANEPAZRNCGBIAO-SFHVURJKSA-N 471.359 2.916 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](COC)C1 1740988975 VOIAFORNLQTZFW-SFHVURJKSA-N 455.584 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(F)c(F)c1 1740994032 HJSCBEFZMFVHRZ-UHFFFAOYSA-N 464.542 2.655 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1740994531 SETCCUJGGJDXRD-JOCHJYFZSA-N 485.610 2.725 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1741006122 BXWISXBEEOJTML-KZNAEPCWSA-N 471.693 2.634 30 10 JFEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1741103290 AVNRHRDEDYYPPP-LJQANCHMSA-N 485.470 2.620 30 10 JFEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCS1(=O)=O 1743928980 FVYWTHFGTDMGFU-NRFANRHFSA-N 456.616 2.986 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN(C)C(=O)OC(C)(C)C 1744756039 HRTJTVWTTXYTND-LJQANCHMSA-N 467.574 2.789 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(F)c1 1747193692 HWWSTDMYHVMXTM-QGZVFWFLSA-N 450.522 2.573 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1748635276 QPCIRWBWOFWYTG-DENIHFKCSA-N 450.587 2.818 30 10 JFEE 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CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2289457084 IKXOXMUHRLMMLW-APWZRJJASA-N 462.396 2.839 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H](CCC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2295100923 JNNUABNZGXVAIK-KRWDZBQOSA-N 461.368 2.735 30 10 JFEE CN(C)c1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC=Cc2ccccc2)cc1 2297565125 CXASDMLFFCUZLF-UHFFFAOYSA-N 457.538 2.659 30 10 JFEE COc1ccc([N+](=O)[O-])c(C(=O)NC2(C(=O)C=Cc3ccc(OC)c(OC)c3)CCNCC2)c1 2328355935 WRFMHPIOEHQPOK-UHFFFAOYSA-N 469.494 2.755 30 10 JFEE COc1cc(C=Nn2c(COc3ccccc3)nnc2SCC(N)=O)cc(Br)c1O 2329898752 UVZRKNBWRABISQ-UHFFFAOYSA-N 492.355 2.793 30 10 JFEE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2340772748 CEURJWQOZFIWHW-XLOAEROZSA-N 463.409 2.962 30 10 JFEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2345724926 QKKUSZIPJAYSBQ-CYBMUJFWSA-N 457.302 2.998 30 10 JFEE COc1ccc(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)c1 2359263399 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COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(Cc2ccccc2C#N)c1=O 20152777 HBJHNENMQLXQOW-UHFFFAOYSA-N 468.513 2.798 30 10 JFEE CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)cc1 33781271 YAAINZXLSAAEEQ-QQZPLFJDSA-N 469.479 2.722 30 10 JFEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C(/C)c3ccc(OC)cc3OC)n2)s1 59022771 HLJNVZHWEPNMFX-FBHDLOMBSA-N 462.561 2.803 30 10 JFEE COCCNC(=O)c1c(NC(=O)C2=C/C(=C3/C=C(C)C=C(C)C3=O)NN2)sc2c1CCCC2 136672092 JNBLDIUCKDDSAP-WUKNDPDISA-N 468.579 2.663 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)nc1C 170560862 ARFXDDXLLRUTRI-OAHLLOKOSA-N 495.579 2.603 30 10 JFEE COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(C(C)=O)c2)cc1OC 254872440 OAPVGVTXWYNTFW-YLJYHZDGSA-N 474.560 2.822 30 10 JFEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccc(F)cc3)n[nH]2)cc(OC)c1OC 1083889367 DUONIXBDXWHCRY-UHFFFAOYSA-N 474.518 2.824 30 10 JFEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)cc3)n2)s1 1084543581 HANNRAYWHWARDM-UHFFFAOYSA-N 450.575 2.954 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2nnn(Cc3ccc(OC)cc3)c2C)cc1 1264609337 OSJZOQACOKMGII-UHFFFAOYSA-N 455.540 2.702 30 10 JFEE C#CCN(c1nnc(C2CC2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1286390095 WVDDKHJAOKMSGR-ZDUSSCGKSA-N 455.403 2.655 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1286398747 OFYFQIKLCXLMEK-PWRODBHTSA-N 480.675 2.886 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccc(F)cc1 1286423102 QYGIGNKFYBBAOE-LOSJGSFVSA-N 454.546 2.828 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC1CCCCC1 1286434292 WHOHGGMQFOBFNE-UHFFFAOYSA-N 466.611 2.572 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(F)(F)F)CC1 1286481778 XKZRRUUJCHLGEE-UHFFFAOYSA-N 456.513 2.710 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccccc2)CC1 1286489729 AADKEZQIOZARLL-SANMLTNESA-N 458.566 2.522 30 10 JFEE C=C(Br)Cn1c(N2CCC[C@@H](OCCOC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286547768 JGPYGEXTWFOAPD-XLIONFOSSA-N 473.412 2.859 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1286553835 VUUSCUYRVQITHE-DENIHFKCSA-N 490.626 2.957 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1286560698 HWVMMBWBYXJORX-BVSLBCMMSA-N 457.623 2.597 30 10 JFEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1286583223 IMBJRKBIABWTLS-SFHVURJKSA-N 455.529 2.805 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286587628 OFUJFXMZPXQIHY-LJQANCHMSA-N 474.631 2.514 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1286592562 LGMNZYOZCPRXBX-SJLPKXTDSA-N 468.526 2.936 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 1286770887 YKVMKETXNJUVMH-UHFFFAOYSA-N 467.799 2.805 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286788575 ZCCZUFQBYGOBGO-IEBWSBKVSA-N 476.622 2.556 30 10 JFEE CCOc1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1OC(F)F 1294990735 CXNHHYCGSALXDO-ZDUSSCGKSA-N 453.467 2.542 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1295388043 HQWAHWZKLQVEFI-FQEVSTJZSA-N 459.602 2.587 30 10 JFEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1297963233 BMGNFDYBFGHMOI-UHFFFAOYSA-N 476.560 2.936 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1300305660 YSNFPODCRNNRLU-KRWDZBQOSA-N 456.554 2.642 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1300365503 YECOJQFDZXAOGS-OAHLLOKOSA-N 474.612 2.721 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1300486925 CEVNHFFTVRIPPQ-LJQANCHMSA-N 469.611 2.616 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ccccc1 1300574774 KBTMFUVMFVQGJK-UHFFFAOYSA-N 462.579 2.780 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[S@](=O)C(C)(C)C 1300657257 IVRJBPBINKJNJD-YTTGMZPUSA-N 454.600 2.968 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(OCCC)nc2)CC1 1300691270 RUNBFPBPDFAZCE-UHFFFAOYSA-N 476.581 2.950 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[S@@](=O)C(C)(C)C)CC1 1300697351 BCGZORXBHROUKY-MGBGTMOVSA-N 466.611 2.903 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](OCC)C2CCCC2)CC1 1300719543 GEHFPPZGGZJHMD-QFIPXVFZSA-N 467.618 2.630 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)F)CC1 1300869625 NDXAVYMQDOUVPS-WIYYLYMNSA-N 495.596 2.717 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1300893241 YGHFUGJBIKSJKI-HYBUGGRVSA-N 453.587 2.986 30 10 JFEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301258188 MRFVTBWBTZFVLP-FXAWDEMLSA-N 457.531 2.660 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C 1301367175 KZWXBDMYXAIDQZ-FGZHOGPDSA-N 470.662 2.929 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301490182 MODBPDFMSSOWLQ-UHFFFAOYSA-N 462.957 2.735 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(Cc2ccsc2)CC1 1301514716 MBPDGFOSLIXNBB-UHFFFAOYSA-N 470.574 2.682 30 10 JFEE 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C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCCCC2)c1 1705507906 MLANOMVFLOUOSX-UHFFFAOYSA-N 475.597 2.891 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1705561330 SPDIETWQVOSXOS-MOPGFXCFSA-N 483.569 2.936 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705561839 WRMDPIBMTLJRRZ-WOJBJXKFSA-N 489.617 2.670 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1705567843 AWAGSIPQBHDBJC-HKUYNNGSSA-N 496.618 2.616 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@H]1C1CC1 1705619218 KPWYWANYIJRLPJ-JBUDQFAYSA-N 489.617 2.872 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCS2)n1 1705631490 HGESICSFGUNYMJ-TZIWHRDSSA-N 458.632 2.941 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc3c(c2)OCCCO3)CC1 1705643810 ARVFGQOLWPLRJD-SFHVURJKSA-N 451.571 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)COC)CC1 1705644888 DYPAAFZEPMZDRQ-ZWKOTPCHSA-N 457.550 2.806 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1705648870 BFKNWMNAJNDKGM-DEOSSOPVSA-N 471.609 2.917 30 10 JFEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705751260 FQTCEUNVIQIGOO-GOSISDBHSA-N 450.996 2.923 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705785089 VCEXLQBEFKXQOP-GOSISDBHSA-N 463.579 2.680 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705822559 JEIPLFDLENTQSM-UHFFFAOYSA-N 480.594 2.904 30 10 JFEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705893179 PLYKQYJAGCXQDW-UHFFFAOYSA-N 470.643 2.900 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(C)CN(C)C2=O)C1 1705921167 MVWSUAWHHWFGSW-AOMKIAJQSA-N 490.402 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705931856 CONAXKIWFMNYSC-DLBZAZTESA-N 478.619 2.614 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)C1 1706516574 DWNVYFNXLYNAKP-MSOLQXFVSA-N 462.957 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30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1722466912 IJMDJBMLKHIEPW-QVKFZJNVSA-N 466.007 2.785 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722497225 SVQHBLBHUZRWJK-SVMVAKDDSA-N 490.626 2.957 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1722517785 NTBYPUFIJOCIHA-SJORKVTESA-N 461.579 2.839 30 10 JFEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1722525158 PVYSMBJJZQXCKX-UHFFFAOYSA-N 468.650 2.534 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722531663 WBSSOEQIVXOBPK-PWRODBHTSA-N 460.600 2.660 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1722626464 DYQPZOBDRZCLCL-MSOLQXFVSA-N 462.595 2.610 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(F)(F)F 1722697311 JLXATPVNKCXALY-UHFFFAOYSA-N 463.464 2.537 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 1722704260 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471.505 2.851 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740943751 IYSPTAWEPCHLEG-UHFFFAOYSA-N 461.526 2.750 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1740980077 DURJIMNUXNXZPN-FPOVZHCZSA-N 495.546 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)nnc1C(C)(C)C 1740994082 MGCCVLTUHOSFJV-KRWDZBQOSA-N 453.653 2.555 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1741005788 RIYUNOZRDYYKMP-FQEVSTJZSA-N 456.620 2.853 30 10 JFEE CCCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ccccc2C#N)CC1 1745795254 GCSZNCFJAHMUJA-UHFFFAOYSA-N 458.570 2.763 30 10 JFEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CC1)S(C)(=O)=O 1746004531 FUYZQSKYQJWBKI-UHFFFAOYSA-N 499.685 2.941 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NC(C)C)c1 1748698472 WEQJVJIHRBNGPJ-NFBKMPQASA-N 480.613 2.778 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1748731069 ZZPGFPJQDFUMIV-LJQANCHMSA-N 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473.666 2.533 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1507686545 BCHDEOBXSOOQTF-UHFFFAOYSA-N 477.613 2.808 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1507720855 XKAYGUHOUZOGQU-BKMJKUGQSA-N 467.614 2.850 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)C(=O)NC)CC1 1507721606 WXGWZRXEQKTNHG-QGZVFWFLSA-N 454.644 2.659 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCSC)CC1 1507732675 JHQPTSXVPOWIFQ-KDURUIRLSA-N 462.664 2.947 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CCC(C)C)CC1 1507737682 BXQFBBBMUMGNKT-YIXXDRMTSA-N 495.624 2.944 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCOC[C@H]2C)CC1 1507741450 SXSWJSDRBCQCBP-TZIWHRDSSA-N 481.597 2.504 30 10 JFEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507779312 AGDKVTWFMMCSHY-UHFFFAOYSA-N 493.369 2.546 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507805804 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C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1540077929 VISKSXYQEXSPFH-GOSISDBHSA-N 462.595 2.515 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540899658 WVJSWMZJVKRYRK-CVEARBPZSA-N 480.612 2.550 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540900512 YBUNCOGNEPMMJI-CVEARBPZSA-N 453.012 2.513 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540901193 WDLMCJRWCGWDTG-GOSISDBHSA-N 490.630 2.777 30 10 JFEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1541743062 FXDQBKOORUNBQU-UHFFFAOYSA-N 454.575 2.895 30 10 JFEE CC(=O)N1CCN(c2ccccc2CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1544869568 AHJVHLQRNWPERM-FQEVSTJZSA-N 457.575 2.558 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548396145 KLVZOOTYTDUMOB-RBUKOAKNSA-N 486.498 2.718 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CC1 1554565064 ADPCJYYMUKFLIA-LJQANCHMSA-N 456.572 2.903 30 10 JFEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1554593417 BZNRFLZHARNLDX-APWZRJJASA-N 456.547 2.582 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1588049771 LFBXFQADCPXNEO-IBGZPJMESA-N 468.627 2.785 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1588064243 DPJJWGHPBLZXBP-IBGZPJMESA-N 485.997 2.601 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1ccnc1C 1588218908 HRXFXOZWKKEQIC-UHFFFAOYSA-N 468.565 2.733 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCN1CCN(c2ccccc2)CC1 1588241094 KHQNAYIENJDOTI-UHFFFAOYSA-N 467.621 2.939 30 10 JFEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCC(F)(F)F 1588245992 YCNWXJIGHIQUAJ-UHFFFAOYSA-N 459.472 2.853 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1589116942 PRMXRGVBTYAEKA-UHFFFAOYSA-N 489.605 2.825 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1589482843 MHMVYYMEBQQUAL-HOTGVXAUSA-N 485.427 2.541 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cn2ccsc2n1 1594961565 CGZAEWCXCVBKAM-INIZCTEOSA-N 459.576 2.966 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1595219494 VBXIJUGLTUKOOW-SFTDATJTSA-N 490.649 2.733 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595594122 KKARIZCCZHSHMB-XLIONFOSSA-N 491.061 2.683 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(O)cc2)C1 1595745951 ZGLPMYVJAKMCEB-IBGZPJMESA-N 453.568 2.999 30 10 JFEE C=CCN(C(=O)c1cc(Br)c(O)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1597171407 YCCLKQKBQCDEOR-SNVBAGLBSA-N 453.152 2.733 30 10 JFEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1607172677 DVLZPZPGPKMQQP-OFNKIYASSA-N 468.602 2.819 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1 1617267229 CDAQWRZRYCRSAG-OPAMFIHVSA-N 457.556 2.577 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 1617743979 DBDQJSNGHQRKHV-OAHLLOKOSA-N 456.296 2.944 30 10 JFEE 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483.617 2.945 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690278748 PHOHFCZDCRUVAG-UHFFFAOYSA-N 473.521 2.665 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690305616 DUBKTNHUBBGOBV-LJQANCHMSA-N 455.559 2.804 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690306250 QEDITWLTIBGOLW-QGZVFWFLSA-N 479.976 2.963 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1690485028 JVCXCLYGUFHQPN-IBGZPJMESA-N 463.648 2.812 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ncn(C)n1 1690613301 CCXXTHYLOWUZDI-UHFFFAOYSA-N 462.352 2.532 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1690659036 IDIRXUNIRFQNET-INIZCTEOSA-N 481.944 2.539 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690660553 KBCLHTOOQFSZDF-PKTZIBPZSA-N 477.613 2.841 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1690675709 CHGYCVOLYQWBKE-NHCUHLMSSA-N 464.570 2.674 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 1690676416 ZGPGRMDDNJVJTQ-UHFFFAOYSA-N 457.332 2.520 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCOC2=O)C1 1690685157 WTXPKXMPSKKERD-FQEVSTJZSA-N 468.558 2.771 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCCO1 1690717660 MTDQZQKUMVRZDE-HNNXBMFYSA-N 472.409 2.642 30 10 JFEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1695943889 GZTPWOVZLWJWQA-QHCPKHFHSA-N 494.644 2.701 30 10 JFEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1697414878 HQEPZYIOTDVTIE-DEOSSOPVSA-N 452.559 2.904 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2cnccc2OC)c1 1705505779 SQEWWZVOQCHZPM-UHFFFAOYSA-N 455.522 2.792 30 10 JFEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705510739 XPBIBAJDVSKCGD-GOSISDBHSA-N 499.015 2.802 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705563663 BUGMNDOJXHNHGA-RBUKOAKNSA-N 493.029 2.811 30 10 JFEE 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CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2282572800 QCDJPBDJQIHHKZ-QHCPKHFHSA-N 464.416 2.793 30 10 JFEE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282574368 NUMZIMOQGFXBPD-QHCPKHFHSA-N 462.400 2.629 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CCC2 2282580011 NCBMLTYKDGAUIA-ZBFHGGJFSA-N 460.384 2.522 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2282584844 HDTCSYPBAJAQKG-UHFFFAOYSA-N 480.436 2.848 30 10 JFEE CC1(C)OB(c2cc(C(=O)N3CCO[C@@H]4CCN(Cc5ccccc5)C[C@@H]43)ns2)OC1(C)C 2282602480 SSUBRIWQXQUPHY-VQTJNVASSA-N 469.416 2.558 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282673147 RJVOIOCEGLSADD-SJORKVTESA-N 460.384 2.732 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282861231 LPZKMEOBRAJAMT-HNNXBMFYSA-N 494.341 2.720 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 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2.979 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286562896 HNYYDCJMNWZICV-DYXWJJEUSA-N 451.637 2.510 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286588020 YCTJROISBOPUTP-IUKKYPGJSA-N 475.615 2.544 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1286627261 BSCSAIOZXSWLLP-KRWDZBQOSA-N 465.385 2.836 30 10 JFEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286687303 HYGGLUWPUSFJGD-HXUWFJFHSA-N 461.588 2.665 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCOCC1 1286738834 FSTGDUHYEKZGQL-UHFFFAOYSA-N 462.554 2.823 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccco1 1286740453 MZBUXTJHKXYWRU-YADARESESA-N 451.527 2.931 30 10 JFEE C=CCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777565 GPCCCGVKVSWNNO-CALCHBBNSA-N 459.595 2.619 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(=O)CCC)CC1 1286780238 RTZPXAQFSGMTLR-UHFFFAOYSA-N 489.418 2.895 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1286790721 JTFYUZOUHIDCIB-JQVVWYNYSA-N 496.612 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1286818577 YNPUTLPCHWTQPG-IXDOHACOSA-N 452.552 2.772 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286818966 VDELNFCJOQKBQH-UHFFFAOYSA-N 466.611 2.884 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1286832694 XQGJRNJUNZXBIQ-IEBWSBKVSA-N 466.604 2.816 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1ccco1)N(C)C 1286959808 AXWARJAWLILYSQ-YLJYHZDGSA-N 485.614 2.687 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1)S(C)(=O)=O 1286977202 HDAPUAJGCURNDZ-MSOLQXFVSA-N 458.632 2.949 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1287047243 CSHQBMQWUFHGPV-TZIWHRDSSA-N 465.602 2.998 30 10 JFEE CC(C)NC(=O)CCn1c(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nnc1C(C)(C)C 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C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2nncn2C)c1 1443665618 QJRVDLKUNNYCMT-UHFFFAOYSA-N 459.959 2.822 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc(Br)cc3nc(O)[nH]c23)C1 1466736279 IAQCHLIQMHJIRO-RNCFNFMXSA-N 450.293 2.520 30 10 JFEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)C(C)C 1472998676 LNVUXNGRVKKQNA-YLJYHZDGSA-N 457.600 2.884 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccccc1 1497036679 FGTYQFUFOYTLQO-UHFFFAOYSA-N 458.570 2.838 30 10 JFEE CCCC(O)(CCC)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1500162697 HAFJHSHBYUGLIC-FQEVSTJZSA-N 489.628 2.972 30 10 JFEE CCN1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1502290047 AJMNINZTNKAKOW-OAQYLSRUSA-N 494.644 2.843 30 10 JFEE CCS(=O)(=O)NCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H](C)C#N 1503280006 GBABMOYQQJJFDZ-LBPRGKRZSA-N 489.827 2.896 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)OC)c1 1507550447 LDXPGEWQUKIHDI-IBGZPJMESA-N 488.596 2.543 30 10 JFEE 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C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507951458 FUSJFSSKGOPGIJ-UHFFFAOYSA-N 451.618 2.639 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)C[C@H](C)C2)cc1 1508101022 SLOMCFFYMJVGKM-IPJJNNNSSA-N 489.642 2.706 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508136957 JHMULLLBWGAEFW-OAHLLOKOSA-N 475.512 2.758 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1508150960 SSMBQIIOAFFUNJ-CALCHBBNSA-N 465.645 2.728 30 10 JFEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)N1CCCC1 1508871511 DGUMTNDCIOQJRD-JTHBVZDNSA-N 479.629 2.941 30 10 JFEE CC(C)n1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)c2ccccc2c1=O 1509577455 CFWTXMMXRDFMLY-RUZDIDTESA-N 494.575 2.840 30 10 JFEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1519151125 DVRZJOIXEUXDCK-LJQANCHMSA-N 469.567 2.806 30 10 JFEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Br)cc2)CCO1 1521121155 HTWVECAETQYWMJ-QGZVFWFLSA-N 482.342 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JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)(C#N)CC1 1539517261 KWKFUPQIBIBHHJ-UHFFFAOYSA-N 450.616 2.949 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](COC)C1 1539622371 WSMYVVLNQFNHGV-IEZWGBDMSA-N 480.407 2.879 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539773383 XALIDMNBKPAAOM-UHFFFAOYSA-N 450.931 2.895 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1540037014 ZIABZTXHWPQWFR-YADHBBJMSA-N 474.627 2.913 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1540881387 HSYHOJICQJXIQD-LJQANCHMSA-N 484.567 2.960 30 10 JFEE CC(C)(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCN(c2ccncc2)CC1 1541175084 FECIBXOGMBAFPJ-XMMPIXPASA-N 454.598 2.916 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC[S@](=O)C(C)(C)C 1541670755 CNCAJKMYPRMBRU-DHUJRADRSA-N 499.685 2.547 30 10 JFEE C#CCN(C(=O)CCCCCCS(N)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1543686146 UYPAFYBKPJYPFL-QGZVFWFLSA-N 457.390 2.974 30 10 JFEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1543792921 WAQLRYINSNGUTN-UHFFFAOYSA-N 455.580 2.758 30 10 JFEE COC[C@@H]1CN(C(=O)c2ccc(OC)nc2OC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548402583 LQRIQSHOZDDBEV-INIZCTEOSA-N 464.444 2.967 30 10 JFEE C#CCN(C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1564356868 CXOZBWSLXNRTDD-IBGZPJMESA-N 455.621 2.778 30 10 JFEE C#CCN1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)CC1 1565815101 VXKPQQQUQHJBBT-UHFFFAOYSA-N 453.402 2.703 30 10 JFEE C#CC[C@]1(C(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1583209741 MMZBZUKCZNMDCJ-NBGIEHNGSA-N 456.587 2.936 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn2ccccc2n1 1587640111 OVVDWNIZPNEOPR-ICSRJNTNSA-N 479.585 2.935 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587673610 QRZQQMBSCXCXHZ-RTBURBONSA-N 476.585 2.824 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCCC)c1 1587693719 WLHBYHQTRGAUIV-GOTSBHOMSA-N 491.640 2.940 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1588064502 JDJBVWHTUZAUHD-UNMCSNQZSA-N 479.606 2.667 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1588064733 OCFLCEXWHCZTMO-HSZRJFAPSA-N 463.607 2.696 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588069197 JITXRCGAKJTASI-IFMALSPDSA-N 497.621 2.688 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588069231 JTBJMKOVQFPSCD-PKTZIBPZSA-N 469.655 2.564 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588069524 PSXGEJKDSSYOIH-HXUWFJFHSA-N 490.601 2.830 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1588159480 XGVLSQJXVQHSAJ-RUZDIDTESA-N 471.609 2.594 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1588761975 DCMLHRKGAVHIQF-GMAHTHKFSA-N 499.681 2.945 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1588811988 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QAGMTGWWZSSNJU-UHFFFAOYSA-N 471.565 2.610 30 10 JFEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1595418129 AXLULPQQXXKVKC-OYRHEFFESA-N 466.630 2.690 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1595476199 IXJUVRFYVDSBRS-LVXARBLLSA-N 466.630 2.965 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCSC2)C1 1595766531 RNGUNRNFURLLBH-HXUWFJFHSA-N 463.585 2.788 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1595773193 TWKSNAYCVRHAHU-UHFFFAOYSA-N 497.650 2.505 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1595824218 YXJAWHUOEROQLJ-GOSISDBHSA-N 493.586 2.631 30 10 JFEE CC(C)(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1596951306 HGVVBTVBQNIHMT-UHFFFAOYSA-N 458.570 2.701 30 10 JFEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1612861895 GIEOLUKOJJIYGJ-UHFFFAOYSA-N 451.619 2.991 30 10 JFEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCCC2)CC1 1615413634 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CTXXSOPXEIRZFK-FQEVSTJZSA-N 457.582 2.969 30 10 JFEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1687720379 CBBAPLHPOJQFCM-IEBWSBKVSA-N 463.966 2.678 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689979531 CRZLRTDSFRIOQV-UZKOGDIHSA-N 473.643 2.730 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689984610 RHQUVNCADFXZPS-LJQANCHMSA-N 463.003 2.920 30 10 JFEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1689991260 YZZFWRBRZRFHOU-GHTZIAJQSA-N 458.584 2.854 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689997138 WMXHVJDWYQHHFG-HXUWFJFHSA-N 470.595 2.993 30 10 JFEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690081435 JWUQARRXBUVUAO-UHFFFAOYSA-N 469.586 2.825 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1690093910 NVLLQZXWOVNGBQ-CJFMBICVSA-N 491.633 2.804 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1CCS(=O)(=O)CC1 1690097647 LXDZTSKCEVKIMF-UHFFFAOYSA-N 499.406 2.758 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(CC)CC)nc2)CC1 1690142103 IJJBQITVQHDTNJ-UHFFFAOYSA-N 460.586 2.529 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1690144357 WDLXHNPAEXAUDO-UHFFFAOYSA-N 451.571 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC[C@H]2CCCCO2)CC1 1690152461 MCUOFCLJGWUAQG-OAQYLSRUSA-N 481.597 2.791 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1690309793 KRURFSGLWPQBMP-HXUWFJFHSA-N 467.574 2.612 30 10 JFEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690351045 GMQHJPKGCKQSID-UHFFFAOYSA-N 467.961 2.739 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1690718014 YEWNAHJXEMZNHV-HXUWFJFHSA-N 484.626 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCS[C@H](C)[C@H]1C 1690725686 YSQHYDPNCBUSDW-IAGOWNOFSA-N 450.630 2.809 30 10 JFEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cs1 1697828795 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GQWOVRAAVVBQBO-GJZUVCINSA-N 492.580 2.871 30 10 JFEE C=CCn1c(SCC(=O)NC[C@H]2CCCCN2CCO)nnc1-c1ccc(Cl)cc1 1624698078 OWFXHOHXCFLXBJ-GOSISDBHSA-N 450.008 2.840 30 10 JFEE C=CCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OCC 1627751996 KPZFSKSSWZIGCD-SFHVURJKSA-N 452.573 2.888 30 10 JFEE C#C[C@H](NC(=O)N[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1)[C@H]1CCCO1 1632530109 URTWNMAFIMSRBY-BHDDXSALSA-N 455.580 2.803 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)=NO2)C1 1635916854 DNHCSCDFWCIDCC-HSZRJFAPSA-N 450.499 2.720 30 10 JFEE C=CCn1c(SCC(=O)N2CC[C@H](NC(N)=O)C2)nnc1-c1ccc(Cl)cc1Cl 1637745748 NWIHWSXFHRHKER-LBPRGKRZSA-N 455.371 2.799 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1649539448 NFLHKSBDWLWYMD-RHSMWYFYSA-N 466.405 2.590 30 10 JFEE CC(C)(C)OC(=O)N1CC(N2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)C1 1653245851 BRCHOUXYECMXCL-UHFFFAOYSA-N 451.575 2.596 30 10 JFEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC 1653921697 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VWWPDWWIPAOWHR-HSZRJFAPSA-N 459.616 2.696 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1690569792 MPIDSWKGRXPVBI-LJQANCHMSA-N 463.579 2.539 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC1CCCCC1 1690586699 SLEHRDVZZGZGNV-UHFFFAOYSA-N 457.600 2.976 30 10 JFEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1690599430 YTUOMHRAJFWGCX-LJQANCHMSA-N 454.600 2.953 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1690632882 WAFSHHLEZYGADI-KRWDZBQOSA-N 458.544 2.619 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CNC(C)=O)CC1 1690660942 RHYIVSMLTQZAMS-LJQANCHMSA-N 468.602 2.690 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690726579 FFLHRLJXKIVFKN-VQTJNVASSA-N 470.643 2.801 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(=O)NC)C1 1690735855 KSSJVQAGQGAYCM-AWEZNQCLSA-N 467.437 2.928 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC(C)(C)O1 1693828805 HQZRMOXGYNXLLF-IBGZPJMESA-N 468.602 2.843 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2scnc2C)C1 1697061426 CLXKISQLCDXSDJ-QGZVFWFLSA-N 452.540 2.736 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1705627936 SLHQYUOKBPHDSE-DYESRHJHSA-N 452.477 2.708 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(=O)NC(C)C)CC1 1705633024 HNHSERFOBKESQQ-GOSISDBHSA-N 458.994 2.741 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705635470 ZLIQPMXLUYRDFB-LOSJGSFVSA-N 464.658 2.932 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cc(OC)ccc2OC)CC1 1705647089 AAPWONDGEJTEAC-UHFFFAOYSA-N 451.571 2.967 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC)c2)CC1 1705649901 HXAJXGYQQXGNPC-UHFFFAOYSA-N 458.566 2.677 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705652151 QZEMQDVLSSIKTN-UHFFFAOYSA-N 482.654 2.834 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705684645 YADGIZDGWKHXOS-HNNXBMFYSA-N 470.349 2.775 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCC)CC1 1705704924 APGQZJKTZPGWFL-NFBKMPQASA-N 452.603 2.988 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705937623 ZHLHQUDXVUGZDH-UHFFFAOYSA-N 498.556 2.903 30 10 JFEE CC(C)N1CCC(O)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1706567849 GUMBKDLLNGDGMX-UHFFFAOYSA-N 480.661 2.695 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722311868 MEEIMVACHWQDDJ-LJQANCHMSA-N 450.587 2.546 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722330373 SIRZYIDROYOROH-HXUWFJFHSA-N 450.543 2.786 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722358710 LCQVTWOLABWXAB-QGZVFWFLSA-N 452.527 2.872 30 10 JFEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1722364533 LIMGWNIDOUSHEG-WHLIWEHUSA-N 478.659 2.772 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1722371723 LBPQVMYUOJWALE-QFIPXVFZSA-N 479.606 2.738 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)nc1 1722381528 RIYKAGORZPMTRA-OAQYLSRUSA-N 477.613 2.975 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722418727 AHOFTMVEMABGCN-BKMJKUGQSA-N 481.597 2.961 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1C 1722428086 BVPYGBZYPGXQTR-IBGZPJMESA-N 471.606 2.569 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2ncc(C)s2)CC1 1722430545 FAGIBGMHTBZXTC-JPYJTQIMSA-N 458.632 2.643 30 10 JFEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1722438107 SYMRLZPGWSFEST-HSZRJFAPSA-N 450.631 2.695 30 10 JFEE C#CCSCCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1722463970 QYJIRPCSKKLKEB-LJQANCHMSA-N 460.522 2.644 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722506933 GZZZMSFFWJWOFV-DXIQSLLYSA-N 455.607 2.855 30 10 JFEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722534786 WGAGSQXCOXMTHN-UHFFFAOYSA-N 496.637 2.676 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 1722536794 HOQGEOYCXXANOT-IRLDBZIGSA-N 489.642 2.506 30 10 JFEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccccc1 1722540102 BCYJSYXPYLDLQF-FQEVSTJZSA-N 452.559 2.857 30 10 JFEE C=CC[C@H](Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1722598028 YUDKXRYFOGHBMZ-QPPBQGQZSA-N 474.627 2.913 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1722616821 DAFXMXWQFMSTOE-RTWAWAEBSA-N 475.615 2.625 30 10 JFEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722632552 YHDVOWJMCGAEJQ-UHFFFAOYSA-N 459.547 2.878 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CCCNC(C)=O 1722660076 LGZNVCJLQOWZQT-UHFFFAOYSA-N 454.506 2.864 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1722671793 CDGLZHUQQDRUPC-VQIMIIECSA-N 465.570 2.940 30 10 JFEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(NC(=O)OC)c1 1722679605 GWKCCMIGBULNJW-UHFFFAOYSA-N 468.514 2.871 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722696339 JJZNVOWYJUGITB-MRXNPFEDSA-N 489.418 2.752 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1722705483 ZHSCJXLXBIKJJW-FQEVSTJZSA-N 455.584 2.923 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C(C)(C)C)n2)C1 1722719420 UAQPUWHXYKSVFW-FUHWJXTLSA-N 479.672 2.958 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)C2(OC)CCOCC2)C1 1722720149 HHPRIKDUBPJWKW-IBGZPJMESA-N 480.560 2.752 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1722730525 VMXTZXXZWHMRSR-QFIPXVFZSA-N 462.641 2.834 30 10 JFEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723023908 HRGFPTHAOHKQFM-DUTUXMCTSA-N 471.631 2.660 30 10 JFEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1(C)C 1728919385 GEJSHNMEQUDTLD-YZGWKJHDSA-N 457.600 2.891 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(N2CCOCC2)c1 1740681860 XBHKOIVCLWFODH-UHFFFAOYSA-N 466.973 2.964 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1740694014 VKHJYKJREIIFPX-SFTDATJTSA-N 466.630 2.597 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN2CCSCC2)CC1 1740699042 YYMARZUNCCLNMT-UHFFFAOYSA-N 481.489 2.573 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1740699908 YMJMPYZMAGESAT-UHFFFAOYSA-N 485.514 2.972 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccccc2C)CC1 1740705706 LECPZYPATLLFKW-PZJWPPBQSA-N 451.571 2.524 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1740736342 QZKUDEYPFJNLHZ-ROYUMMMZSA-N 459.635 2.882 30 10 JFEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740790149 PTSQIEFWULSSOI-UHFFFAOYSA-N 470.599 2.558 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCc2nc(C)cs2)CC1 1740839033 FJHGLWQAKUXPHT-IBGZPJMESA-N 494.687 2.801 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1740868922 WJDVZAIDAHUVMR-GOSISDBHSA-N 494.625 2.601 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C)C1CC1 1740910242 LTBSNLLVJWBYLS-LJQANCHMSA-N 457.579 2.832 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740951792 NUTDBDJQWIJKTA-LPHOPBHVSA-N 499.547 2.944 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NC2CCCCC2)C1 1740973302 VAMUABYEGRENQG-RDPSFJRHSA-N 461.607 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740994615 QEFADOATRDIXQQ-UHFFFAOYSA-N 485.654 2.964 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1741001972 FIDBINSGJFGMAJ-OAQYLSRUSA-N 450.605 2.942 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C 1741674476 DIXNHMODZHPKMD-PZJWPPBQSA-N 480.617 2.605 30 10 JFEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1741686414 DFAUTZFGIPYKKZ-UHFFFAOYSA-N 463.586 2.713 30 10 JFEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CCOC1 1746653779 AITVSUJAEGKQIX-BJKOFHAPSA-N 451.527 2.939 30 10 JFEE CO[C@H](C)c1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1748372892 DPIJCGPMMZSTJO-ZUOKHONESA-N 456.507 2.580 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC[C@H]2C)c1 1748692866 QOKPCNKGSWVOCN-HMXCVIKNSA-N 451.571 2.901 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1748784265 HMMVRGMFPGCEFT-FQEVSTJZSA-N 477.613 2.662 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1748808923 OIZCWEAIHBZFHY-MRXNPFEDSA-N 458.918 2.855 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 1748811830 MGLWHJABJUEDMF-NRFANRHFSA-N 465.579 2.802 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748812199 RXDPEDZVGMGKFI-LJQANCHMSA-N 468.627 2.783 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn(C)nc1-c1ccccc1 1748875922 ZIFKLQACTCCLBN-UHFFFAOYSA-N 464.533 2.837 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNC(=O)c1occc1C 1748889273 HNWJCEMKRKIOPV-UHFFFAOYSA-N 473.533 2.901 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCCC 1748944672 BFEYZANWQWOAOG-UHFFFAOYSA-N 466.517 2.701 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)O)n1 1748970774 RMYISKOGHYKBOD-UHFFFAOYSA-N 487.402 2.961 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(OC)CCCC2)CC1 1749016076 YWIQRFAYJZSXCB-UHFFFAOYSA-N 465.598 2.825 30 10 JFEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749028699 GYUNYFQTNPPOJN-GHTZIAJQSA-N 466.611 2.551 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1749109383 KAROVBHKLNJFEJ-UHFFFAOYSA-N 481.345 2.914 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[C@]2(CCOC2)O1 1749529261 ANMLRJPAOGASKB-PXDATVDWSA-N 464.570 2.819 30 10 JFEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749617838 SXSBSZAECHRJFC-UHFFFAOYSA-N 458.010 2.950 30 10 JFEE 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451.531 2.570 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301577397 IWWTUFHUOLWAPZ-HXUWFJFHSA-N 484.626 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301586557 NUZIMTCFAWMMNY-GOSISDBHSA-N 472.533 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301588410 YSVLYTWVMSZIMN-UHFFFAOYSA-N 494.061 2.818 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)[C@@H](C)C1=O 1303182549 BEDLUXKZTHSZQM-SFHVURJKSA-N 465.602 2.815 30 10 JFEE Cn1c(SCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)nnc1-c1ccccn1 1307313954 DZTNCESRUCIORQ-LJQANCHMSA-N 451.531 2.517 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(C(C)C)cc2Br)c1 1351602329 SVEOELOUWZBTPH-UHFFFAOYSA-N 459.344 2.713 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1358890705 UGZONSWDWXDISP-ZIFCJYIRSA-N 460.600 2.534 30 10 JFEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1358928889 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1301473643 GLXHIASRFHIAMB-VWLOTQADSA-N 453.587 2.957 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC(=O)NC)CC1 1301482606 XNYNAJKZGBMVQX-INIZCTEOSA-N 474.993 2.726 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)(C)C)CC1 1301491072 CTLOMYWIFXLVPV-UHFFFAOYSA-N 461.408 2.930 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)CC)C1 1301555727 DBGSAVYHUSNPAI-MOPGFXCFSA-N 497.662 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1301575146 CDYSAEHWJMEWSI-AEFFLSMTSA-N 476.599 2.951 30 10 JFEE CC(=O)Nc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1301776616 GYOCXYZDNCQBEP-FQEVSTJZSA-N 470.599 2.511 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1303635125 ACWHNBILZKNUCP-SQNIBIBYSA-N 480.635 2.566 30 10 JFEE Cc1nsc(N2CCN(S(=O)(=O)Cc3ccc(Br)c(F)c3)CC2)c1C#N 1309545638 BUWKSYFPGYNRMZ-UHFFFAOYSA-N 459.366 2.877 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)cs2)CC1)S(C)(=O)=O 1313621338 GENIAABPGYLSHH-UHFFFAOYSA-N 485.639 2.880 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1313964750 FUKURWHBMFEEEQ-UHFFFAOYSA-N 460.542 2.596 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1358889754 GBFFUHHYPDIDIQ-CJAUYULYSA-N 463.561 2.957 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(NC(C)=O)nc1 1358900486 LSILUMCLFORPJO-LZQZEXGQSA-N 467.574 2.908 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1358903310 RZJINIDDKYDFIY-QHCPKHFHSA-N 464.614 2.644 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CCC)C(=O)OC(C)(C)C 1358946396 TXGQUJZHOOVSJB-UHFFFAOYSA-N 479.585 2.909 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 1358963091 BOJNSTBALCJCMS-IAGOWNOFSA-N 461.657 2.733 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(OC)OC)c1 1358978432 MRFWPEMQYATYEO-UHFFFAOYSA-N 485.592 2.865 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC1CCCC1 1358978899 XQVWQQBGTYLJPL-HXUWFJFHSA-N 452.580 2.623 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358980343 RUMYRPVGVSARHR-HXUWFJFHSA-N 458.545 2.582 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC2(C1)OCCO2 1358987457 HJCDPOWTPAUVLB-IBGZPJMESA-N 480.565 2.977 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc2c1OCO2 1359018835 DIYQCARIQPDAOQ-UHFFFAOYSA-N 472.343 2.909 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cccnc2OC)CC1 1359030335 TXQFOWCTSNMWDV-SFHVURJKSA-N 450.518 2.764 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSC(C)C)CC1 1359043457 USRWYVILKWJIQC-UHFFFAOYSA-N 455.584 2.781 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@H]1C 1359066373 YROXLWDCVMYSLY-QFWMQHCXSA-N 471.627 2.739 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1359083450 KABXHCSTHWJUNB-LBPRGKRZSA-N 460.785 2.774 30 10 JFEE C=C(Br)Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359088521 MTHJTSGVHFYXSV-NRFANRHFSA-N 484.439 2.968 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1359109476 CQGHIZFSSJHQDF-UHFFFAOYSA-N 465.645 2.735 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1359122528 ZQOJXXZPCPCXOR-SFHVURJKSA-N 462.595 2.611 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(O)(CC)CC 1359257006 XATTVPDEJAMHHZ-HXUWFJFHSA-N 457.600 2.796 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359294852 HDKBTFWWLGBEOY-HXUWFJFHSA-N 451.527 2.953 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359302047 VPACENRMOYFDQG-HXUWFJFHSA-N 468.993 2.874 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccsc2)C1 1359312167 OZHMSPKNBVIJMQ-JTSKRJEESA-N 454.556 2.676 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359338020 JHHSYYNTTKKTKT-OALUTQOASA-N 475.640 2.515 30 10 JFEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359338354 STYYRENMCNQZEL-WMZHIEFXSA-N 484.670 2.862 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359346192 DUAQOKIZUOSFLG-HDICACEKSA-N 493.678 2.820 30 10 JFEE C#CCN(C(=O)CNC(=O)Cc1ccc(O)cc1)[C@@H]1CCOc2ccc(Br)cc21 1444125374 UEQRACQXAKGNCZ-LJQANCHMSA-N 457.324 2.799 30 10 JFEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)s1 1445859473 CDNWLDURAJCEEE-GOSISDBHSA-N 455.565 2.788 30 10 JFEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(Br)ccc2OCCOC)n1 1463632394 JPQIBBIWKWLPJI-UHFFFAOYSA-N 456.362 2.515 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1492722389 APPNGIQQBPKVNY-QFIPXVFZSA-N 479.585 2.758 30 10 JFEE CCCN1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1501043890 HXVOHQTYRPSWNP-CVDCTZTESA-N 489.621 2.512 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C2CC2)c1 1504139064 BKQMYXAFLBFHSU-YWZLYKJASA-N 462.348 2.606 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1507549828 QCMLTAJUYRPMLL-FQEVSTJZSA-N 459.554 2.588 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1507567649 NUYCXFOVOOYESN-HXUWFJFHSA-N 489.617 2.776 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507625129 GUFXFNMCYDXVGP-LJQANCHMSA-N 462.641 2.970 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507629799 WJJSFPSFLRQMMC-LJQANCHMSA-N 467.551 2.502 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507637442 AWVQJWFHMCMUFH-FQEVSTJZSA-N 474.627 2.861 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1ccccc1F 1507671766 PCLWYQWWEHSDBG-UHFFFAOYSA-N 450.543 2.666 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)C(C)(C)C 1507678019 PJSMNAJAFSRDQT-UHFFFAOYSA-N 466.007 2.534 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507707225 UQFQDXQDLPXMMN-QGZVFWFLSA-N 451.493 2.924 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(=O)NC(C)(C)C)CC1 1507719906 BXGWDNQCYWLKLO-UHFFFAOYSA-N 491.409 2.907 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507780657 DIJVAMIMZGYRSU-KRWDZBQOSA-N 469.405 2.884 30 10 JFEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507784285 HWDSMHQRZIKANK-JXFKEZNVSA-N 462.348 2.662 30 10 JFEE C=C(Br)Cn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1507792433 HNKFERXSCVSHCJ-BEFAXECRSA-N 451.369 2.566 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1507915382 BXFHHTPWTSYMRO-UXHICEINSA-N 475.663 2.907 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 1507917073 YBSVADVGXGYOGO-QGZVFWFLSA-N 482.676 2.869 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Cl)cn1)C1CC1 1507988801 RVGKJDRJSLUZFJ-UHFFFAOYSA-N 476.006 2.900 30 10 JFEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 1508272301 GSNVEGNCWMIKPW-HSZRJFAPSA-N 465.602 2.518 30 10 JFEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@H](C(F)(F)F)O1 1512405419 FDGRGRSBPOCBDI-GPMSIDNRSA-N 464.492 2.693 30 10 JFEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 1519626394 HQRWFAGJKVOULL-HKBQPEDESA-N 453.490 2.621 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccs2)c1 1539045708 IKLLZAPBPPADFA-LJQANCHMSA-N 478.578 2.677 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C(C)(C)C)no1 1539180150 XAFGBYQPCVZBBB-KRWDZBQOSA-N 458.563 2.990 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539206610 SGVODBCLPBLCGB-LJQANCHMSA-N 493.580 2.659 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539211231 JJPWSZPXOYTRBO-LJQANCHMSA-N 496.980 2.571 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21 1539266787 SHJPIFVENARPHZ-RTWAWAEBSA-N 493.612 2.742 30 10 JFEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539524371 APMBAICLLJJYTH-UHFFFAOYSA-N 494.709 2.954 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nc(CC)ns2)CC1 1539580387 XSLFMULLKYJHBS-CQSZACIVSA-N 486.440 2.651 30 10 JFEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1539744413 KWBXTTVRZPUAEE-UHFFFAOYSA-N 453.547 2.538 30 10 JFEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCOC)CC1 1539804268 UKVVZSZEBWRBFN-LJQANCHMSA-N 461.950 2.522 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2OCCC2(C)C)C1 1540885167 CSUCHLZUPQQIFS-ICSRJNTNSA-N 460.600 2.945 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCS2(=O)=O)C1 1540892822 RQRAKTGZWLBVOX-DLBZAZTESA-N 466.554 2.896 30 10 JFEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1541707817 DDIXMTDQSWLHRX-UHFFFAOYSA-N 456.616 2.751 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)OCCc2sccc21 1541934545 ALRZJFHBRZWHHU-JHVJFLLYSA-N 478.644 2.568 30 10 JFEE CCN(CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1547480193 AHEAGWDHMVPHFA-WIYYLYMNSA-N 458.632 2.809 30 10 JFEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C 1547582597 GQIKAORXFRWGBC-OAQYLSRUSA-N 458.632 2.951 30 10 JFEE CCOCC(=O)N1CCC2(CC1)C[C@@H](C(=O)NC)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548380526 YWJMLELLTDMNTE-SFHVURJKSA-N 452.477 2.547 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587677963 NNPYDPYSKAMRCM-GUDVDZBRSA-N 470.618 2.909 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(CC(F)(F)F)C1 1588093169 DLQQOSBIZWPRRZ-AWEZNQCLSA-N 469.309 2.993 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCCCC1=O 1588186072 RFMMELSCUCIPCZ-VWLOTQADSA-N 455.603 2.574 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(OC)c(Br)c1 1588628066 DMWAISPUVVMOSY-UHFFFAOYSA-N 473.375 2.778 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCO2)CC1 1588961621 GOFRBFYCDRIOFA-NRFANRHFSA-N 451.571 2.619 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1588962287 YXUVDLICWYXHLW-JTHBVZDNSA-N 479.625 2.991 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(CCO)Cc1ccccc1OC 1589382249 LFLVJKZRJQWIET-UHFFFAOYSA-N 490.358 2.922 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(N)=O)CC1 1589515556 OXYRBMSEYBFDBN-DYESRHJHSA-N 455.559 2.645 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)CC1 1589578075 FOXPLGNALQMPPF-YUMYIRISSA-N 461.651 2.946 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1594454768 ICNWLJCGURPLHP-QGZVFWFLSA-N 491.618 2.725 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1594491796 LAVJFSYGSZQMHB-DLBZAZTESA-N 462.595 2.561 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1594628051 YREUHQYTJKXLQL-CYFREDJKSA-N 477.606 2.939 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1595250540 GGSAXNCEHUEEDB-GOSISDBHSA-N 456.572 2.592 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1595562380 WYMIZPWSINGOKL-QFIPXVFZSA-N 451.619 2.659 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(O)(CC)CC)C1 1595715334 VMKGGKUYEVXLGQ-KRWDZBQOSA-N 462.620 2.571 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2COCCO2)C1 1595720806 BTJCWUDVTVMXOD-UXHICEINSA-N 477.606 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1595760480 NJUBWICUESQCQB-UHFFFAOYSA-N 492.964 2.955 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(Cc2cccs2)CC1 1595777509 OXJSNQAHEXIXEQ-UHFFFAOYSA-N 457.625 2.930 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1595784945 OHPWXLZKXMWABV-UHFFFAOYSA-N 487.626 2.536 30 10 JFEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1610111523 IEIDMSNLJGHKIO-UHFFFAOYSA-N 462.558 2.803 30 10 JFEE C#C[C@@H](NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C1CCOCC1 1618324225 XVPJKBGNJRIBRL-GOSISDBHSA-N 453.520 2.699 30 10 JFEE CCOc1cc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1OC 1629260006 DOIFSISFPCRUDF-SFHVURJKSA-N 459.568 2.864 30 10 JFEE C[C@H](CC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)/N=C1/NS(=O)(=O)c2ccccc21 1637280421 CAUAFMKDABZKDU-OAHLLOKOSA-N 457.552 2.775 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 1641439645 JWYQZOHTVNVDBB-MYGHRHJXSA-N 450.561 2.646 30 10 JFEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689886796 HGMQFPVARKAGTG-IBGZPJMESA-N 468.583 2.922 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1689982081 HKLIDRCUUHFVNO-KRWDZBQOSA-N 472.945 2.897 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1690033455 XSNUVFLECHLPNO-KRWDZBQOSA-N 465.945 2.746 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1690101092 NXZCXLGOXJCHFI-JOCHJYFZSA-N 464.570 2.709 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1690154747 YIBIUPMYQMRLFX-OAQYLSRUSA-N 479.629 2.816 30 10 JFEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1690322729 OAKODIUEKASQBP-IBGZPJMESA-N 485.386 2.711 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 1690579863 VSMOXVNCJQCASV-UHFFFAOYSA-N 471.675 2.681 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690675907 JFFCETBBLIVVET-OAHLLOKOSA-N 486.926 2.886 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1705519020 VZNNYNAYFWEYGA-GOSISDBHSA-N 452.584 2.912 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1705519021 VZNNYNAYFWEYGA-SFHVURJKSA-N 452.584 2.912 30 10 JFEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705523300 WEYJYQKEFSVTCH-UHFFFAOYSA-N 452.534 2.596 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)c1ccco1 1705598372 HYRAQVRBMXXZBS-UHFFFAOYSA-N 494.596 2.879 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705663175 YNCIHNNTTQBAJD-HXUWFJFHSA-N 453.612 2.835 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705666041 MANKPAZXLLYKPY-OAQYLSRUSA-N 452.584 2.634 30 10 JFEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705731458 YGYHSIXVYBRMLA-OALUTQOASA-N 485.585 2.811 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCN2C[C@H]1C)C(C)C 1705867415 NHNUBQVQUBZILT-XPWALMASSA-N 469.678 2.886 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705897943 XRGOSXFWKSPOIF-APWZRJJASA-N 499.547 2.944 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705907460 NOUFXIRZXFRLMY-JOCHJYFZSA-N 462.602 2.805 30 10 JFEE C=CCNC(=O)Cn1c(N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)nnc1C(C)(C)C 1705908916 XRLSHKSCHDVYLR-UHFFFAOYSA-N 450.587 2.939 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1705911857 RSWFRZDMUDSLCW-QFIPXVFZSA-N 489.642 2.993 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CCCC(F)(F)F 1708152545 FQJXDJQXUPHPTK-MRXNPFEDSA-N 471.491 2.983 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1722305578 BCZXGOACWKNHOF-RBBKRZOGSA-N 466.634 2.570 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN(C)Cc1ccc(F)cc1 1722383312 SWMQBWXGXICUBX-UHFFFAOYSA-N 455.541 2.861 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC(C)C)N(C)C 1722383802 JTJIKQSZFJWPQF-NHCUHLMSSA-N 472.634 2.636 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722390902 GTVNBKOPSOOTAD-SANMLTNESA-N 473.581 2.639 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722436647 JTQHGMWKIJVLJE-YPCDYVTLSA-N 486.661 2.699 30 10 JFEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2csc(COC)n2)CC1 1722440165 FDMKCGJOWJAXOM-UHFFFAOYSA-N 450.612 2.860 30 10 JFEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722440224 GHVMJMZNXYWUEH-HSZRJFAPSA-N 450.631 2.775 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(SCC)c2)CC1 1722447910 PHOSJQWEJPCETM-FQEVSTJZSA-N 453.612 2.908 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1722453699 CJYJNKMZDARUPC-LJQANCHMSA-N 473.668 2.983 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722455301 SFMZHJSPVBDVOC-HXUWFJFHSA-N 484.670 2.545 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722465712 SVMKUKJTIRRZAE-UHFFFAOYSA-N 479.654 2.978 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722505173 IXCMTPFYQKSVFD-AEFFLSMTSA-N 481.523 2.555 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1722518791 NBBZMMKZTBQPNN-UHFFFAOYSA-N 467.599 2.858 30 10 JFEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1722537400 NTXYSBZXTGJVPB-NRFANRHFSA-N 471.577 2.795 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2C)CC1 1722584109 XXPUXPGMWQFMKP-NRFANRHFSA-N 459.616 2.565 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722662274 HWOCUNILMLHJBK-LJQANCHMSA-N 472.640 2.800 30 10 JFEE C=CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722673851 GVELNGRNYIVHHN-KKUMJFAQSA-N 453.531 2.821 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722695770 PKEHGUHXYPYDRE-KRWDZBQOSA-N 474.993 2.794 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722725121 FZRFEDDZWRZESM-IBGZPJMESA-N 486.598 2.939 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1722729761 WRLQZHYWZYNINN-UHFFFAOYSA-N 465.501 2.918 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1722752355 ZZIHJFOMNGYBOA-CZUORRHYSA-N 489.476 2.610 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)C1 1722768323 PAULMGPCFVIGPP-WFXMLNOXSA-N 452.559 2.601 30 10 JFEE CC(C)N(C)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1723514221 AFQGGYZSGBCORZ-NQIIRXRSSA-N 458.632 2.807 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CC[C@H](F)C1 1723611640 BWAYBMLBGOIIBF-ROUUACIJSA-N 457.529 2.892 30 10 JFEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)OC(C)(C)C 1730337772 BJYVRSDLPCPNNZ-INIZCTEOSA-N 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30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C 1359265589 IMHBHAMZBXPZER-OTPAQWSUSA-N 472.634 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359330446 RVPJSPVTNBJCIM-MRXNPFEDSA-N 460.535 2.760 30 10 JFEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1359341589 AYISGFYZWCBLDA-KRWDZBQOSA-N 464.636 2.590 30 10 JFEE C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1460529390 AZTTXZFLVUALNB-FXAWDEMLSA-N 454.552 2.810 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(OCCOC)cc1 1464533484 RWAVGKZQRRRDGW-UHFFFAOYSA-N 452.573 2.735 30 10 JFEE C#CCCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CC1 1464610239 DPJBBWREADOYKY-UHFFFAOYSA-N 455.580 2.976 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1495722318 HEGCLMOZQHJUED-QZTJIDSGSA-N 489.621 2.553 30 10 JFEE CCCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1)C(=O)OC(C)(C)C 1500864236 FAPAQSSVZVYOAY-UHFFFAOYSA-N 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2.848 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N(CC)Cc3nc(O)c4cc(OC)c(OC)cc4n3)cc2C1=O 641923088 PLTIFNLHILMMSU-UHFFFAOYSA-N 476.489 2.797 30 10 JFEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@](O)(C(=O)O)C1 757205791 BTTIDNJQHRQTSB-HOFKKMOUSA-N 476.529 2.745 30 10 JFEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccccc3Cl)n2N)cc1 1084110590 UUAHKDYWKVGXBI-UHFFFAOYSA-N 473.946 2.999 30 10 JFEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(Br)cc3)n2)o1 1084200046 YLPQWGMTSJRVCW-UHFFFAOYSA-N 479.364 2.928 30 10 JFEE CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 1129491116 BZEWIGBEBVEDHM-NRFANRHFSA-N 457.552 2.615 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCc2n[nH]c(C)n2)c1 1286308789 DECUFZWNCORBKA-UHFFFAOYSA-N 475.944 2.719 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)c1 1286309314 JREKDTNHNKVYAX-SWGGMNADSA-N 491.640 2.796 30 10 JFEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286316240 UXERZBFKRPTEMY-UHFFFAOYSA-N 488.539 2.924 30 10 JFEE C#CCCCn1c(N(C)Cc2ccccc2N2CCOCC2)nnc1[C@]1(OCC)CCOC1 1286359318 BSRFOIDUOYYCJO-VWLOTQADSA-N 453.587 2.817 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1286382645 BCIMROQYVITOSX-LJQANCHMSA-N 459.616 2.825 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286383795 OFTVVWPXAPONFJ-HLIPFELVSA-N 457.556 2.916 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1286392883 CWWBXKVQRHBULP-FQEVSTJZSA-N 472.611 2.811 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCNC(=O)c1occc1C 1286430693 NYEBHCGDKWWFOF-UHFFFAOYSA-N 450.568 2.818 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCN2CCCC[C@H]2C)CC1 1286485141 WBORMBIWWXFPPH-JOCHJYFZSA-N 452.651 2.550 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)CC1 1286489287 NAJKZWPJPGBGAJ-UHFFFAOYSA-N 481.507 2.695 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1286582147 SAUDRMRHYKQDDH-IBGZPJMESA-N 484.022 2.746 30 10 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451.531 2.700 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC(C)C)c1C 1286289992 OAAXALQIKQNUSK-QGZVFWFLSA-N 458.570 2.859 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(F)(F)Br 1286379387 PRONUGAPEKBLIX-UHFFFAOYSA-N 467.362 2.700 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286385666 YJTBCXVDJJRIIT-GOSISDBHSA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387803 IJPGYVVVFLXWRV-HXUWFJFHSA-N 472.611 2.787 30 10 JFEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286395104 YZKBDHAOFQJGQA-HXUWFJFHSA-N 468.627 2.826 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286421398 XUHAQCYHEOWIKM-PMACEKPBSA-N 459.591 2.865 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CC(F)(F)F 1286426041 HORVMFQYFQXNPM-UHFFFAOYSA-N 457.460 2.551 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCC[C@@H](C)C2)CC1 1286485554 PSILAMCJHVWJSD-VSKRKVRLSA-N 485.677 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2(O)CCC2)CC1 1286487957 ILSNSGKHWZZPBU-GOSISDBHSA-N 469.561 2.828 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2c(Cl)cccc2OC)CC1 1286491525 VSZBPLNZDBEUNT-UHFFFAOYSA-N 478.984 2.940 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC(F)F)cc2)CC1 1286494426 ONRRJICWCNJVNU-UHFFFAOYSA-N 480.519 2.879 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(Cn2cncn2)CC1 1286546197 HERQXFLIFQKKOR-FPOVZHCZSA-N 470.622 2.686 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286592328 ZMOYBIBZXIPHII-UHFFFAOYSA-N 463.586 2.851 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286606049 FIPDBQPPBBAKSU-UHFFFAOYSA-N 466.542 2.595 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286666519 WIWKHTYXROVARB-UHFFFAOYSA-N 472.619 2.823 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286711268 LFEBDEZNEXURRB-UHFFFAOYSA-N 465.533 2.819 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286786544 GPCJDRAXGGKSNJ-UXHICEINSA-N 493.612 2.617 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286791638 XXWGFHLNGMGLEY-OAHLLOKOSA-N 457.485 2.525 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1286823745 QKIBHOIHHSPEGP-UHFFFAOYSA-N 494.046 2.745 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286831856 FAZXXBLUZGSREO-VQTJNVASSA-N 476.691 2.661 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1288513479 FJKJSILNVOHJNS-KDOFPFPSSA-N 466.464 2.675 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)C[C@@H](C(F)(F)F)O1 1291224665 CPYXRWXEIHBFKE-KSSFIOAISA-N 474.443 2.996 30 10 JFEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)s1 1292790466 HNZQJMGEVRZCOG-CALCHBBNSA-N 466.615 2.824 30 10 JFEE CCCN1CC[C@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)C1 1294655328 ATIHLEQIIIBZFH-PMACEKPBSA-N 451.623 2.922 30 10 JFEE CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1296079185 CTGHUHOBQIMERI-VXKWHMMOSA-N 465.602 2.740 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)c1 1300334121 HXOXYWTWLDZVJM-FQEVSTJZSA-N 466.492 2.744 30 10 JFEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1300365551 YTNWIGHHCTUHNJ-VQTJNVASSA-N 486.617 2.591 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300619463 XZBVIGFRVPHOAD-WOJBJXKFSA-N 477.613 2.634 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCc1nc(C)no1 1300648448 GIRBFXJKIOIEMX-UHFFFAOYSA-N 451.506 2.504 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CCSCC2)CC1 1300689575 YXTIHMRJLKBNDZ-UHFFFAOYSA-N 493.450 2.651 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2CCOC2)CC1 1300770599 VPEOJPHXDGLKRF-SFHVURJKSA-N 459.641 2.889 30 10 JFEE C#CCSCCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1300777736 BOJVNUWBKHZYBH-CYFREDJKSA-N 477.675 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1300867978 ANWUGASZJFGZCP-ZCNNSNEGSA-N 492.690 2.987 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)C)C(C)C 1301372500 ZOGZQCHCUAKSPY-PMACEKPBSA-N 471.650 2.747 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(Cn2cncn2)CC1 1301491203 GAKZYJLJIGRYSA-UHFFFAOYSA-N 485.390 2.518 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)S[C@H](C)C1 1301520826 QHELTWBYMWAZLQ-BBWFWOEESA-N 464.636 2.983 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301575956 NUACQTDPQVOFAL-SJORKVTESA-N 491.683 2.789 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301617908 LWVMWJMDEUKMRE-QGZVFWFLSA-N 464.636 2.813 30 10 JFEE Cc1ccc(C)c(Oc2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)c1 1306360337 BXGMKXARNUWFGG-UHFFFAOYSA-N 450.520 2.957 30 10 JFEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCC(C)C)C1 1314005604 CBZRUFRZAAETGS-NZQKXSOJSA-N 474.631 2.522 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1358912215 LFDSGOJPCNECJH-JOCHJYFZSA-N 466.611 2.865 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1358963406 HGBONASXTWBGLU-INIZCTEOSA-N 454.518 2.763 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358964731 GEHCGTUUVPTLJS-TWWGPRNNSA-N 474.602 2.838 30 10 JFEE C#CCN(c1nnc(COCC)n1CC1CCC(C(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1358967462 KVIOWTRHPFHXHF-OFLPRAFFSA-N 462.538 2.810 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1358993231 IRACNLJFRMSUPF-XMMPIXPASA-N 461.610 2.640 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2ccc(Cl)nc2)n1 1359027238 BBGXWXDAJRJGPE-UHFFFAOYSA-N 464.961 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(O)(CC)CC)CC1 1359042227 XGUSVSPCTIDYNN-UHFFFAOYSA-N 475.597 2.852 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 1359044241 AJTQADTZTVGYJQ-GOSISDBHSA-N 477.487 2.695 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1359064960 DRAUYBWVAIDUEI-OAQYLSRUSA-N 468.359 2.580 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(CC)CCS(C)(=O)=O 1359100483 CGGBCAUUFKNJGD-RXVVDRJESA-N 450.580 2.860 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1359125820 USVURKQTOKBUCB-IBGZPJMESA-N 455.559 2.773 30 10 JFEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 1359126971 FFSGRSGDDVAPNM-LJQANCHMSA-N 462.392 2.821 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359183505 MSFZBOQVSHTEKJ-ZBFHGGJFSA-N 451.597 2.566 30 10 JFEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359198637 WKLFNRZJAVNAIE-KDOFPFPSSA-N 467.558 2.774 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1359216480 XDJOWKOGYPHUPL-CEXWTWQISA-N 479.647 2.886 30 10 JFEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(=O)OC)CC1 1359282950 YMPNDJIPRLNYRQ-UHFFFAOYSA-N 467.574 2.634 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359292173 JKRFEXLVEVWJDY-FCHUYYIVSA-N 493.612 2.747 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@@H](OC)C(F)(F)F)C1 1359319253 WBXCQUQBCWWOGQ-XJKSGUPXSA-N 457.453 2.755 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1359329267 DHNYUVKHFARLTM-GOSISDBHSA-N 468.352 2.750 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1359333171 POTPRDPORWJVLM-SFHVURJKSA-N 457.600 2.689 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C1 1359557041 BKVIIRHRNCRLKI-IBGZPJMESA-N 479.585 2.790 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1360476074 HYGINMDDUODHPG-QZWWFDLISA-N 492.568 2.718 30 10 JFEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)c1 1437520861 HHUPFHILDCHLSQ-UHFFFAOYSA-N 452.540 2.789 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1 1444941555 ZLSFGODOSPDINB-HXUWFJFHSA-N 452.454 2.633 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C(=O)OCC 1462155624 JSEBKKQHIPCQEK-LLVKDONJSA-N 456.717 2.796 30 10 JFEE Cc1cn(-c2ccccc2)nc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464888563 DAOSFBGOMZPYMP-UHFFFAOYSA-N 450.524 2.591 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2csc(C)n2)c1 1507548427 RYJIOYYIAJLCEC-UHFFFAOYSA-N 477.594 2.578 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)Oc1ccc(F)cc1 1507656317 GDDCLUGFRRWHPU-KRWDZBQOSA-N 451.527 2.949 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1507664893 HVEULYLXQWXTIN-XMMPIXPASA-N 457.582 2.523 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccc(C)c(F)c1 1507671783 PPCJMAIKONWTMS-UHFFFAOYSA-N 483.551 2.857 30 10 JFEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(Br)c1 1507677561 BHFJYDFKAGOMEE-UHFFFAOYSA-N 460.376 2.987 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(N(C)C)CCOCC1 1507691042 ZOTLAOAMXJQLOY-UHFFFAOYSA-N 474.650 2.963 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1([S@@](C)=O)CCC1 1507709836 BQGDSXICCPKYRV-JGCGQSQUSA-N 453.568 2.987 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1507734947 DZEPDBXBDVKXIZ-HHHXNRCGSA-N 495.624 2.868 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H]2CCOC2)CC1 1507742076 AMNNBPGNEAIRQP-QGZVFWFLSA-N 457.525 2.540 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@H](C)C1 1507743412 AXPFPCOGMPKBEO-QGZVFWFLSA-N 461.035 2.758 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)NC(C)(C)C 1507744832 PKKXXMYYTVBDDE-UHFFFAOYSA-N 467.437 2.763 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CCOC)C(=O)C1 1507748378 NHMSXYROWVMSDC-QGZVFWFLSA-N 473.668 2.793 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCNS(C)(=O)=O 1507793440 DLGNBPXHDUFCPI-DNVCBOLYSA-N 484.022 2.574 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1507820624 IQGLYJPVTPXYGO-MHJFOBGBSA-N 483.679 2.997 30 10 JFEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCNS(C)(=O)=O)CC1 1507878145 SWLFMEFFCWFQOF-UHFFFAOYSA-N 458.357 2.552 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507891978 IEDVBYLSEBMEHV-ROUUACIJSA-N 465.620 2.941 30 10 JFEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1507928506 KDRJTVQVPPWKJU-JBACZVJFSA-N 487.626 2.817 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507960097 VNTBSUZVORLOMN-ZDUSSCGKSA-N 475.434 2.985 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1508020058 NMKXZMOGIUSVGM-JPYJTQIMSA-N 463.579 2.570 30 10 JFEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1508065668 SUDWNJMFMHFPKZ-UHFFFAOYSA-N 477.613 2.685 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1508107270 ZDOUTKUJKKDUEC-GOSISDBHSA-N 499.641 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](N2CCCC2)C1 1508136481 SJLRVTQVGFOACK-KRWDZBQOSA-N 497.463 2.701 30 10 JFEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1508156476 ZCTBIICCJMOTNX-UHFFFAOYSA-N 486.690 2.511 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1508159428 NRCOWDXQDNJWEG-QZTJIDSGSA-N 456.616 2.872 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C1 1508792951 GJSVJNFJLYCOPK-OAQYLSRUSA-N 498.653 2.630 30 10 JFEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)C(C)C 1509536425 AICOIAOFUCKWIV-UHFFFAOYSA-N 467.618 2.621 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1nnnn1CC1CC1 1509937181 AAYFQACQRCQXQE-CYBMUJFWSA-N 456.352 2.891 30 10 JFEE CCOc1cccc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)n1 1516324519 DUXFEPUWKRAIGK-LJQANCHMSA-N 460.586 2.887 30 10 JFEE C#Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1523035884 GQHJMTYBUOGUSB-UHFFFAOYSA-N 453.383 2.568 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1539071998 IYUGHLZRSDAVAM-ROUUACIJSA-N 475.581 2.694 30 10 JFEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539082180 MOVXNWWKQSATRG-OAQYLSRUSA-N 464.570 2.750 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cccc(C)n1 1539265500 GZHDWLWONOREIM-UHFFFAOYSA-N 454.582 2.861 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1539444487 PUGBMPHHVVJDSA-UHFFFAOYSA-N 473.503 2.561 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCc2cnn(C)c2)CC1 1539446481 DGGAKVTYAFLUMV-UHFFFAOYSA-N 496.660 2.514 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC(F)(F)F)CC1 1539477454 NBHYHYCOWUESHO-UHFFFAOYSA-N 450.465 2.541 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1539481641 MSVIFVMCSJQPFU-VWLOTQADSA-N 455.603 2.950 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(N3CCSCC3)CCCC2)CC1 1539483078 RTCZPRSEJDSIBC-UHFFFAOYSA-N 472.703 2.804 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1539548023 DDJCUCYKPALNRE-HXUWFJFHSA-N 451.449 2.633 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1540005914 PIEYDQDKZRIVGF-KRWDZBQOSA-N 463.579 2.621 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1540033494 JWVJXUFVGNJRPN-UHFFFAOYSA-N 454.550 2.984 30 10 JFEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1540095421 PPRRMNYHEFFMJW-QFIPXVFZSA-N 452.621 2.831 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1540120729 NTSKQHWETLAAPI-GOSISDBHSA-N 490.593 2.649 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1C1(c2ccccc2)CCC1 1540876105 HREWGBGDLBNMRU-HXUWFJFHSA-N 450.587 2.545 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(Br)o1 1540906964 IBNQUWWYNUBXFU-UHFFFAOYSA-N 497.419 2.732 30 10 JFEE CC(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1541514639 BQUWYWCTXWJTFG-INIZCTEOSA-N 480.038 2.786 30 10 JFEE Cc1nccn1-c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)cn1 1542969479 HOBIKPDFHFLQCT-MRXNPFEDSA-N 475.582 2.945 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1552645893 CPDLPVHHEPHXSV-FQEVSTJZSA-N 482.585 2.804 30 10 JFEE CC#CC[C@@H](CO)NC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1C 1557362401 JAHXOOQSHNIBPE-FQEVSTJZSA-N 458.580 2.788 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)s1 1565724559 SXHPCGIVINHKNX-UHFFFAOYSA-N 456.611 2.717 30 10 JFEE C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 1569839546 KXOPQXPZYJIPBS-UHFFFAOYSA-N 451.951 2.989 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H]2NC(=O)CC2(C)C)c1 1587697479 QOMFNJWFFKNVBB-HXUWFJFHSA-N 491.621 2.605 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1587765047 AKUHWUNZFVHEAT-PCECOYNLSA-N 462.641 2.919 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588069640 RPIKZLAJEQXQRV-LJQANCHMSA-N 485.635 2.859 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCC1CCN(CC(F)(F)F)CC1 1588159534 YCSXAZDRAZXLQS-UHFFFAOYSA-N 461.536 2.877 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1588258686 HJFUTEUTDNHPNL-AABGKKOBSA-N 459.591 2.720 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCC[C@@H]1C 1588697271 RLYSDKSKCKKBKR-RGKFVRLKSA-N 461.607 2.686 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cccn(CC)c2=O)CC1 1588752226 QPVWSTOAPLXYRA-LJQANCHMSA-N 464.545 2.542 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(C)nn(-c3ccccc3)c2C)CC1 1588753035 ZXTYLJRRFNUBKR-JOCHJYFZSA-N 477.613 2.608 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1588790862 FRSMVEJEZMSIQA-KRWDZBQOSA-N 450.484 2.724 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1588929902 IKGWIJIUHSZZFT-XZOQPEGZSA-N 464.614 2.788 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2c(C)cccc2C)CC1 1588962337 ZQNZEXUWQBOKTJ-UHFFFAOYSA-N 473.625 2.965 30 10 JFEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1589069731 NBSCMTAQBDLXTO-MOPGFXCFSA-N 461.657 2.720 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589515465 NUOLXWKZXKZLPW-IRLDBZIGSA-N 484.626 2.658 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1595387270 XUCOPLCCPNTXGO-MRXNPFEDSA-N 459.620 2.555 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595555589 DMQGWIQSEIBNNU-FQEVSTJZSA-N 468.602 2.925 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(Cc2cscn2)CC1 1595593443 DOPWQYZPQIBJNJ-UHFFFAOYSA-N 483.667 2.960 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1595658730 JGPGYGKEPXALKT-VQTJNVASSA-N 466.586 2.727 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CCOCC2)C1 1595777370 LMIDCEBEXVXDQS-UHFFFAOYSA-N 455.584 2.815 30 10 JFEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)CO2)C1)C(C)C 1628517209 MUOPCQVSQBPWRZ-BVAGGSTKSA-N 454.615 2.898 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c1 1632135027 VDHRRNLLFYNHIB-SFHVURJKSA-N 454.548 2.580 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1n[nH]c(-c2ccccc2F)n1 1641197262 AXVCLKJAZFAEHU-INIZCTEOSA-N 456.503 2.847 30 10 JFEE COC(=O)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1OC 1661020844 FNOGJXNXSMDPDF-OAHLLOKOSA-N 456.442 2.896 30 10 JFEE C=CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 1663275360 KCSZJVYWQQCNAZ-UHFFFAOYSA-N 450.582 2.905 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1689908025 UKJHDEXEHCSYFP-URXFXBBRSA-N 483.588 2.836 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689979929 JJALMBGONGGHQK-WMZOPIPTSA-N 489.598 2.883 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689984573 QWBZMGOSSPEZLD-MSOLQXFVSA-N 496.992 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ALIMLNFOGSPSKI-UHFFFAOYSA-N 458.448 2.564 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(CCO)Cc1cc(Br)ccc1F 1689907750 KNVVRGFYHIDAFB-UHFFFAOYSA-N 466.355 2.730 30 10 JFEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1689990486 PCKANUCGVVYIJJ-ZWKOTPCHSA-N 498.049 2.772 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689997181 XIEGSELKIBXSMX-FQEVSTJZSA-N 495.630 2.610 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689997197 XOUZBDHWPVOINH-MJGOQNOKSA-N 479.002 2.564 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1690034855 UMECUDMDNCHFRE-HHHXNRCGSA-N 495.599 2.806 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1690133485 JGGIQCNSTRVSDP-UHFFFAOYSA-N 468.602 2.788 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSc2ccccc2)CC1 1690137554 CLWKHWPNIRGFHT-VWLOTQADSA-N 483.638 2.688 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCC(=O)N(CC)CC)CC1 1690140474 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10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1705729469 ZFGWYPXLCYAZOT-UHFFFAOYSA-N 467.574 2.906 30 10 JFEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1705771184 KIFJFKSDRRTKSM-SFHVURJKSA-N 453.513 2.559 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705772685 ROWZVQIBUJCKAS-HXUWFJFHSA-N 459.616 2.912 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1705821680 FHIIJQSGJBEQKJ-UHFFFAOYSA-N 452.607 2.915 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1705908858 IMRNGBBCHSRPHL-SBUREZEXSA-N 457.579 2.782 30 10 JFEE C=CCNC(=O)Cn1c(N2Cc3ccc(Br)cc3C2)nnc1[C@]1(OCC)CCOC1 1705908980 YXMJILSANSDNFH-NRFANRHFSA-N 476.375 2.515 30 10 JFEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1706544555 GPGKQRXNWSPNTF-UHFFFAOYSA-N 477.613 2.959 30 10 JFEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCO1 1706687497 DUDVSUGLXKIYPS-JOCHJYFZSA-N 468.602 2.558 30 10 JFEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1709428969 CEQISEQXUJEVEG-HXUWFJFHSA-N 498.653 2.774 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)n1 1712343289 AOBVKTLOCXFZFA-HKUYNNGSSA-N 451.531 2.576 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1722333690 XVYWLDMBZYDSNX-VXKWHMMOSA-N 455.628 2.694 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722362335 NEZGHROPLDNAIE-IBGZPJMESA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722367751 XLJOOQJRTAJGDS-NQIIRXRSSA-N 478.062 2.879 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722372325 UKVKRYQYIAEMHS-MRXNPFEDSA-N 468.501 2.646 30 10 JFEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1722411284 CLPOJRWOZOBQQT-BHWOZTKKSA-N 461.607 2.782 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H](C)N1CCN(CC)CC1 1722424350 KFKCNWVWCMITRK-LJQANCHMSA-N 489.462 2.820 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ncccc2F)CC1 1722495168 VZEZACWFTKOCLC-XLIONFOSSA-N 472.565 2.979 30 10 JFEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(S(C)(=O)=O)CC1 1722530804 JRDYKKOPBXCWEN-UHFFFAOYSA-N 479.672 2.950 30 10 JFEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722684209 BCKKTQVVJLEGQI-UHFFFAOYSA-N 465.558 2.972 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722706654 WQPYLXYWCXZFRS-QRQCRPRQSA-N 496.395 2.850 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1722709001 HRQQQSSKLMPUKW-PMACEKPBSA-N 466.586 2.843 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCC(OC)CC2)C1 1722722640 QLMZRFGWGXPSHJ-QFIPXVFZSA-N 454.619 2.935 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1727927989 GTWYAMOTCXHHBQ-REWPJTCUSA-N 479.629 2.670 30 10 JFEE COc1ccc(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1730104049 CWDAQCSIEXFONQ-YLJYHZDGSA-N 461.526 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CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)C2)[C@H]1CO 2282544171 FCBCLZGXKOPFMI-FJIDUMEYSA-N 464.412 2.983 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@@H]2C1 2282597480 JOVXXRQSDHKWPC-IAGOWNOFSA-N 478.420 2.898 30 10 JFEE Cc1csc(C(=O)NCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282600217 UHWLTTSXLTVBBO-HSZRJFAPSA-N 480.436 2.848 30 10 JFEE CO[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282603433 GJAMRJJBIUAYKC-HUUCEWRRSA-N 481.424 2.587 30 10 JFEE CN(C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2282685286 CRMPHYBRFJJBFI-DEOSSOPVSA-N 460.380 2.742 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282697540 RGCIJDNEKXEXDH-UPCLLVRISA-N 459.396 2.937 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC12CCCC2 2283964236 MKRMHXGMXLFJRW-CQSZACIVSA-N 478.424 2.768 30 10 JFEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CC[C@H](O)CNC(=O)OC(C)(C)C 2283969770 RDJCQKIMSQWJIY-IBGZPJMESA-N 462.396 2.610 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2296391556 JKXACYJVVRJGSX-UUOWRZLLSA-N 458.364 2.950 30 10 JFEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccnc2)c1C 2297060260 LYXMICHSEKWPRL-FQEVSTJZSA-N 463.494 2.522 30 10 JFEE CNC(=O)Cc1cccc(NC(C)=C2C(=O)C=C3Oc4c(C(C)=O)c(O)c(C)c(O)c4[C@@]3(C)C2=O)c1 2297628935 WCPFBEBTILPITN-MHZLTWQESA-N 490.512 2.969 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2314143198 APRBIZHALIPBDL-KGLIPLIRSA-N 451.398 2.609 30 10 JFEE COc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCC(N)=O)c(OC)c1 2327540811 AUSCEDOCBNZENR-UHFFFAOYSA-N 461.931 2.987 30 10 JFEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc(OC)c1O 2327840285 OELAKSXPSYSUOU-MRXNPFEDSA-N 488.614 2.607 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]2C[C@H]12 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59832196 DGSALTWKJYKYJH-YDZHTSKRSA-N 479.570 2.881 30 10 JFEE COc1ccc(CNc2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCCO4)[C@H](C#N)C(=O)N3)cc1 72461128 GUIAXYPWKIQNFV-PXNSSMCTSA-N 473.489 2.776 30 10 JFEE CCOc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](c2ccc4c(c2)OCCO4)[C@@H](C#N)C(=O)N3)cc1 72472694 QKLCALKRWYRXPH-VQIMIIECSA-N 459.462 2.907 30 10 JFEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1 102711746 RAKUEHJFYGVKHY-VFJWVMJUSA-N 451.523 2.624 30 10 JFEE Cc1ncn(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)c(=O)c1I 304629136 YUIDEBQHBGNVSY-UHFFFAOYSA-N 452.101 2.504 30 10 JFEE N#Cc1cccc(-n2cnc(I)c2I)c1[N+](=O)[O-] 310659222 IYRSMHSVYGNAFV-UHFFFAOYSA-N 465.976 2.861 30 10 JFEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1nc(C(=O)OCC)cs1 409834849 XWSUSFGDQGRGTN-HOTGVXAUSA-N 493.607 2.951 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c(OC)c(OC)c2)c(=O)n1-c1ccccc1C 489648824 NPQSXLHNPASNSC-UHFFFAOYSA-N 495.988 2.683 30 10 JFEE COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])c1 586328042 KBGLQKZTORSIAE-JGCGQSQUSA-N 476.536 2.741 30 10 JFEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCCc1nc(-c2ccncc2)no1 913272685 LLVCKLFAONOCAG-RUZDIDTESA-N 473.489 2.773 30 10 JFEE Cn1c(=O)c2c(nc(NN=Cc3ccccc3)n2Cc2ccc(Br)cc2)n(C)c1=O 1081159530 HODLXENAVYZSEO-UHFFFAOYSA-N 467.327 2.691 30 10 JFEE C=CCc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)OC 1083983432 TVTZPNBIHDQEMO-VBKFSLOCSA-N 454.479 2.937 30 10 JFEE COC(=O)c1cn([C@@H]2CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)nn1 1138069189 HFTPXZPNQOTJFU-QGZVFWFLSA-N 456.934 2.670 30 10 JFEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)CCN2C[C@H](C)O[C@H](C)C2)cc1 1194029617 IBYOQOVLVCBHAP-HDICACEKSA-N 453.587 2.954 30 10 JFEE C=CCc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc(OC)c1OC 1221553728 PHVREYNXMOIUMF-RTBURBONSA-N 451.589 2.625 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c1 1264809395 CLCYQLUFTSMOSQ-UHFFFAOYSA-N 458.474 2.817 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCNC(=O)OC(C)(C)C)c1 1286311002 JETCBBWUZGVWPY-LJQANCHMSA-N 482.585 2.753 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1286396149 VNHAWBWZJHCSFF-VQIMIIECSA-N 473.599 2.895 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCO[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286398823 QNPIYRCXVCHXIW-CEMLEFRQSA-N 472.611 2.924 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cccnc1OCC(F)F 1286402207 CMRYLUVBZFJGBL-UHFFFAOYSA-N 451.433 2.834 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1286454588 LCGNIOOCAAJODM-ZNTNEXAZSA-N 471.496 2.645 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1286475474 APKJKQIJWXANEH-UHFFFAOYSA-N 485.539 2.732 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1286479400 RKZICRGNSGWJOS-UHFFFAOYSA-N 455.006 2.584 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2c(C)noc2C)CC1 1286492056 FFGGUDOCAYBBCU-UHFFFAOYSA-N 480.544 2.810 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286504517 RAOWPGTXZDRPLB-UHFFFAOYSA-N 477.656 2.570 30 10 JFEE C=C(Br)Cn1c(N(C)Cc2ncnn2CC(F)F)nnc1[C@]1(OC(C)C)CCOC1 1286546588 CGNCLFCEIYJSGF-SFHVURJKSA-N 490.353 2.720 30 10 JFEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286584876 OYTOHOLTMAPNBO-HXUWFJFHSA-N 469.977 2.848 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1286592619 NGEZGQFGDZZOKQ-UXHICEINSA-N 461.588 2.537 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1286602362 XUJQDGFCHDLAKG-FQEVSTJZSA-N 479.589 2.643 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSC[C@@H]1C 1286605950 BMNRPKQJLKXVNQ-INIZCTEOSA-N 450.634 2.773 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1286700260 LCQLDZUSCHVMNJ-XLIONFOSSA-N 496.033 2.888 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286793258 BBJFWQHAGJJQKY-HLNWXESRSA-N 490.649 2.848 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-n2nc(C)cc2C)C1 1286801070 VYBGHXNDURMIJY-TZIWHRDSSA-N 499.641 2.520 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1286818743 NCHWIHAJZKQYKB-HXUWFJFHSA-N 496.637 2.833 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(C)C)CC1 1286822818 HVSBSDRUZSUXMS-UHFFFAOYSA-N 475.659 2.995 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1288505948 DKNZJQWZPRAPNH-OLZOCXBDSA-N 455.382 2.599 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC(=O)N(C)C3CCCCC3)CC2)c1C#N 1290576546 GBLYPDACJLVXKZ-UHFFFAOYSA-N 495.676 2.898 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccc(F)c(F)c1 1297274802 DEXDFKISISJNII-UHFFFAOYSA-N 453.497 2.929 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)CCC(F)(F)F 1300298198 ASTYHVUGZHYOMZ-MRXNPFEDSA-N 485.580 2.970 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCC2)c1 1300331602 MXLQALZHAOYECG-UHFFFAOYSA-N 450.930 2.965 30 10 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C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300989557 PRIXVRWJCGNXFF-NRFANRHFSA-N 489.642 2.932 30 10 JFEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1301018415 CIHNAKRXHJHILB-SFHVURJKSA-N 477.993 2.848 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccccc1CC 1301040164 DCQHCHHVBSTGPR-INIZCTEOSA-N 451.980 2.570 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301141491 OFOQUVPFROWKDN-UHFFFAOYSA-N 463.586 2.993 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1301258357 QPFPNEHTTKLVBX-OALUTQOASA-N 493.605 2.569 30 10 JFEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301491237 MZEMBNZIJYIPNP-MRXNPFEDSA-N 475.519 2.812 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C1 1301538151 FVAPIFGXCVIGBA-FUHWJXTLSA-N 465.645 2.748 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1301543580 MRNNTQRYMQJWLP-LESCRADOSA-N 466.380 2.869 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301579178 PBUUHSPUPLEQMA-FQEVSTJZSA-N 458.632 2.562 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301585134 HXHZXMOWNZVXJY-KRWDZBQOSA-N 451.618 2.879 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)c1 1309076069 DSROXLWKAKSBIU-HNNXBMFYSA-N 450.944 2.994 30 10 JFEE Cn1cnnc1[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1314915916 AFFCEANJPBHNOZ-GPWHBBDMSA-N 482.614 2.746 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2c(CC)noc2C)c1 1358902689 WOXDZMGNFKQBTD-UHFFFAOYSA-N 456.510 2.698 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1358903549 AXOUBSIYWAEPQE-UHFFFAOYSA-N 450.587 2.791 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1358910653 WZNWKMCXYIINBJ-UHFFFAOYSA-N 475.597 2.927 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1358960011 UOQQVNFJHGFOHO-LJQANCHMSA-N 490.651 2.876 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1358960465 FIOPMTQSWJNMOO-QHCPKHFHSA-N 479.606 2.942 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358962370 OOJMWHHIPRHGCM-VQTJNVASSA-N 464.632 2.743 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358965056 NCVLVUOSHXPHGW-JOCHJYFZSA-N 479.606 2.532 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1358966318 MLOXBEQCLJUOCD-NRFANRHFSA-N 485.654 2.585 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1359016460 CNLNOYCCMCVYBI-UHFFFAOYSA-N 454.594 2.810 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1359047496 ILJDENSWTULLGI-HYBUGGRVSA-N 471.989 2.657 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359082353 GGCHWVAMXDYRIF-CABCVRRESA-N 483.411 2.831 30 10 JFEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1359132228 QTEQJUFJIFYDSH-OAQYLSRUSA-N 456.566 2.673 30 10 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10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(F)c1 1507703407 AFTUWCMBWPXUTE-UHFFFAOYSA-N 470.574 2.820 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCO[C@H]1C 1507707485 XUXSPSBRAWRVIO-VBKZILBWSA-N 483.794 2.987 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1507725749 AFMFUEPEODEUIJ-SZPZYZBQSA-N 497.713 2.783 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCn2cc(C)cn2)CC1 1507734595 PPMYNGUBMOJJNF-UHFFFAOYSA-N 451.962 2.769 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2csc(-c3ccco3)n2)CC1 1507741489 VDIJAJZZMIHINO-UHFFFAOYSA-N 454.556 2.545 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507794160 GUNHSRQYTKICKU-BKULYWANSA-N 466.630 2.963 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1507803316 GLONWDFWFYTBQS-LGVFNWMJSA-N 453.587 2.964 30 10 JFEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1507876508 JRBHGTHMKQETKM-GOSISDBHSA-N 454.566 2.709 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1507935832 VHNSOOYNFWJQMI-ICSRJNTNSA-N 465.664 2.914 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCOCC2)C1 1507958389 BQFRHQITBFTHCD-UHFFFAOYSA-N 460.600 2.948 30 10 JFEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1508097620 JEPBVOUINDVAQK-UHFFFAOYSA-N 480.613 2.965 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1508124113 KXTYHYDJRVGHNM-LJQANCHMSA-N 452.946 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1508132052 ULHMRZNPPDKQRU-INIZCTEOSA-N 453.559 2.997 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1508791424 BDYBQDRXVIILCJ-HXUWFJFHSA-N 465.602 2.674 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1509211773 CWTRLXPHGBDGIW-OAQYLSRUSA-N 491.562 2.938 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1522162279 DYAFFRYDHRDOGE-QGTPRVQTSA-N 457.390 2.700 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1539040619 ZCYYAYIRRDHWOJ-DEOSSOPVSA-N 487.608 2.753 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539219261 HQZDWQLWLNTYFB-WOJBJXKFSA-N 493.674 2.750 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539225515 OKEARCCFRYURGW-OAQYLSRUSA-N 458.632 2.541 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539230427 HMYUINBCKLAAFT-SFTDATJTSA-N 487.695 2.990 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CN(C(=O)OC(C)(C)C)C1 1539251401 FLAVDLIMRXVIQG-UHFFFAOYSA-N 463.538 2.656 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539307578 WLXLHKWJKKWHRR-VXKWHMMOSA-N 475.572 2.763 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539452557 VQMRURUVKIFBRJ-UHFFFAOYSA-N 474.556 2.769 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1539644296 GKRVRSOTQLBKMS-HSZRJFAPSA-N 466.630 2.922 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539840498 VHBZHVKXLFHNHN-QGZVFWFLSA-N 461.588 2.543 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC(F)F)CC1 1539890385 NPYAZASXYATGTK-IBGZPJMESA-N 497.568 2.663 30 10 JFEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539903138 UAEKMDHUVPAPEO-INIZCTEOSA-N 473.647 2.816 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1540152641 ZFZHVZFXEMUVES-FDFHNCONSA-N 456.635 2.682 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)OCC)C1 1540889252 HVENFHFYDZNTPB-KRWDZBQOSA-N 462.620 2.835 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccn(C)n2)C1 1540891591 WWZWDMSEMQNXIV-HXUWFJFHSA-N 471.606 2.956 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)C1 1540895350 QDCYSXXMVHFXNH-FQEVSTJZSA-N 460.600 2.832 30 10 JFEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1540917419 WDEUFMYGJQPIGW-GOSISDBHSA-N 486.063 2.820 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1547384471 BUYOPSORLPIACQ-KRWDZBQOSA-N 461.613 2.638 30 10 JFEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN(C)Cc2ccccc2)CCOC1 1547891466 CMQSJMRQECVMHW-RPWUZVMVSA-N 456.566 2.894 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)NCC(F)(F)F 1587599153 KCJXKFDTLHRINJ-AWEZNQCLSA-N 453.465 2.877 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2(C(N)=O)CCCC2)c1 1587689193 CWGODCKJTOWKFP-UHFFFAOYSA-N 460.538 2.948 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCCC2)c1 1587696752 ADEQZMNTDLUMPC-URXFXBBRSA-N 480.613 2.544 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588059358 MQHINQYJKJQSGJ-MOPGFXCFSA-N 460.600 2.579 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1588070089 WIROMDATLBJLAI-RBUKOAKNSA-N 490.651 2.636 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588113104 HDVZOYMIGDSEPG-DEOSSOPVSA-N 469.593 2.509 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1589581648 UUEWSDLUPXEZDO-UFPGJGBJSA-N 491.677 2.847 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1593806643 CVJDVYRDRXUTRY-DICRZQGBSA-N 458.028 2.815 30 10 JFEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1594798032 MQFAJBSLCJAXSN-SQJMNOBHSA-N 491.640 2.788 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1595115724 LWYSQQRXZWQHGQ-YADHBBJMSA-N 471.627 2.631 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1595334849 HSLWEZDOLQMSIO-KRWDZBQOSA-N 487.655 2.721 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3nc(C)c(C)s3)C2)nnc1[C@]1(OCC)CCOC1 1595602725 PGMXUFWSCLHVAH-JPYJTQIMSA-N 474.631 2.690 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(F)cc2)C1 1595721938 IBNCROWPCMXSRY-FXAWDEMLSA-N 464.563 2.570 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](C(=O)NC)C1 1595765836 HMKNLCLXGSRYOE-DLBZAZTESA-N 491.683 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1595788912 KLZORNIROKVFHF-CQSZACIVSA-N 478.525 2.676 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1595884840 VCZQZEPZCUMTMY-UYAOXDASSA-N 462.641 2.986 30 10 JFEE C#C[C@H](CCC)NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1596985541 RKZBRWWCTNXXTP-QMTMVMCOSA-N 456.008 2.653 30 10 JFEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1619877414 FWBOFVQQYZHVNO-UHFFFAOYSA-N 479.629 2.624 30 10 JFEE C#CCN1CCCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)CC1 1629537167 TUNKHPPDXDMAIV-IBGZPJMESA-N 450.352 2.750 30 10 JFEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2nnc3nc[nH]n23)c1 1636998402 QQCTWTJUPGVICF-UHFFFAOYSA-N 457.903 2.739 30 10 JFEE C=C(C)C[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1643543493 UEALTSMQKDTBRV-RTBURBONSA-N 458.584 2.556 30 10 JFEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCCCC2)cc1 1649677237 CSEUAOWAZGCTDW-REWPJTCUSA-N 452.603 2.923 30 10 JFEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)n1 1655207178 BRBWBBORPRJFPA-UHFFFAOYSA-N 453.362 2.756 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nccc(C(F)F)n1 1689860559 CLYNBCFJJXGXOF-LJQANCHMSA-N 480.567 2.877 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1689867504 UCDNDNNPXIZVSJ-DBYOASNMSA-N 461.676 2.863 30 10 JFEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cc(Br)cn1 1689944016 IJZWSDZDZFYTOQ-UHFFFAOYSA-N 490.793 2.980 30 10 JFEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689982107 IEQBYNNFRTXESN-QPPBQGQZSA-N 470.639 2.782 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1Cc1nnc2n1CCC2 1690054198 QADJSJFKHDEFLI-UHFFFAOYSA-N 480.370 2.669 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccnc2OCC)CC1 1690148544 KNBAJTXVALETJO-UHFFFAOYSA-N 494.546 2.955 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690154040 IDVUHCSEDRGBHP-MSOLQXFVSA-N 476.647 2.620 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690164026 YVDRZOUMXIKDBA-NRFANRHFSA-N 490.427 2.942 30 10 JFEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690620055 NOELDCLDOFZGJT-ROUUACIJSA-N 474.606 2.532 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCNS(C)(=O)=O)C1 1690689747 KTJYAAYNYDTGSE-QGZVFWFLSA-N 498.447 2.737 30 10 JFEE C=CCSCCn1c(N2CCSC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690752703 OSFJJLLWGRXQOA-NRFANRHFSA-N 454.662 2.952 30 10 JFEE Cc1ccc(OC(F)F)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1693125752 DFKVCTSTGQILBO-AWEZNQCLSA-N 468.530 2.586 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705478712 BDZXCPPYEVDVEK-RLFYNMQTSA-N 495.447 2.698 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)c1 1705504490 XWBOEMDAPZFZMI-KRWDZBQOSA-N 474.631 2.627 30 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C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1722343631 IQGIKHGEWRPCIU-AREMUKBSSA-N 466.630 2.600 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1722365228 MACKJQSEOMWNMA-HNNXBMFYSA-N 462.547 2.884 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1sc(C)nc1C 1722379029 KTOQSJZUTLDDOD-UHFFFAOYSA-N 467.624 2.627 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C2CC2)N(C)C)CC1 1722444612 CNCWVGZSNZHSFG-NRFANRHFSA-N 455.006 2.905 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCc2nccnc2C)CC1 1722450292 CBEBGYNGNOGMPM-UHFFFAOYSA-N 487.608 2.726 30 10 JFEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1722518401 FIAYZJNDWPZFIU-MRXNPFEDSA-N 456.595 2.916 30 10 JFEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722553800 BJVPUQFWCUEOCO-UHFFFAOYSA-N 469.977 2.950 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1722687751 GPHBSCQMIJTSEK-UHFFFAOYSA-N 468.587 2.725 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722694539 YLZYZXOJQHEEDX-UHFFFAOYSA-N 495.447 2.766 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1722707086 GHCKFAWNHHFEHI-KRWDZBQOSA-N 464.492 2.527 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722740048 ZZSGKJDRJARJQY-QFBILLFUSA-N 484.594 2.956 30 10 JFEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722744770 WYGMUTZMYVLBTQ-NJDAHSKKSA-N 490.718 2.859 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1728701762 HDPPGAPFCGLNNL-GOSISDBHSA-N 456.572 2.760 30 10 JFEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1740588697 CXXIBZDHTQKIPC-NRFANRHFSA-N 466.561 2.623 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740620382 WDDHQVGWBSVEML-WMZOPIPTSA-N 491.614 2.634 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1740669183 QDEWCZAPMUVTOF-OAQYLSRUSA-N 490.656 2.721 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 1740713607 NTOZSIKLOMUYNN-UHFFFAOYSA-N 481.578 2.884 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740780942 VQNORPJBHBTSQC-MJGOQNOKSA-N 457.575 2.906 30 10 JFEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1740809022 GNMUVVXXWPMGJG-KRWDZBQOSA-N 469.977 2.922 30 10 JFEE C=C(Cl)Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@@]1(OC(C)C)CCOC1 1740816081 UVGDYXWEKSIBGC-HSZRJFAPSA-N 473.961 2.804 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740843214 BISIAYYGYHISDE-IBGZPJMESA-N 464.574 2.938 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Br)c1 1740875735 JAKSKZMAIPKIOE-SFHVURJKSA-N 498.447 2.976 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOCC2(CCC2)C1 1740988360 BQBAPCKBIYAZQX-UHFFFAOYSA-N 451.980 2.601 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740993693 CHTHZXNRSKOENJ-JOCHJYFZSA-N 458.628 2.917 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1740995218 DRGYLNFSRBWLBG-QGZVFWFLSA-N 496.593 2.915 30 10 JFEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)CC1 1746523879 FJUYHXKNMJBAHY-UHFFFAOYSA-N 478.523 2.552 30 10 JFEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1748803542 WCXOXLRWCKMQRQ-WWNPGLIZSA-N 453.587 2.917 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748804835 LYMPYUJENLJIER-APWZRJJASA-N 493.427 2.761 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748804924 MJUKNFSMZQCLMJ-VDZJLULYSA-N 498.527 2.608 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809979 YEIVQXDGSJIERF-GDBMZVCRSA-N 470.426 2.829 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1748810121 SEFPYWVJBJWMFB-LJQANCHMSA-N 485.997 2.872 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748810433 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C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H]1COCCO1 1748944403 VUTSJYUGWROAJR-RDGATRHJSA-N 472.561 2.903 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1748977298 FWBNIZKJCWQQCD-OZXSUGGESA-N 472.678 2.584 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749121698 PAPWSZIMHVPRIJ-ZIPUMODLSA-N 458.559 2.794 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1749127984 QGXCNSQJOUSEDC-WTGUMLROSA-N 489.617 2.887 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1749213838 QHEBKCDATYEIFD-OAHLLOKOSA-N 465.396 2.601 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749222147 ACHUXFOHRISFAA-QFIPXVFZSA-N 481.645 2.764 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749396673 DGAHQKGUGKTOCX-LJQANCHMSA-N 473.647 2.899 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1749413770 YDAPHHHGSKKSJX-MRXNPFEDSA-N 461.588 2.659 30 10 JFEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749421749 PPOSEIGUCYCWSR-UHFFFAOYSA-N 484.420 2.764 30 10 JFEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749461856 XYLLSZLPQSRVOP-HXUWFJFHSA-N 468.602 2.961 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C(C)=O)CC1 1749532533 XCUKZQLQCVPUQL-UHFFFAOYSA-N 484.608 2.877 30 10 JFEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1749645893 HKOARMZEHDWBEG-KRWDZBQOSA-N 470.578 2.661 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCOCC2(CCC2)C1 1749680378 KKZYNIIWEIUBCS-UHFFFAOYSA-N 455.559 2.565 30 10 JFEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cc(Br)cn1C 1749682327 RQICWIBBGKFTCG-CQSZACIVSA-N 481.305 2.869 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC=C(c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1749740462 VVHCBUUXMZJDHD-DEOSSOPVSA-N 472.611 2.825 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](CC)O[C@H](C)C1 1749740989 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1760267005 QUPFZVNYMKXTEJ-UHFFFAOYSA-N 479.928 2.916 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760320150 SNHZWZULDCNOCA-FKBYEOEOSA-N 474.627 2.956 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760325689 RSMGNTVIMVLGHU-KNQAVFIVSA-N 465.664 2.852 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760343239 IBIRKZMJMDBWNM-UHFFFAOYSA-N 481.420 2.919 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760344216 DRRGZQWIJBLMBZ-XXBNENTESA-N 482.629 2.917 30 10 JFEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1760355485 MEDVRYXXDQVRRY-SFHVURJKSA-N 452.559 2.883 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1760431722 ABCUPOLATGPLPF-IBGZPJMESA-N 474.631 2.515 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(Cl)cc1)C1CC1 1760477395 YWSVZOUXSQKZFG-WOJBJXKFSA-N 496.033 2.807 30 10 JFEE 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729335448 OTTWIMIILGKBRF-ZDUSSCGKSA-N 459.412 2.826 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](OC)C(=O)O 757419720 XYUYBGBOUMCUER-VXKWHMMOSA-N 450.491 2.523 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c1 849527279 JTEUYIIPBFLKOA-QFIPXVFZSA-N 472.611 2.997 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)N1CCc2ccccc2C1 1084160289 MEXTZAKUQYBSJU-UHFFFAOYSA-N 482.482 2.744 30 10 JFEE Cc1ccc(NC(=O)CN2C(=O)C(=NNS(=O)(=O)Cc3ccccc3)c3ccccc32)cc1 1084558660 IXMAEVPWFALTOM-UHFFFAOYSA-N 462.531 2.804 30 10 JFEE C#Cc1ccc(C(=O)N(C)Cc2cccc(Br)c2OCCS(C)(=O)=O)nc1 1128179573 OMOJKMCVCBXODQ-UHFFFAOYSA-N 451.342 2.521 30 10 JFEE C=CCc1cc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1OC 1142603055 HTOOZTIPWQJILS-HNNXBMFYSA-N 457.552 2.566 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)C1 1154958565 GSJCBNNUONKMKG-LJQANCHMSA-N 455.580 2.656 30 10 JFEE C=CC[C@@H](CO)NC(=O)c1ccc(I)c(I)c1 1156149336 GPUDXZPWQZXJCC-VIFPVBQESA-N 457.049 2.563 30 10 JFEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C(C)C 1286324418 PCJGPKFEKSZADL-IBGZPJMESA-N 465.645 2.891 30 10 JFEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286357057 DQYDAIDMKPBAEB-KRWDZBQOSA-N 453.522 2.984 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1286380101 BSSOLILCICMASB-UHFFFAOYSA-N 474.005 2.850 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286387067 ABOSAQWPUOMYSO-KRWDZBQOSA-N 493.427 2.558 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1286388299 ZVIXAJGUFNKESP-SFHVURJKSA-N 455.971 2.863 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286390659 BAOXJBGHTLGRTF-AZUAARDMSA-N 492.642 2.871 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286414839 BEJQJVAKMZXVOK-BGYRXZFFSA-N 453.562 2.957 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC[C@@](C)(CC)O1 1286462083 CTRZJJZORNDHPX-WZONZLPQSA-N 474.631 2.672 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1286473506 NWTMUMXNAWLSHQ-NRFANRHFSA-N 454.619 2.694 30 10 JFEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNC(=O)OC(C)(C)C)CC1 1286483598 QOVQTRRNVXARGU-UHFFFAOYSA-N 463.586 2.561 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2=CCCOC2)CC1 1286492372 JGUZWDRTIIDXQO-UHFFFAOYSA-N 463.582 2.786 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286493093 DRLCYSRCAKTTSZ-DHIUTWEWSA-N 492.668 2.528 30 10 JFEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NCC)CC1 1286594103 ZWHSXJDZMQJOAT-SFHVURJKSA-N 461.611 2.820 30 10 JFEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286684247 HCJMZFYZMSLTSO-LJQANCHMSA-N 474.631 2.514 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286707337 CELFMGMIXLOCDT-HNNXBMFYSA-N 492.374 2.950 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286784020 UDLRFAGXSSBCGS-MRXNPFEDSA-N 483.491 2.812 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286792772 HKHTVBBAUJTKEJ-HNNXBMFYSA-N 479.006 2.803 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)C1 1286809745 KUWPMYUQKJKRAD-NHCUHLMSSA-N 455.559 2.827 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(CSC)cc2)C1 1286811110 ZSKRZMLFURSION-VQTJNVASSA-N 462.641 2.873 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2C[C@](C)(O)C(C)C)n1 1290647902 HCNCXJRBQWJFMH-RDGATRHJSA-N 463.586 2.996 30 10 JFEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCOCC2)C1 1299402028 GRNWNPJLYZHHBA-GOSISDBHSA-N 471.583 2.640 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300490947 CUIWZRMHVZPBQA-OAQYLSRUSA-N 482.610 2.573 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300562989 CIEOLVYKEKKZAN-UHFFFAOYSA-N 489.536 2.571 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1 1300665665 NGDNDGDWMHUUJG-SQJMNOBHSA-N 467.618 2.886 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1300717068 XGBUXKHUHJZERQ-HXUWFJFHSA-N 490.029 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=C)Br)CC1 1300731036 KYRAMLVJEJENNX-UHFFFAOYSA-N 483.370 2.603 30 10 JFEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCOC[C@H]2C1 1300742524 LXAIKPGWINZFDV-GOSISDBHSA-N 462.417 2.595 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](COC)C1 1300754591 CRSJHFHPSQDVQK-SFHVURJKSA-N 476.672 2.858 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300797791 HZSCMSRVFJVCLM-BKMJKUGQSA-N 464.614 2.889 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300888047 HMHXMFLFXLZHGD-GHTZIAJQSA-N 453.653 2.756 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300892427 SJHCAAQRXXXOFF-FYYLOGMGSA-N 473.643 2.516 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300895532 ADBVYHXJYCYLFJ-WERVVEIQSA-N 490.649 2.991 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300981173 SGYWMKSMUANURR-UHFFFAOYSA-N 484.601 2.893 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCNS(C)(=O)=O)CC1 1301075503 GYWAABPOMIKHBO-UHFFFAOYSA-N 463.604 2.837 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)NCC(F)(F)F)CC1 1301135255 WZDLRXCNCQDAFN-UHFFFAOYSA-N 453.465 2.947 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301410426 FXWAVEMCMNNOHM-UHFFFAOYSA-N 481.557 2.857 30 10 JFEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1301435632 IBGJNDZWMBDJGZ-INIZCTEOSA-N 453.547 2.977 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1301479265 YAJJAGGMWDUOTP-QGZVFWFLSA-N 481.384 2.603 30 10 JFEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCS(=O)(=O)CC 1301480887 GJCDFGZGSJTXAO-UHFFFAOYSA-N 482.031 2.986 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301520098 BVTGEJVDTTYULX-ILWGZMRPSA-N 452.603 2.921 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](CC)C2)cc1 1301527644 ZMVKDRFSWRCXED-SIKLNZKXSA-N 489.642 2.851 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1301553338 KGQMIHVNDIYVTO-QGZVFWFLSA-N 452.515 2.591 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)C1 1303932964 CZERJTMLRDKKCF-BTYIYWSLSA-N 465.526 2.667 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(OCC2CC2)c1 1358877099 XDZCEUUEMHVTSX-SFHVURJKSA-N 494.621 2.885 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)c(O)c1 1358889894 ILLKQHIBWNLKCP-AEFFLSMTSA-N 471.558 2.807 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(C)CCCS2)c1 1358902938 FWPHFTQHEASHCO-XMMPIXPASA-N 466.611 2.742 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358995178 HZOBXAPTGGVWGJ-HXUWFJFHSA-N 481.469 2.873 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(Cl)s2)CC1 1359030646 AORGBRVDIHRSEB-OAQYLSRUSA-N 450.008 2.643 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2csc([C@@H](C)OC)n2)CC1 1359036778 IQDHMHALHKQZPY-GOSISDBHSA-N 466.611 2.845 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2ccco2)N(C)C)CC1 1359040306 ORFCVXBOISHYQS-QHAWAJNXSA-N 497.644 2.700 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CC=CCO2)CC1 1359041040 LTWGMTXFGNRRLB-UYAOXDASSA-N 467.545 2.868 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1359042943 ZZYXTMDIJWXLDI-UHFFFAOYSA-N 483.016 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1359046195 HYZYBCAUZFKISK-AREMUKBSSA-N 464.614 2.561 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2coc(-c3ccc(C)cc3)n2)CC1 1359047406 FTARFBULLRNCDP-UHFFFAOYSA-N 462.554 2.792 30 10 JFEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359060583 AQFOFWNCZDHGAX-FCHUYYIVSA-N 469.655 2.997 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccc(O)c1 1359076565 FSBJFKAFJKYWLW-STQMWFEESA-N 458.382 2.700 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC(C)C)C1CC1 1359098420 ASBDNFIVXIDSAF-JBACZVJFSA-N 481.663 2.607 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cnccn2)CC1 1359127173 KBYXTJGMIVZHDL-UHFFFAOYSA-N 487.406 2.755 30 10 JFEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 1359139406 SXQBYDDNDDMULZ-KRWDZBQOSA-N 466.483 2.965 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359161160 RUSBSYBNITXHDI-HXUWFJFHSA-N 486.642 2.610 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(CC)S(C)(=O)=O)CC1 1359175823 BCJOEHDMQCINTK-UHFFFAOYSA-N 475.615 2.790 30 10 JFEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(OCC(N)=O)c2)CC1 1359181045 CIGJHNOQENWCCN-UHFFFAOYSA-N 480.594 2.584 30 10 JFEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359219285 MGVCBYPWZZKDBZ-IBGZPJMESA-N 478.391 2.927 30 10 JFEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359284274 DETAMEXQRJQPLE-CQSZACIVSA-N 484.420 2.668 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359294225 OFMIMUVNVAFRPD-RDTXWAMCSA-N 475.475 2.793 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OCC)C1 1359298469 AKEDGRBGJXQGHV-SFHVURJKSA-N 479.585 2.543 30 10 JFEE C=CCNC(=O)Cn1c(N2CCS[C@@H](C)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305897 QCUAZSSFXDFOPO-LUKYLMHMSA-N 464.636 2.681 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359309765 DHJWZNYEPTZIEO-PMACEKPBSA-N 460.600 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359330387 QDMRWIBOQFXYBW-UHFFFAOYSA-N 484.969 2.734 30 10 JFEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359347105 DWUZRBRODACEHI-LJQANCHMSA-N 477.656 2.868 30 10 JFEE C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)N(C)C1CC1 1360583691 HRELJORIYMGUKR-HNAYVOBHSA-N 475.391 2.831 30 10 JFEE C#CC[C@@H](NCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1 1459847648 AIKRBYWOOMWILY-HSZRJFAPSA-N 455.580 2.625 30 10 JFEE C=C(Cl)C[C@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C(=O)OCC 1462155627 JSEBKKQHIPCQEK-NSHDSACASA-N 456.717 2.796 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1C 1503476420 AKXOJBCDRPNMPZ-UHFFFAOYSA-N 452.320 2.721 30 10 JFEE C#CCCCCn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1507573912 KDBKVTXHQDDJEZ-RUZDIDTESA-N 467.618 2.974 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1507627608 FCUNOZPKFKIZFZ-INIZCTEOSA-N 459.572 2.833 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(F)cc(OC)c1 1507710999 NCEPFLCEMPELGP-UHFFFAOYSA-N 479.560 2.734 30 10 JFEE C=CC[C@@H](Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1507927823 FCZSPKCBSNCKEY-OFVILXPXSA-N 453.587 2.992 30 10 JFEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507934581 GULMAVDMPDIMRC-HXUWFJFHSA-N 459.616 2.958 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1508022031 VUCYZURVQZBYKL-HXUWFJFHSA-N 493.580 2.799 30 10 JFEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1508048533 SZYNGBFDBIHPAT-KRWDZBQOSA-N 458.544 2.619 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@]2(CCOC2)C1 1508143867 PDQUKGUCZWPWIN-HSZRJFAPSA-N 460.600 2.692 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1508167578 NQSYBUWHCQACOF-UHFFFAOYSA-N 452.584 2.754 30 10 JFEE CC(=O)N1CCC(Cn2c(N3CCC(CC#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1508206530 IUPWAQZPUIOLQI-DEOSSOPVSA-N 458.607 2.707 30 10 JFEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1)N1CCOCC1 1508848619 BVPBJRYAOJCBPF-OTNCWRBYSA-N 495.672 2.719 30 10 JFEE Cc1nccn1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1511610317 BTPCDJWABZIZPE-DEOSSOPVSA-N 496.641 2.921 30 10 JFEE C[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1512537002 FZEHPSZEPNJWLJ-WMZOPIPTSA-N 486.527 2.894 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3CN(C)CCO3)cc2C1=O 1535488006 DDRBCTFCAWJVRC-LEWJYISDSA-N 453.926 2.924 30 10 JFEE C=CCn1c(SCC(=O)Nc2c(CC)nn(C)c2C(N)=O)nnc1-c1ccc(Cl)cc1 1535867857 NRINQKTTWHLKBD-UHFFFAOYSA-N 459.963 2.910 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCCC1 1539015956 RQXHADBUORYYLE-WOJBJXKFSA-N 460.623 2.920 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCn2cc(C)cn2)c1 1539040216 OLBWJZORMXBEDS-UHFFFAOYSA-N 454.538 2.910 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(C(=O)N(C)C)CCCC2)c1 1539040599 YNPJWRUTJBMAMP-UHFFFAOYSA-N 487.608 2.988 30 10 JFEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539079039 NWJALGMNWWGRIT-WIOPSUGQSA-N 478.641 2.958 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)N(C)C 1539177652 ANKYKPAGPOAPAA-QZTJIDSGSA-N 458.563 2.552 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1539205449 IQHWPTZWJWDRTD-IBGZPJMESA-N 484.578 2.847 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(CC)CC)N(C)C 1539258446 XDRMCTVREAANDS-JOCHJYFZSA-N 459.598 2.631 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539351818 IKUBGSSSHOVTMJ-ZWKOTPCHSA-N 463.007 2.657 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCO[C@H](C)C1 1539417165 YDVLFZKORXXJPE-NJYVYQBISA-N 491.633 2.878 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)cc2F)CC1 1539429581 AJWLYBWUOSYWDK-HSZRJFAPSA-N 461.969 2.915 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC[S@](=O)CC)CC1 1539429791 CKNFZFKVXSTKAW-JGCGQSQUSA-N 468.652 2.901 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C(N)=O)CC1 1539498762 ZROVLPDJRGMGHC-UHFFFAOYSA-N 478.416 2.784 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@@H](C)CC 1539552159 IZLIDVYXWLACAP-GAJHUEQPSA-N 471.631 2.535 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539624754 WCACIAXVJSJBNT-PMVMPFDFSA-N 498.653 2.906 30 10 JFEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539698181 OJHBYRPPLVCWLJ-IBGZPJMESA-N 469.615 2.815 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539778400 AIKCKQVNHHVHCZ-HNNXBMFYSA-N 491.781 2.992 30 10 JFEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)N2CCSCC2)CC1 1539859035 HXQUTJMKGULHMF-UHFFFAOYSA-N 481.619 2.531 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1539966333 IORZTHAKOAXEIT-NRFANRHFSA-N 471.627 2.889 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1540005917 PIEYDQDKZRIVGF-QGZVFWFLSA-N 463.579 2.621 30 10 JFEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)Cc1ccccc1 1540064155 MFGQRSMDBHHHFN-UHFFFAOYSA-N 453.616 2.992 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1540180446 OEWOMAZEFFEKOY-GOSISDBHSA-N 472.640 2.878 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540853575 BDGLHMOJFOIABD-HXUWFJFHSA-N 468.602 2.747 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)cc(OC)c2)C1 1540883123 UNAKVDCNMLWEAS-SFHVURJKSA-N 452.490 2.903 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N(C)C2CC2)C1 1540892546 NLOCRCWWECHCBP-NRSPTQNISA-N 490.649 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1 1540908141 CNVJIVPISKMGMI-KRWDZBQOSA-N 459.482 2.938 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1540908688 LPIRKPTYYGDIQH-LJQANCHMSA-N 477.606 2.662 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)[C@H](C)C1=O 1541565681 ANTDTZTWMMDJEQ-OUDXUNEISA-N 480.613 2.973 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1541984863 DWOLRGLOBMZJEY-JKSBSHDWSA-N 460.579 2.723 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)c1 1543231298 QLMFXAHKQVXYNE-SFHVURJKSA-N 451.527 2.935 30 10 JFEE CCN(C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1)CC(F)(F)F 1547559543 FLGSBGDMGLFNQI-XXBNENTESA-N 491.562 2.594 30 10 JFEE CCO[C@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1547839014 GRFQWEIEVXAOQK-DENIHFKCSA-N 453.526 2.814 30 10 JFEE CC(C)CNC(=O)N1C[C@@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375505 OJNMWZAJAAORCF-SFHVURJKSA-N 451.493 2.946 30 10 JFEE Cn1ccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 1554341276 AIIUHWPBTGJJGN-FQEVSTJZSA-N 462.558 2.896 30 10 JFEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1554770827 BHEHHXKLCPJSTB-DEOSSOPVSA-N 486.020 2.901 30 10 JFEE COc1ccc(Cn2c([C@@H]3COc4ccccc4O3)nnc2N(C)C[C@H](C)C#N)c(OC)n1 1554939659 CEMIBCZSYJDJMI-BEFAXECRSA-N 450.499 2.847 30 10 JFEE C#CCN(CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C(=O)OC(C)(C)C 1556111303 SYFPOXCTETZSOZ-INIZCTEOSA-N 453.461 2.793 30 10 JFEE C=CC1(CC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)CN(C(=O)OC(C)(C)C)C1 1556585167 PTSCREDWRGQKDU-KRWDZBQOSA-N 453.580 2.942 30 10 JFEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@H](CC#N)C2)c(=O)n(-c2ccccc2)n1C 1557461822 HOJCNXLFOOIBCJ-QZTJIDSGSA-N 455.584 2.697 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1587639644 MLNMLMGJWAFIRE-FROAJHJGSA-N 467.636 2.592 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1588035142 PKNGDWJPIWIUPF-RBBKRZOGSA-N 466.611 2.537 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1588059673 RYSNNFZLGHLNJF-QHCPKHFHSA-N 463.607 2.750 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1588074925 UMXAJLBOYUUTCZ-IEBWSBKVSA-N 466.966 2.792 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588090210 SXYCBKFSRSVSDG-QFIPXVFZSA-N 481.544 2.552 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC(F)(F)F 1588110150 XKLQTLAZOFPPJH-UHFFFAOYSA-N 472.240 2.598 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H](C)C1 1588128438 LCABSIHMWAFJAR-WOJBJXKFSA-N 458.566 2.953 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCO[C@@H]1CCOC1 1588134521 ZKBBRNQKRGUIQY-LEWJYISDSA-N 471.602 2.661 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NCC(F)F)CC1 1588742037 MNUAFTMQYGCDSW-KRWDZBQOSA-N 494.974 2.825 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1588761958 COQBMVYCFBLFBP-NRFANRHFSA-N 468.602 2.870 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCCN(C)C)CC1 1588898933 IEUGTPCNAORISU-IBGZPJMESA-N 498.697 2.675 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1589506369 VJTWYQLSXNYROH-GHTZIAJQSA-N 460.600 2.948 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1594497590 JNUZPBMMXPUYKY-OALUTQOASA-N 466.648 2.804 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1594692603 ABEOIKQXCMOEIE-HXUWFJFHSA-N 488.658 2.903 30 10 JFEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1594720247 GSRJSMPFNRQALD-QGZVFWFLSA-N 485.614 2.668 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1594798489 RXWDOZAJKLHIFO-UHFFFAOYSA-N 491.434 2.511 30 10 JFEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1595021150 VKMWXVZAIOPQRD-SFHVURJKSA-N 456.566 2.876 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC2CC2)CC1 1595500988 IDRBNDUVECDZNP-UHFFFAOYSA-N 465.421 2.603 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H]2COCCO2)C1 1595679702 AFEWYYROWSESLH-IAGOWNOFSA-N 466.380 2.633 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595766545 SCTTWYFUKDWJJH-VQIMIIECSA-N 494.459 2.981 30 10 JFEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1611099009 LVEGBGSFLKGSOC-KRWDZBQOSA-N 454.321 2.833 30 10 JFEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCOC1(C)C 1613024486 GVLZHJKXPRKHLB-KRWDZBQOSA-N 452.559 2.778 30 10 JFEE 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30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1286766104 NTFMFXJSPATSOH-FQEVSTJZSA-N 477.631 2.875 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](N2CCCCC2)C1 1286792001 JRGHWHLXRVIXQY-NRFANRHFSA-N 452.603 2.841 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286816315 HAHLLRXNJSOAAE-OAQYLSRUSA-N 484.626 2.573 30 10 JFEE C=CC1(CC(=O)NCc2cccc(OCCN3CCOCC3)c2)CN(C(=O)OC(C)(C)C)C1 1292156063 RDSFONUEKKGRQF-UHFFFAOYSA-N 459.587 2.827 30 10 JFEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1295722022 HTFJNSGCCNPEHV-PKTZIBPZSA-N 479.629 2.765 30 10 JFEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)C(C)C 1295865101 BIZUUDDKOZATGY-NBGIEHNGSA-N 468.602 2.843 30 10 JFEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C 1295983264 HHYWXTUVAWWTIK-MSOLQXFVSA-N 456.616 2.560 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1298285020 AEEGRMRRCLKKPV-OAHLLOKOSA-N 459.519 2.941 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC(C)C 1300275574 WMFRYMVUNVSZMQ-JKSUJKDBSA-N 453.996 2.857 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300482282 DNMDNISSQGZILV-QRVBRYPASA-N 479.647 2.818 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1300485348 ZBZIEWILHKLDSM-IBGZPJMESA-N 490.029 2.532 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300488413 DNVHVYONLGEDDO-ZDPZECHZSA-N 480.993 2.915 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCN1CCOC[C@H]1C 1300656310 CTZXOJXXMOVPLJ-OAHLLOKOSA-N 468.421 2.576 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1300729355 WQPXGGQYSIAGFE-OAQYLSRUSA-N 470.568 2.778 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1301019457 LKIWWVFLNAZORZ-OAQYLSRUSA-N 450.923 2.719 30 10 JFEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1301066545 RXDHRLZUHVUGSP-IBGZPJMESA-N 456.566 2.878 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2cnnn2)CC1 1301134904 CNOUOXLONKSSDY-HDICACEKSA-N 457.583 2.528 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1301163681 LSUPJOIWKIJIMR-FYYLOGMGSA-N 494.640 2.659 30 10 JFEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1301169877 INYUDLYNMBVZGH-UHFFFAOYSA-N 452.603 2.972 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301485633 ZOYKAJINQXAGMK-NSHDSACASA-N 480.310 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301575658 JMKOQTRUFRKUBM-IAGOWNOFSA-N 484.420 2.784 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)Cc2cscn2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301593007 HNWCGEICOXXNQN-IYBDPMFKSA-N 496.659 2.743 30 10 JFEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1302790717 CWOIAKQVWADZRB-LZNRXBQRSA-N 461.563 2.852 30 10 JFEE 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2.687 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1359030376 UZSXNAPCMMPOPX-XMMPIXPASA-N 493.530 2.863 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCOC2CCOCC2)CC1 1359030542 YCPZFDBZQFDXRP-FQEVSTJZSA-N 471.577 2.898 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCO[C@H]2c2ccccc2)CC1 1359047778 SYWWVBNGTURSGN-VWNXMTODSA-N 465.598 2.948 30 10 JFEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359050362 OMVJGZNVQHGBTB-UHFFFAOYSA-N 499.666 2.562 30 10 JFEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCS(C)(=O)=O 1359050845 FCBJBTJCAHFFML-HNNXBMFYSA-N 452.671 2.979 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NCC)CC1 1359079217 BEVDPWSAXVYGLV-UHFFFAOYSA-N 454.760 2.754 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359083865 SOCTWJGYPQOQLY-QZTJIDSGSA-N 465.396 2.799 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1359182613 MVIUHFXOCZCPAM-YADHBBJMSA-N 499.704 2.933 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359293653 WGWOJXLKLWVEGU-ICSRJNTNSA-N 498.653 2.913 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359295861 PPFFHXZNKWGZFU-NVXWUHKLSA-N 489.418 2.691 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359296592 OGBVHESXQWLJDX-UKRRQHHQSA-N 453.465 2.899 30 10 JFEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2nnn(-c3ccccc3Br)c2C)c1 1434931288 ZHCIWDIMBHINOO-UHFFFAOYSA-N 452.312 2.712 30 10 JFEE C=CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 1443533070 VQDQYGFLBVEXFW-UHFFFAOYSA-N 459.534 2.873 30 10 JFEE C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1476012293 BLAWMICYYKNYKP-HXUWFJFHSA-N 457.575 2.761 30 10 JFEE CCOC(=O)c1c(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c(C#N)cn1CCOC 1476378486 IBSFJZAAKGFJMO-XMMPIXPASA-N 453.543 2.969 30 10 JFEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@H]1C 1502262609 BARGEIIQZQTRMN-MOPGFXCFSA-N 453.591 2.562 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CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2282682117 KRKKEFXVIVRAJP-MJGOQNOKSA-N 454.380 2.570 30 10 JFEE CC(C)(C)OC(=O)NC1(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOCC1 2283953975 ZWYGWVAIDUTGPR-UHFFFAOYSA-N 481.424 2.523 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H]1C[C@@](O)(CNC(=O)OC(C)(C)C)C1 2283978562 DEVKNTDLDQIIGC-BCTVQRCUSA-N 460.380 2.899 30 10 JFEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283981080 IFNGCKFIDDFODL-DEOSSOPVSA-N 460.380 2.805 30 10 JFEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C 2283988434 VRYJGCDOMYNXRH-HJPURHCSSA-N 480.436 2.936 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)s1 2283989483 NXHSDKRPSVZGSV-QGZVFWFLSA-N 480.436 2.950 30 10 JFEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C 2284031215 NECLVLHMRIEXRP-QGZVFWFLSA-N 464.368 2.597 30 10 JFEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284033372 IYEWWLMWEOLDOE-DEOSSOPVSA-N 460.380 2.628 30 10 JFEE C[C@H](NC(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2284045298 KYUGKGWWPOFDDW-VHSSKADRSA-N 478.420 2.809 30 10 JFEE C[C@H](NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284050232 YFNOYWNRDMXSQP-SQWLQELKSA-N 481.424 2.692 30 10 JFEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2284054101 XWCMCCWYLOAOSN-BEFAXECRSA-N 460.380 2.803 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@@H]1CCCO1 2284057880 FQESAQIREYSKID-HOTGVXAUSA-N 465.331 2.531 30 10 JFEE C[C@H](NC(=O)C[C@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284061289 VVSPKTMXUXWEAF-OFQRWUPVSA-N 481.424 2.549 30 10 JFEE CN(C(=O)[C@@H]1CCOCCN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2285285000 FLDDEIZZNKULIM-IBGZPJMESA-N 460.380 2.975 30 10 JFEE COc1cc(CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289459331 UWBSZPYENZSYJJ-KRWDZBQOSA-N 478.420 2.921 30 10 JFEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)ccc1B1OC(C)(C)C(C)(C)O1 2289568691 RNUZJXVPYWIXKR-GOSISDBHSA-N 462.396 2.575 30 10 JFEE Cc1ccc([C@@H]2C(=C(O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)o1 2296103213 VXHCFGNFPLMWMW-HSZRJFAPSA-N 476.533 2.836 30 10 JFEE CCn1c(N2CCC(C)CC2)c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461813 NMPZMNYMSZQSAP-UHFFFAOYSA-N 474.608 2.961 30 10 JFEE CCCN(CCC)C(=O)CSc1nnc(C)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321178292 REMZNUUQTULYNL-UHFFFAOYSA-N 462.532 2.889 30 10 JFEE O=C1C[C@@H](c2nnc(SCCO)n2N=Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 2325924762 DUNIFOYHCFEZKX-GOSISDBHSA-N 466.523 2.669 30 10 JFEE COc1cccc(CCc2nnc(SCCO)n2N=Cc2cc(OC)c(O)c(OC)c2)c1 2328660948 PYEZLLCSRNUPQZ-UHFFFAOYSA-N 458.540 2.761 30 10 JFEE CC(C)COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1O 2329045518 UVQICDGFWFVGRC-QGZVFWFLSA-N 459.572 2.882 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2339406059 COAFJKMOCWRCBT-BETUJISGSA-N 450.316 2.616 30 10 JFEE Cc1nc(NC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@H]23)ncc1B1OC(C)(C)C(C)(C)O1 2359389246 OZYUAXLJKPFQTG-IVSAIRAKSA-N 458.368 2.572 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CCC1(C)C 2362461922 MPONTCNNDHDQFC-UHFFFAOYSA-N 462.400 2.581 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C[C@@H]1CO 2364754023 QNQUDJCNJRXGKU-IEBWSBKVSA-N 457.380 2.569 30 10 JFEE Cc1cc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369680044 JEYFQRLHHYCRAM-LJQANCHMSA-N 460.380 2.546 30 10 JFEE C=CCNc1nc(Nc2ccc(I)cc2C)nc(N2CCOCC2)n1 2924942 OBGPTLFCTCSAHH-UHFFFAOYSA-N 452.300 2.963 30 10 JFEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)c1 20527504 QGSKFMNBFVHVAT-PGGKNCGUSA-N 481.460 2.902 30 10 JFEE CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)s1 59016889 OCPCVFBAYCCPSX-REZTVBANSA-N 466.574 2.659 30 10 JFEE CCN(CC)CCCN1C(=O)C(=O)/C(=C(\O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccnc1 103226663 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1153819697 HCLWXLPDTRJTHX-FQEVSTJZSA-N 455.881 2.925 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c1 1188205638 YVSACKGQSWTBSU-SFHVURJKSA-N 459.568 2.885 30 10 JFEE C#Cc1cccc(CNC(=O)NC[C@H](O)COc2ccc(I)cc2)c1 1251873929 JCFSBKQTIYPLPR-KRWDZBQOSA-N 450.276 2.512 30 10 JFEE COC(=O)CC1(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCCC1 1256079556 DTBZZIMRMCXTSQ-UHFFFAOYSA-N 450.543 2.903 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1CCC 1286365518 CITYZFMRZYODQU-FQEVSTJZSA-N 458.632 2.529 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1286383839 OKXAYRGZRDZDKC-SFHVURJKSA-N 456.593 2.999 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286394471 OSWRVGNLJMECDN-SJORKVTESA-N 466.554 2.589 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1286396938 YZEVTWAYJOXOPZ-HXUWFJFHSA-N 482.610 2.831 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1286398319 ILTQUPCGPHTPDT-MRXNPFEDSA-N 467.016 2.958 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286434666 RZHWBANFSRHYCA-RDGATRHJSA-N 450.539 2.667 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CCCC1 1286459527 QEXLRKFPVFBXJG-UHFFFAOYSA-N 482.610 2.574 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1286485458 MJRMMBMOSZEUAX-FQEVSTJZSA-N 492.624 2.682 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1286489534 WQNIFZTXVABYSF-JOCHJYFZSA-N 466.630 2.896 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286508157 JUZASGTZRUHBOY-UHFFFAOYSA-N 474.590 2.973 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1286510777 AVBATLFBZONZDG-LJQANCHMSA-N 491.564 2.946 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1286549290 FCCNAWCTPLCCQN-ADSMNUKGSA-N 469.586 2.906 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286601703 SKKIKCYPUYNKAI-HNNXBMFYSA-N 457.560 2.930 30 10 JFEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1286607481 QHHRQVPTAUEYNY-GGAORHGYSA-N 481.645 2.750 30 10 JFEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286650641 HDUGHVSCOZNIGP-IBGZPJMESA-N 475.615 2.694 30 10 JFEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286675607 QLKWZDZYNOPUAR-UHFFFAOYSA-N 458.582 2.809 30 10 JFEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1286683975 CRZODUUMGIOLQO-UHFFFAOYSA-N 450.385 2.864 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1286726731 IDAGERCDQUGLDD-GOSISDBHSA-N 457.579 2.718 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(-c2ccco2)n1 1286758409 MNNIKRXXTJSLEV-GOSISDBHSA-N 490.611 2.554 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286790708 VRHDHAQMCBIUOC-UHFFFAOYSA-N 499.666 2.705 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1 1286795672 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JFEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1740946777 GRKBZVWHNPENEL-CVEARBPZSA-N 451.543 2.528 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740964090 GWDHRZYKKQDZGC-KRWDZBQOSA-N 453.465 2.544 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740966342 XXIHDEUGSLFDNA-OFVILXPXSA-N 453.587 2.690 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NCC(F)F)C1 1740972309 GOBVAGZGJOBOGC-INIZCTEOSA-N 456.497 2.964 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2OC)C1 1740982019 RJMSFGPBDFTCAC-AEFFLSMTSA-N 466.991 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740988005 QSHYIRSQVBXWNR-LJQANCHMSA-N 475.571 2.586 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740989225 FOJBXDYSEFRGPZ-LJQANCHMSA-N 489.623 2.897 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740989845 ZANALNLFARECHB-LJQANCHMSA-N 459.616 2.677 30 10 JFEE CC(C)N(CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C(C)C 1741620794 FVPJXPBDDYNDMX-UHFFFAOYSA-N 496.635 2.857 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1748752287 UQNCKLBBTIDBKY-PKOBYXMFSA-N 493.427 2.934 30 10 JFEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1748753353 FTVHAECIBMWXOU-GOSISDBHSA-N 458.557 2.597 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748802114 LIRARMAJSBIQRP-MOPGFXCFSA-N 474.627 2.926 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748809326 SEPBAHBDCNEHAX-OALUTQOASA-N 491.411 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2ccco2)N(C)C)CC1 1749016702 LIADVWNHVVELHR-JOCHJYFZSA-N 478.572 2.870 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)CC1 1749342741 NGMFYKFDLMKCMU-INIZCTEOSA-N 452.527 2.940 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1 1749683431 SSJOIAJDEWYPMQ-NRFANRHFSA-N 495.628 2.612 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1749690121 NGRSIJSCOSSZJR-UHFFFAOYSA-N 461.492 2.976 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1749690374 QVJKRQHIVOLAEE-UNMCSNQZSA-N 455.603 2.942 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 1749708320 JNURSNUTJKRFKU-KURKYZTESA-N 462.595 2.514 30 10 JFEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1749754978 UXBCTSHRPDKXMS-FQEVSTJZSA-N 486.617 2.820 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)C1 1749792337 QFYSVVCUJQTMPI-FGZHOGPDSA-N 466.586 2.565 30 10 JFEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C 1749873323 FLGHWQKPZRNVRG-FKBYEOEOSA-N 495.672 2.861 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCn2cc(Br)cn2)n1 1751837768 FQQABSOJGNFCJV-AWEZNQCLSA-N 460.384 2.785 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCC(C)CC1 1760103174 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C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(F)c(COC)c2)CC1 1760268035 KGRWWBMPJLINPZ-UHFFFAOYSA-N 464.545 2.583 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C/C=C\CC)CC1 1760273357 QBLPDTHKJVMGMT-CVBPSMBISA-N 470.618 2.981 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760285426 GGROQIVCTCWSRI-UHFFFAOYSA-N 474.606 2.993 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1760290723 OCCCPEQFZMXVMN-RTWAWAEBSA-N 477.407 2.972 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F 1760338245 ZTNAGBHJYKCVFG-INIZCTEOSA-N 491.511 2.618 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1760346429 YXHZSBASNFPQAS-LJQANCHMSA-N 484.605 2.588 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1760381217 DBWZBDZSCPCRRH-UHFFFAOYSA-N 478.018 2.985 30 10 JFEE C=C(Cl)Cn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760388346 RJNCGWAKKBRZHZ-LJISPDSOSA-N 453.927 2.915 30 10 JFEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)N(C)CC)CC1 1760400738 LTTMDBJMBBSXFJ-UHFFFAOYSA-N 463.586 2.946 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760406691 JQOSAIQJISUAOE-MAUKXSAKSA-N 464.640 2.540 30 10 JFEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760462646 FQYAYTRMCKXDLL-UFVMTTLYSA-N 485.589 2.541 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1760514997 IXPGEBVVCGLHKH-NRFANRHFSA-N 489.349 2.575 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760526281 JTMVFAOKMWFVCL-UHFFFAOYSA-N 463.586 2.889 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(C)C)C2)cc1 1760529370 DSARNELITZEOSM-UNMCSNQZSA-N 489.642 2.706 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1760532883 IBSOQSQFVPAXRI-RBBKRZOGSA-N 489.642 2.849 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc(Cl)cn2)C1 1760536158 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465.620 2.940 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1286748738 ZWTKSKREJBFKPN-MJGOQNOKSA-N 461.563 2.528 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(=O)NC)C1 1286803446 HWZHHOHXYFRMSU-OAHLLOKOSA-N 464.364 2.634 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286811810 GAOQNCYMHDVWME-APWZRJJASA-N 466.991 2.727 30 10 JFEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 1286941255 IEFCAVYGJPDMPI-QFIPXVFZSA-N 489.580 2.779 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCN(C)c3ccccc3)CC2)c1C#N 1290576349 CYQOSZPQYSODPO-UHFFFAOYSA-N 461.618 2.952 30 10 JFEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1293307546 GEGGYBXAAZKIDQ-YLJYHZDGSA-N 474.656 2.820 30 10 JFEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)cs2)CC1 1295016834 CIGLGJMILBGWKU-UHFFFAOYSA-N 485.639 2.928 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1300344628 FVASGPCBMUMIEK-UHFFFAOYSA-N 481.578 2.708 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1300586648 HECJMKKAPZFQCJ-UHFFFAOYSA-N 467.545 2.765 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCNC(C)=O)CC1 1300712437 SFPWIIWTBDDCIT-QGZVFWFLSA-N 487.004 2.564 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1300751047 DGHROPPWYFSVHE-QGZVFWFLSA-N 455.584 2.733 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1300779622 ZMNFDQAECKNQDX-OAQYLSRUSA-N 470.459 2.969 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1300889547 QZHFHWINALAXNH-OHCHIEETSA-N 482.629 2.613 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300891023 XBRFGRKLPUQLDU-ZOCZFRKYSA-N 468.570 2.998 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300891079 XMRKNKWFUAHEIR-PXDATVDWSA-N 484.620 2.636 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301019503 UXQWLKCVCYMOLH-WBMJQRKESA-N 455.788 2.945 30 10 JFEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301028857 CCBFEIBSPPNOMW-HNNXBMFYSA-N 467.979 2.534 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301482287 UIONCKCRSHQLMN-HKUYNNGSSA-N 486.592 2.991 30 10 JFEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)C)CC1 1301530964 BYCRUMYIQHIYOQ-UHFFFAOYSA-N 452.603 2.980 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1301588027 BKYBMDANMLSWRP-CVEARBPZSA-N 453.634 2.908 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1303457217 HHPZXTRBIPXQPX-FPOVZHCZSA-N 453.566 2.602 30 10 JFEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1314773676 DUWQPNAGODJZGW-UHFFFAOYSA-N 452.950 2.899 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(C)c2)c1 1358901493 MVIQQNURVAOOII-UHFFFAOYSA-N 460.929 2.832 30 10 JFEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1358924249 QLYLJARHWRCDAC-CQSZACIVSA-N 455.353 2.883 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1358955543 NZYDDNOIKRHXJT-KRWDZBQOSA-N 499.559 2.781 30 10 JFEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1359038314 RDDUJXWNUSUIES-UHFFFAOYSA-N 460.504 2.531 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359052603 KKZGKQGVVFPKLX-HSZRJFAPSA-N 452.584 2.806 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1359065495 RWGPBMJSRSJGQB-FGZHOGPDSA-N 452.621 2.524 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359092850 GYPXMCANZUYSMZ-SXLOBPIMSA-N 475.571 2.848 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1359093991 VRDOIJMOILPDAX-AEFFLSMTSA-N 453.996 2.565 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1359255264 SZVDWUIAYSHPSL-HXUWFJFHSA-N 462.554 2.916 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C1CC1 1359257121 ZSCNFZIUNNPKDK-NQIIRXRSSA-N 468.627 2.727 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359258464 RHBZMDCJXHPUIT-NHCUHLMSSA-N 459.616 2.789 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359293593 UURGNNWDEIBXIP-WOJBJXKFSA-N 459.616 2.526 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359295632 IQKGILDDJUYVRA-DFFLPILJSA-N 463.941 2.813 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359303875 DFEAPLKAHDUSOO-UHFFFAOYSA-N 480.960 2.722 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1359307608 PNOJVERTPHKPBE-SFTDATJTSA-N 489.642 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1359334295 ZSQZVALTAIXWED-HXUWFJFHSA-N 460.531 2.780 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)n1 1475856772 UMBQVSDCZHALBL-UHFFFAOYSA-N 458.994 2.992 30 10 JFEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1)OC 1497210696 IBHJBUDNTKEALB-SFTDATJTSA-N 451.575 2.824 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N1CCSCC1 1507517249 PCWIJUPNSJDURS-AZUAARDMSA-N 491.683 2.871 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1507519291 QUBIZRJZOLXOCU-RZPFDVGOSA-N 467.614 2.679 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCN(CC)CC2)c1 1507548543 AOEXXEKEZUKQIW-OAQYLSRUSA-N 488.640 2.603 30 10 JFEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N1CCSCC1 1507601013 CDGWGUKPKFAKIF-INIZCTEOSA-N 484.047 2.520 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507633465 SOTOPSKFRZDZGD-LUKWVAJMSA-N 491.702 2.905 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507640812 WMHLZANLJYMINR-HXUWFJFHSA-N 497.646 2.529 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(NC(=O)OC)c1 1507648585 QBKPURYTJWCLPH-UHFFFAOYSA-N 491.577 2.538 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1507661427 VKONDFBIWBKFRS-ATIYNZHBSA-N 497.665 2.917 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1507718565 QBLGYTNXCZXZQY-HXUWFJFHSA-N 478.975 2.710 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1507769464 HSDFSFSUVRZCBP-HXUWFJFHSA-N 496.431 2.503 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)COC)CC1 1507799484 WQLCQYTUHSJZSU-GCJKJVERSA-N 484.557 2.566 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC(C)(C)C2)CC1 1507897065 MALNVRYZFOXOMM-UHFFFAOYSA-N 473.643 2.862 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1)c1ccccc1 1507924981 WQAPMVOFOKQBII-AZUAARDMSA-N 490.630 2.527 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@H]1OC 1507998621 HTTIJBKLCCTSCN-FCHUYYIVSA-N 464.570 2.516 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nncn1C 1507998944 GWOYMXLNSDLRGG-XMMPIXPASA-N 462.558 2.560 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2ccccc2OC)CC1 1508062210 XKFRNYQWKLYPRP-UHFFFAOYSA-N 452.584 2.786 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508073303 JHIKAGWOIADGBG-INIZCTEOSA-N 474.009 2.673 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CCCO)CC1 1508077233 LNLWPZLUYPKJBH-UHFFFAOYSA-N 462.392 2.999 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1508114967 GTNZYGAOCUMROR-NBGIEHNGSA-N 471.602 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cccs2)CC1 1508144236 OGLLFEUUQPCFAC-UHFFFAOYSA-N 487.651 2.866 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1508212692 DURYTEOHFHMVKZ-OAQYLSRUSA-N 464.618 2.718 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(COc2ccc(F)cc2)n1CCC(C)(C)O 1512364452 DBKFKQOWLVQEBX-QGZVFWFLSA-N 480.548 2.534 30 10 JFEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2F)CC1 1519108657 GVGCFHJUMIHJTI-UHFFFAOYSA-N 478.576 2.646 30 10 JFEE CSc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)ccn1 1520057696 DMCBRLKYOFJMKK-IBGZPJMESA-N 468.608 2.853 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1539194046 QMMMFZDYOSXBOD-OAQYLSRUSA-N 478.622 2.630 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(NC(=O)CC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539231768 WDLVTTSDSODRFD-FGZHOGPDSA-N 499.637 2.789 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539285617 MZYBSOVZMUXEAB-SESVDKBCSA-N 496.637 2.731 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(F)ccc1F 1539409014 LQNFZUNUJTZSPO-UHFFFAOYSA-N 474.537 2.651 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)n1 1539424522 SBBYELFBKDRXTK-XUZZJYLKSA-N 473.581 2.851 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](COC)OC)CC1 1539430192 HGAMBIWQKWUTIM-HXUWFJFHSA-N 466.611 2.794 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539438220 RXXTUXPSEQZSKS-BZZOAKBMSA-N 487.608 2.524 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539646607 YYPYBTCNSIBHFV-MBDNFAEBSA-N 490.649 2.567 30 10 JFEE Cc1c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)nnn1-c1ccccc1Br 1540583046 GZSBCWAWEWVCJB-UHFFFAOYSA-N 452.316 2.567 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1540872753 ZOBFEFUTNZWLOQ-JOCHJYFZSA-N 481.519 2.709 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540902574 MHQZIYVRRPPZLJ-KRWDZBQOSA-N 453.609 2.592 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540910867 ONJBMFLSTJAGNB-HLAWJBBLSA-N 491.683 2.976 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1(OC)CCC1 1545921020 GPZDDRACIGOKRF-GOSISDBHSA-N 495.632 2.532 30 10 JFEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1547776506 IDLIJBIBIGGFPE-RBUKOAKNSA-N 455.538 2.718 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCCCCCC3)n2CCCn2cc(CO)nn2)cc1 1555990672 FVBLVHITAQXMGX-UHFFFAOYSA-N 450.547 2.673 30 10 JFEE N#CCCN(CC1CC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1 1555993700 CPHAMYAFPPIMOR-QFIPXVFZSA-N 475.018 2.860 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588040765 QFQLCUAEEPPYOZ-JOCHJYFZSA-N 457.644 2.865 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(C)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1588053721 HQXJOSTYWAMDDV-AZUAARDMSA-N 478.565 2.959 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCSC2)CC1 1588961799 MPFSHKHJZKFXLZ-LJQANCHMSA-N 453.612 2.884 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1589215831 FKNHSMMZZXBUQY-NTKDMRAZSA-N 486.573 2.761 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1589731380 JKAIEFMRFWODSO-WZONZLPQSA-N 475.615 2.546 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1595075899 NRPBOZRQGKJDNQ-FQEVSTJZSA-N 469.586 2.655 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1595659099 SCCNBRQGPBCENJ-UHFFFAOYSA-N 462.554 2.557 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595830435 BRTPGRMACBEMRO-GCJKJVERSA-N 454.637 2.792 30 10 JFEE CC(=O)Nc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1596304730 FRNNWGVNXMNKRH-QHCPKHFHSA-N 462.489 2.568 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1596830779 FCDUSVBWHCNFQW-OLZOCXBDSA-N 472.434 2.843 30 10 JFEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1608584156 CSPGPLKEGVFMBB-CQSZACIVSA-N 451.533 2.783 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1CCS(=O)(=O)CC1 1617907459 FBENUIWIOFDZEY-UHFFFAOYSA-N 450.568 2.597 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1618507833 ICHNNUDEZBZAIO-UHFFFAOYSA-N 464.599 2.681 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(F)cc3F)C2)c1 1630454400 NRYTXDPGJLKMOG-VQTJNVASSA-N 461.486 2.791 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C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588045612 NKLDFIHYPFRBRN-PMACEKPBSA-N 473.618 2.975 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1588049461 GTGQPOWJUDUORT-NRFANRHFSA-N 465.579 2.802 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1588049465 GTGQPOWJUDUORT-OAQYLSRUSA-N 465.579 2.802 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588064308 FXSUBJUBFIXCRD-KNQAVFIVSA-N 464.657 2.744 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(N2CCCCC2)c1 1588099717 XBOXNTCLLBQKQJ-UHFFFAOYSA-N 488.617 2.855 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)N1CCSCC1 1588105159 NQSNDSXKIITPEQ-UHFFFAOYSA-N 485.679 2.694 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(=O)(=O)CC 1588198224 LJWQKDJGGIFCII-UHFFFAOYSA-N 454.383 2.654 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCCOC2)CC1 1588741673 GREIVZRKATYQNF-RTWAWAEBSA-N 453.587 2.999 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCc2cn[nH]c2)CC1 1588908564 SRRBVZKJRGPZIT-UHFFFAOYSA-N 482.386 2.639 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCOc2ccc(C)cc2)CC1 1588923902 POVGEXLNWDYGMG-UHFFFAOYSA-N 475.597 2.812 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 1589578103 GCOUEWMIXHWCQJ-XSLAGTTESA-N 474.524 2.877 30 10 JFEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 1593775695 CCXTXFQWMHCHCH-UHFFFAOYSA-N 493.656 2.654 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(OC)ccc2OC)C1 1595673774 JDUTYDTUMDFSKB-IBGZPJMESA-N 464.526 2.772 30 10 JFEE CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)cc1OC 1614998750 DNHCMGYQVHUVDA-KOSHJBKYSA-N 472.565 2.905 30 10 JFEE Cc1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(NC(=O)OC(C)(C)C)c1 1623990079 AWXCJHOCCSNDDU-UHFFFAOYSA-N 458.540 2.808 30 10 JFEE C=CC(=O)N1CCC(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)(c2ccccc2)CC1 1632533214 PMFCTRACFIVMMN-QUCCMNQESA-N 452.555 2.608 30 10 JFEE N#Cc1ccc(-n2ccc(NC(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)n2)c(Cl)c1 1670162581 ARHIIINWSXFXEA-UHFFFAOYSA-N 452.858 2.929 30 10 JFEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)[C@@H]1CCCO1 1671889447 GTPHCIZHXFPEBE-PKTZIBPZSA-N 459.612 2.931 30 10 JFEE C=CCn1cc2ccc(NC(=O)NCc3cn(C4CN(C(=O)OC(C)(C)C)C4)nn3)cc2n1 1673220190 AARFMJMCXIBCLB-UHFFFAOYSA-N 452.519 2.927 30 10 JFEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1c1ccc(Cl)cc1 1681226281 DQYNAYPJABKJFQ-LULLPPNCSA-N 476.961 2.997 30 10 JFEE C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1686264713 BSXKMZLMXBWZGC-MSOLQXFVSA-N 457.356 2.882 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)n1 1687270530 GXYAJPRLINJQKM-PBASOCQRSA-N 459.591 2.851 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(C)n1 1689831825 SAIMTRWIGWHMTK-QGZVFWFLSA-N 451.600 2.951 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689993772 LBLHCKAYDYSMCR-HXUWFJFHSA-N 485.635 2.512 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1(CS(C)(=O)=O)CC1 1690011297 JNIXQQQIQUWUEZ-UHFFFAOYSA-N 461.385 2.605 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCC(F)(F)F 1690019653 OBSCYIFGHZGSLO-INIZCTEOSA-N 487.548 2.955 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(CSC)cc2)CC1 1690154629 VEIXAPAIJINCPB-GOTSBHOMSA-N 497.665 2.879 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690177217 NRJGXXZAWJHLQI-OAQYLSRUSA-N 455.628 2.545 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1 1690236590 OUFNXVGOZGLCKH-WIYYLYMNSA-N 456.566 2.863 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCNS(C)(=O)=O 1690240305 DNHLLMJEMYNRSZ-WMZOPIPTSA-N 498.447 2.674 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690280050 UIRDQKWJMOSKFV-GDBMZVCRSA-N 465.348 2.653 30 10 JFEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)c1ccccc1 1690321417 AZJMTVQBPWSMMJ-PKOBYXMFSA-N 485.614 2.752 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)Oc2ccccc2F)CC1 1690375692 RAXVEHPBNFKWOQ-GHTZIAJQSA-N 493.605 2.764 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690471233 XZUOBHLYVZBFQX-IBGZPJMESA-N 460.604 2.631 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1690609690 XGWWVTHKHHJLED-NSHGMRRFSA-N 481.594 2.577 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1noc2c1CCCC2 1690613270 BEIYFMQYBSXZEF-UHFFFAOYSA-N 471.583 2.903 30 10 JFEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)Cc1cccs1 1690644374 HOQZNSNZLJMXLL-SFHVURJKSA-N 463.585 2.658 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690676389 YQXIVZYSRHKMQU-GHTZIAJQSA-N 471.602 2.697 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690681456 QGSVIMSKWINDBD-YLJYHZDGSA-N 466.586 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690719522 OANKLZQCSVRTGB-HXUWFJFHSA-N 478.615 2.814 30 10 JFEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1692376101 FLINJKOTJPYQFH-FQEVSTJZSA-N 473.599 2.676 30 10 JFEE CCOC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1696369073 GUQUUYWTKIWTPY-GBXCKJPGSA-N 455.559 2.787 30 10 JFEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1698334480 DCAXLVSZWWTFQY-MOPGFXCFSA-N 467.643 2.701 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(Cl)cn2)c1 1705504123 NJRIBUIFJGFLDK-XMMPIXPASA-N 497.987 2.537 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCCCC1=O 1705504260 RCTHLEWINSEDML-GBESFXJTSA-N 458.607 2.909 30 10 JFEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1705533402 XFFUHUXPAQNYJB-QFIPXVFZSA-N 464.614 2.963 30 10 JFEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705538007 XQVTWBBZJHWCBY-UHFFFAOYSA-N 482.604 2.934 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1705571922 LIQTVNZSHOJCNQ-IPMKNSEASA-N 468.689 2.965 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705572085 QFGIOBLOLPKUQF-DUXKGJEZSA-N 492.045 2.713 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC(C)(C)C1 1705586180 YBAWIOXBKGGTIF-UHFFFAOYSA-N 486.414 2.803 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCOCC1CCOCC1 1705594205 UMLQXUVFGXUIKL-UHFFFAOYSA-N 450.539 2.970 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C 1705628134 YENPTCZSZLFRSW-LJQANCHMSA-N 490.649 2.641 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1705636046 WAWZJALBJNRMGM-UHFFFAOYSA-N 464.517 2.762 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1705637438 XLLCVGXZPCAEGB-NRFANRHFSA-N 463.586 2.875 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1705733471 OPTJQRFGPWDXSX-UHFFFAOYSA-N 484.601 2.939 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1705819391 KOTKFPAZRZOHKG-VAMGGRTRSA-N 463.579 2.519 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705901972 BBXOHLBRVKIBMM-OAQYLSRUSA-N 463.586 2.647 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1705907054 YOQFQHSUGXWFRG-KRWDZBQOSA-N 453.465 2.544 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)C1 1705931528 SEEPHUGADDTZCI-UHFFFAOYSA-N 469.405 2.924 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705932821 LAQBBKITTSSQAY-IBGZPJMESA-N 476.990 2.511 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1705937992 KIXKVHGUFHGWAQ-LJQANCHMSA-N 478.590 2.850 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(O)c2)C1 1706157896 GKZNTIJVDPYDGM-ICSRJNTNSA-N 468.558 2.875 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2csc([C@H](C)OC)n2)CCOC1 1710456700 DRVFCRKPXTYEGU-VHKYSDTDSA-N 450.540 2.584 30 10 JFEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1712685980 ADDYRGMJBGMTCX-NRFANRHFSA-N 472.546 2.528 30 10 JFEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC(F)(F)F)C1 1712875243 AUKNVXUHDIIAQZ-AUUYWEPGSA-N 452.412 2.661 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722325300 ILGSUCAKRDARJO-WZONZLPQSA-N 458.584 2.536 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1722360251 FRTHVUHKAMWDST-IBGZPJMESA-N 487.532 2.811 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722370824 FDECPQDNAMNGHJ-SVFBPWRDSA-N 461.676 2.614 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cc(Br)cn1 1722377269 VGDQQNPUTZLJLL-UHFFFAOYSA-N 469.343 2.694 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(-n2cncn2)nc1 1722401385 VVNSWJLWBFDCCO-UHFFFAOYSA-N 466.549 2.961 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722467152 NIJDBEVLSJTPJF-RQXXJAGISA-N 451.637 2.722 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1722588368 RHMKKWZXHDXWML-MRXNPFEDSA-N 477.591 2.729 30 10 JFEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722652632 LQZHVHWMFWTINO-OAHLLOKOSA-N 451.543 2.583 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722675220 YINRGWQNBFOJEH-SLFFLAALSA-N 488.633 2.656 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722695873 SOFDZBQQFUZLRW-INIZCTEOSA-N 478.340 2.823 30 10 JFEE Cc1ccc(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@](C)(O)C(C)C)cc1 1724433223 AEIFHSAAFVQDDR-IBVKSMDESA-N 490.612 2.949 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1729396624 HDAXOMRHGUJCBS-HXUWFJFHSA-N 457.600 2.774 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1740607108 DQHWGPFQHUZWDF-UHFFFAOYSA-N 490.656 2.723 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1740620716 QYRNYUAGOLFQFP-HXUWFJFHSA-N 467.595 2.935 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1740622084 TYFBQJFKVVFRDC-MRXNPFEDSA-N 491.520 2.558 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2nncn2CC)CC1 1740697876 OHNMZRLQQZJZEQ-UHFFFAOYSA-N 489.809 2.776 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1740704272 KXOMKIUKQTZZEF-UHFFFAOYSA-N 483.617 2.506 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CCOCC)CC1 1740746682 VXLUYYIBOMJWGX-UHFFFAOYSA-N 464.408 2.945 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740781992 RAFKRAPSYDTDKC-IBGZPJMESA-N 463.586 2.994 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NC1CCCCC1 1740941492 MIWVEPCGIATZTJ-OAQYLSRUSA-N 455.559 2.878 30 10 JFEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)(F)F)CC2)no1 1744463865 CLTZMGPTNYADEN-UHFFFAOYSA-N 460.464 2.689 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)C(C)C)c1 1748694813 PCZDTDZVPKTHQG-MHZLTWQESA-N 485.592 2.980 30 10 JFEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1748724282 QLJBDLXBZGMFLE-PXDATVDWSA-N 489.624 2.521 30 10 JFEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1748747240 FHXQQFPBNOCPHC-IBGZPJMESA-N 463.586 2.944 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1748752382 WCEJZFFOWSZIBQ-KRWDZBQOSA-N 473.555 2.550 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748814936 LUUVWQCISBFLJK-PXNSSMCTSA-N 464.538 2.667 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1748815590 RSBGVTQKUNWDJM-CQSZACIVSA-N 496.540 2.799 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1748858674 GUVGEQQBKUWIGJ-MHECFPHRSA-N 453.543 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCOCC(F)(F)C(F)F)CC1 1749010298 LLIBCUZUUPEJRX-UHFFFAOYSA-N 467.467 2.828 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCC2)CC1 1749010767 PQZPUAKANAGZOM-UHFFFAOYSA-N 462.598 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469.652 2.610 30 10 JFEE C=C(Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1286619039 MFUBFIAQTXSXSZ-REWPJTCUSA-N 460.600 2.655 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286716695 PWJYEXPEMXQJPZ-YUMYIRISSA-N 461.651 2.946 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O)C1CC1 1286734516 BWGXXXHAAKFPEY-UHFFFAOYSA-N 453.568 2.559 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1)C1CC1 1286737735 OGQRVSLYBRZSLK-NQIIRXRSSA-N 459.616 2.878 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CC1 1286740594 QRXHPQQTZAHSCP-LJQANCHMSA-N 460.600 2.951 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286774995 UOXFAHZLGNGCET-UHFFFAOYSA-N 454.579 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(COC)CC1 1286779347 GSRPPTBTFTXNKM-UHFFFAOYSA-N 465.396 2.601 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1286794264 BCNICZNWWUADJB-IBGZPJMESA-N 453.568 2.967 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286799658 YJTUEBMCNBIAAU-QYXIYQDXSA-N 469.586 2.578 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1286818978 VLBAMZOYMAJLRH-UHFFFAOYSA-N 490.630 2.777 30 10 JFEE C[C@H](CC(=O)N[C@H](C)c1ccc(Br)cn1)/N=C1/NS(=O)(=O)c2ccccc21 1297272994 HYSZXVSUQFDMGN-VXGBXAGGSA-N 451.346 2.539 30 10 JFEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)C1 1299032238 FDHWBSVHTDSGLE-YIGJPRQDSA-N 452.559 2.506 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1300488080 ALXNSNRIMQIPCM-IBGZPJMESA-N 451.577 2.862 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1300555061 RTRULPPNUZTAIP-IBGZPJMESA-N 479.585 2.891 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(=O)NCC 1300558776 BONKQECWKJZDSV-UHFFFAOYSA-N 459.392 2.671 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2scnc2C)CC1 1300710594 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C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)N1CCCC1 1359010697 WVFJEGHNLXLWPY-WOJBJXKFSA-N 460.623 2.920 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(C)=O)cc1 1359026089 KGROVFWHGPRTQW-UHFFFAOYSA-N 457.538 2.609 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359051554 ASQPOURGRAFBPK-HXUWFJFHSA-N 451.017 2.980 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(S(C)(=O)=O)CC1 1359093450 NRVTUMBPQXIGFG-YLJYHZDGSA-N 475.571 2.848 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)NC(C)C 1359095884 TZEUFWKFGSRGQQ-XMSQKQJNSA-N 457.575 2.904 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(N)=O)CCOCC2)CC1 1359182449 HAHSUEZNYPWBCE-KDURUIRLSA-N 488.633 2.733 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359223092 ADENWBGRQSHNNF-LJQANCHMSA-N 478.391 2.642 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(CC)c1 1359300226 WUNWDAGLTODDOP-LJQANCHMSA-N 486.621 2.548 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)c(OC)c2)C1 1359321855 MUDMBQRDDYRXGX-ZWKOTPCHSA-N 481.018 2.866 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@](C)(C(=O)NC)C1 1359328336 ADJLCISECHIGTJ-HJPURHCSSA-N 491.683 2.695 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3c(C)cccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335787 VAIRTMIJQBUDPW-XMMPIXPASA-N 474.627 2.791 30 10 JFEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)CC1 1359400234 FUYQWEIQVZENEP-UHFFFAOYSA-N 461.570 2.989 30 10 JFEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1cccc(Br)c1 1442936480 UTOAGNZZWUWDQY-INIZCTEOSA-N 452.349 2.602 30 10 JFEE CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)s1 1463615688 ACLDGFDQBQZXMW-ZDUSSCGKSA-N 452.989 2.981 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507569553 GJTMAZFTEZYPCG-UHFFFAOYSA-N 456.616 2.768 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628886 YVBJFJDSDVXABP-PMACEKPBSA-N 462.019 2.565 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507634867 NWOMBNCNVXRBSG-LJQANCHMSA-N 484.651 2.633 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1ccccc1 1507641421 FMXMUERHKAPTBY-RUZDIDTESA-N 476.606 2.527 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCCS1(=O)=O 1507677227 WHCPUMUJWLHRPN-NRFANRHFSA-N 454.596 2.850 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1507724197 KGYOWPVWEHQZHL-UHFFFAOYSA-N 492.628 2.529 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)COc2ccccc2OC)CC1 1507726874 MILRNCONNMDHPY-FQEVSTJZSA-N 477.613 2.619 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCCCC)CC1 1507732019 BKFCZTJDNHLGQI-FQEVSTJZSA-N 460.623 2.922 30 10 JFEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507787589 FTWLIJYOSJLNQB-UHFFFAOYSA-N 491.419 2.668 30 10 JFEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCC(NC(C)=O)CC1 1507870062 CQHRDHXHQWUMRA-UHFFFAOYSA-N 450.996 2.906 30 10 JFEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507958572 XACDIYZQTBDLJV-UHFFFAOYSA-N 498.447 2.772 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN1CCOCC1 1508005624 SYDBQXWCCBLTTL-LJQANCHMSA-N 453.566 2.979 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1508024756 LEVKFCDGCVVZQQ-OAQYLSRUSA-N 475.391 2.930 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2O[C@H]2CCOC2)C1 1508109312 QFOSVPFQSJQWDX-SFTDATJTSA-N 469.586 2.722 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OCC)c2ccccc2)C1 1508122206 CURXYTYJSKOFMV-NJDAHSKKSA-N 460.600 2.739 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1508134616 HCLJMWQGSDWATD-QHAWAJNXSA-N 471.627 2.668 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1508148888 YGSUGCZYJQFSDQ-GBAJDQEWSA-N 474.627 2.985 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)C1 1508195374 BQGUUTKIUOBATO-JOCHJYFZSA-N 473.581 2.980 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30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1539700104 ODTLMOXEZKVDLU-GOSISDBHSA-N 452.559 2.881 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1539874927 RRYIXKSCZUVQGG-AWEZNQCLSA-N 488.536 2.675 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1540179873 BVJBWOIBNRHVAB-QFIPXVFZSA-N 487.670 2.526 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1540180809 VRBDRYOACIROJZ-OAQYLSRUSA-N 459.616 2.790 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1540898559 NPKJPOKZQMFDLR-HKUYNNGSSA-N 470.599 2.940 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)c1ccc(C)cc1 1540901454 DVMCRZVAJSWIKT-UHFFFAOYSA-N 488.639 2.915 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@](C)(CC)C1 1540908139 CLNVUOLHCYSPSR-NRFANRHFSA-N 452.552 2.602 30 10 JFEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1541623748 DJYUQRIQDWHZRK-DEOSSOPVSA-N 492.672 2.680 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C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722684948 DVGOMONMVRUPTH-OALUTQOASA-N 493.612 2.619 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C)(C)CC1 1722697002 GPUNPHGRNHKOEK-UHFFFAOYSA-N 463.586 2.994 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)NC(C)C)C1 1722712493 STVLPHWXMAQTKU-KRWDZBQOSA-N 458.588 2.536 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CSCCS2)C1 1722720310 KBDXMXDYFCDFAM-HOTGVXAUSA-N 465.670 2.900 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCS(C)(=O)=O)C1 1722723149 VJMNUJXJCSXXEB-HNNXBMFYSA-N 475.398 2.990 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCC(=O)NC 1722724211 QIWBBZVVODOYIW-UHFFFAOYSA-N 482.031 2.986 30 10 JFEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1ccc(F)cc1Br 1722737062 RLSFVZFOLIEDKS-UHFFFAOYSA-N 469.340 2.925 30 10 JFEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)cs1 1727464503 DFRMNMOCXBCNOV-LJQANCHMSA-N 485.639 2.896 30 10 JFEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)S(=O)(=O)CC)CCS1 1727799340 AXNRTSDLGYWIIX-LJQANCHMSA-N 462.645 2.820 30 10 JFEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1728352532 BDNZCNMTOFXTQX-IBVKSMDESA-N 496.612 2.762 30 10 JFEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1730772306 FYQCRSFNHYSLMM-FQEVSTJZSA-N 475.553 2.934 30 10 JFEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)C1 1731015312 CEJJFTKGBXVXTI-SFHVURJKSA-N 486.623 2.604 30 10 JFEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCOCC1 1731060095 DYEQPYHXWNLZSA-SFHVURJKSA-N 454.600 2.821 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)OC(C)(C)C 1740548399 GHQNPQIWZVYYLX-HNNXBMFYSA-N 451.531 2.967 30 10 JFEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1740616850 IAUCBAVMDDOASX-GBXCKJPGSA-N 478.659 2.916 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740626395 AUNPCTYSWZFKAK-AZUAARDMSA-N 460.625 2.688 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(c2ccc(F)cc2)CCOCC1 1740644607 NABWBCOOTQDMBH-UHFFFAOYSA-N 451.546 2.767 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740701918 SDNZXOAPDPXYGB-UHFFFAOYSA-N 470.574 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)n2)CC1 1740706486 UWZJOWOGLXGFHO-GOSISDBHSA-N 476.503 2.948 30 10 JFEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1740742085 BSELDFGODSEFSS-QGZVFWFLSA-N 468.356 2.589 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnccn2)CC1 1740796652 FQRITQIRKYAFIE-UHFFFAOYSA-N 453.522 2.706 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1740914316 OYZIKWJDANNDQC-UNMCSNQZSA-N 466.586 2.689 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740987642 LCHJRWOVNPOCSQ-UHFFFAOYSA-N 499.597 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1740991944 IVGRLXYKVZNLCH-IRXDYDNUSA-N 451.618 2.532 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)C1 1741080392 DCBXXXMMSBISEI-DVECYGJZSA-N 480.594 2.803 30 10 JFEE CC(C)(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1741179517 GINSVRZXFIPOSE-IBGZPJMESA-N 472.615 2.637 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1748646980 GQMNVSQNFWLDHA-QRWLVFNGSA-N 479.448 2.702 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCCn1cc(Br)cn1 1748647687 RQGRKIXFCOHQQP-OXJNMPFZSA-N 465.396 2.828 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2CCN(C(=O)OC)CC2)c1 1748692283 FTVDFCYWUUPWNR-UHFFFAOYSA-N 450.543 2.690 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H]2C)c1 1748692713 LZTLVWZRMUSDJE-YZGWKJHDSA-N 469.611 2.673 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCO[C@H]1C(C)C 1748795130 YRLWMFVZGVNCKG-DHLKQENFSA-N 450.631 2.773 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1748889763 FKDIJTUDSUUJPQ-UHFFFAOYSA-N 496.619 2.665 30 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CC(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1750982711 HNNVOTGWRBMKGF-UHFFFAOYSA-N 476.560 2.516 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760182438 FUDRKXDJEMPVRC-AWEZNQCLSA-N 461.897 2.963 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCN1c2ccccc2C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760184090 VEZCVQAHKYWRIA-UYAOXDASSA-N 455.628 2.654 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760214202 FQZOKSLRNUYSRG-OAQYLSRUSA-N 491.514 2.688 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H](C)C1 1760226228 PGQUHOJKUPAABO-GOSISDBHSA-N 457.648 2.738 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760266970 CICSPWYSKFZXKG-VWLOTQADSA-N 492.668 2.830 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)c2ccsc2)CC1 1760271829 OAOLHNUDRBPZEC-DEOSSOPVSA-N 455.628 2.946 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1760272834 XCQSNILBAZPLJI-ROUUACIJSA-N 478.663 2.912 30 10 JFEE 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2.922 30 10 JFEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(NC(=O)N(C)C)cc1 1762185933 DNJVRMPJHIHGNH-MRXNPFEDSA-N 454.579 2.934 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC(=O)NCC(F)F 1763741067 ICROWPPWSTVQSA-CQSZACIVSA-N 488.499 2.619 30 10 JFEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1cccc(F)c1 1766893609 HAJYRMWYVVAYAK-TZIWHRDSSA-N 474.606 2.752 30 10 JFEE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751489 SEFFQVWOONABJZ-UHFFFAOYSA-N 476.574 2.912 30 10 JFEE CC#CC(=O)N1CCn2cc(C(=O)NCCc3cccc(C(=O)OC)c3)nc2[C@@H]1c1ccccc1 1857660949 WAKDAJDVACAEBL-DEOSSOPVSA-N 470.529 2.597 30 10 JFEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)Nc2ccc(N3CCOCC3)nc2)CC1 1860591854 GTKVZEYIJHHHLZ-HSZRJFAPSA-N 452.555 2.605 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1F 1862417327 QQHFCOTZKBTUFT-NRFANRHFSA-N 474.460 2.677 30 10 JFEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 1862419343 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C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1722664269 VBGSCNWZBFFFTP-YGCDDZCOSA-N 454.556 2.563 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC(C)C)C1 1722698736 LEPHSQQWOVLWKX-RBUKOAKNSA-N 476.622 2.761 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1722728180 RGWICXKTQWDDIE-FQEVSTJZSA-N 454.556 2.686 30 10 JFEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)=O)CC1 1722742892 KGUOLNOABUUQDV-UHFFFAOYSA-N 497.713 2.621 30 10 JFEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1723632833 FVAMLRRUEQXYRU-UHFFFAOYSA-N 493.612 2.625 30 10 JFEE Cc1cc(C)n(-c2ccc(Cn3c(C(=O)NC(C)C)nnc3N(CCC#N)CC3CC3)cn2)n1 1725867398 HLYPUXWNIHRSRS-UHFFFAOYSA-N 461.574 2.792 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1740536538 ITFJGSUOAGFHJZ-MSOLQXFVSA-N 450.543 2.821 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C2CC2)c1 1740561385 DNDKDEJVCUCSBK-FTJBHMTQSA-N 481.597 2.536 30 10 JFEE 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30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748890035 NMKQPIWPTQJPOI-FQEVSTJZSA-N 456.472 2.543 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSC(F)(F)F)CC1 1749011159 WQNRBRFOMPFEFP-UHFFFAOYSA-N 495.527 2.935 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCn2ccnc2C)CC1 1749016979 RMKTZGPSEKRZJZ-UHFFFAOYSA-N 463.561 2.569 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCc2ccccc2)CC1 1749302946 BQOSJRONWMZVJS-HXUWFJFHSA-N 477.656 2.701 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749370864 RGKRZOIJKAFYQY-UHFFFAOYSA-N 470.643 2.804 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749414851 KANXHBDCQSKCMQ-KNQAVFIVSA-N 473.643 2.862 30 10 JFEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)COC)CC1 1749447921 PYJZBOYHAVEPLO-UHFFFAOYSA-N 492.418 2.904 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749650681 FJQFQQCTEUARDO-DENIHFKCSA-N 479.585 2.649 30 10 JFEE 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2.943 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1760525667 MVZUXAOVBCRXPB-KRWDZBQOSA-N 458.632 2.610 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760527747 HJQUTTHWYSRBEK-OYHNWAKOSA-N 496.395 2.850 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760527991 OSPNBFYWWZJRQI-SFHVURJKSA-N 489.020 2.502 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1760552248 HZVHMOYJVBBHSS-SFHVURJKSA-N 490.630 2.682 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCSC2(CCOCC2)C1 1760557125 ATFCDVTWEHJCGL-UHFFFAOYSA-N 492.667 2.869 30 10 JFEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1763347389 HBWKAAGCXVVVMW-KRWDZBQOSA-N 469.571 2.551 30 10 JFEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1764822988 CJFKHJJDOWJWKF-NRFANRHFSA-N 486.642 2.618 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1771112176 HSLLPEMCCRRBAW-OALUTQOASA-N 462.595 2.796 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2.529 30 10 JFEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)N2CCOCC2)CC1 1705764766 MPIPJIVTKXIOHC-SFHVURJKSA-N 457.575 2.848 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705805256 CNPZVMUMVZYOEL-IRXDYDNUSA-N 451.618 2.879 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCCCC2)C1 1705896664 UIYOQAAKSLROGX-UHFFFAOYSA-N 486.642 2.658 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705896938 CCFQJDKEPZWDKE-ROUUACIJSA-N 478.519 2.627 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)C1 1705917358 WLMNAIWHCYBIKQ-MANSERQUSA-N 469.652 2.511 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705935441 RMYZIJGQNMTGHO-UHFFFAOYSA-N 455.625 2.525 30 10 JFEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)N(C)C 1706364654 AEJZMLMYIDJRNV-NJYVYQBISA-N 451.575 2.728 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCc2nccs2)cc1 1712880224 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30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740626922 XBKGNPFVEXAEQR-CYFREDJKSA-N 474.602 2.576 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@H]1CCOC1 1740653434 MNLMQFVNBGQNJI-FQEVSTJZSA-N 458.566 2.955 30 10 JFEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1740696808 GYZBNQUNQQDVHF-XMMPIXPASA-N 450.631 2.523 30 10 JFEE C#CCSCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740723841 UZRPDUINSDZLEB-WCIQWLHISA-N 491.658 2.799 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)cc1 1740724261 ZXSQEZJXAQHCFR-RUZDIDTESA-N 457.538 2.656 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1740749746 DMGZGHPDUARRMG-KBPBESRZSA-N 471.400 2.959 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1740764186 UZCLSOQMVSGOLZ-HJPURHCSSA-N 488.539 2.735 30 10 JFEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(C)nn(C)c2C)CC1 1740820130 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CCCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 33812596 IXDIQIQBJYKHPR-LDADJPATSA-N 459.641 2.800 30 10 JFEE CC[C@@H](C)Sc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)s1 59887118 YWPQYIGUGNTZFD-MBCCIFHSSA-N 496.648 2.567 30 10 JFEE C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H]4OC5(CCCC5)O[C@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F 206700444 FLDUYPKFSAAGBK-ZMWURGBRSA-N 460.542 2.953 30 10 JFEE Nn1c(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1Cl 253569122 MABFSSXKDKWCPZ-DNTJNYDQSA-N 491.877 2.639 30 10 JFEE COc1cc(C(=O)NC2CCNCC2)c(Br)c(OC)c1OCC(=O)C=C(C)C 585832977 YWDAAAWWZVOMDC-UHFFFAOYSA-N 455.349 2.862 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 586707148 IDNHYHPQCHUOKA-UHFFFAOYSA-N 456.524 2.970 30 10 JFEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc(OC(=O)CC)cc3)N2N1 588226892 MEEXVMFYPXITFW-FQEVSTJZSA-N 499.390 2.827 30 10 JFEE COC(=O)CN1C(=O)C[C@@H](C(=O)Nc2cccc(OC)c2)SC1=Nc1ccc(OC)cc1 725400498 XVQRKGARVCRYKD-SFHVURJKSA-N 457.508 2.837 30 10 JFEE COc1ccc(CN2C[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2=O)cc1 726678417 AUQJYESAILFXCA-JCMFZVGDSA-N 455.555 2.906 30 10 JFEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(F)F)cc1 729670259 OPTLGIQVPZMBQN-UHFFFAOYSA-N 480.496 2.876 30 10 JFEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(N(C)C)cc2)n1N 1084237726 MUHZFXCPVKDLAV-UHFFFAOYSA-N 454.560 2.633 30 10 JFEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccc(Br)cc3)n2N)cn1 1084276387 JOXMDCDFDVDRPY-UHFFFAOYSA-N 478.380 2.709 30 10 JFEE CCCOC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084429634 KOLVDBXCFIPXLB-UHFFFAOYSA-N 484.586 2.627 30 10 JFEE C=CCO[C@@H]1CCN(C(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)C1 1127506295 BRQCYKKYJVHCFG-BHIYHBOVSA-N 456.402 2.846 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)C1=O 1129596151 UWLJQHXTDLEKJJ-IBGZPJMESA-N 455.898 2.691 30 10 JFEE C=CC[C@@]1(C(=O)NCCc2ccc(S(=O)(=O)NC)cc2)CCCN1C(=O)OC(C)(C)C 1151879367 OKGXEALSWPYKCN-QFIPXVFZSA-N 451.589 2.599 30 10 JFEE Cc1nn(C)c(N2CCN(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)CC2)c1C#N 1193495523 BMBGWDULXCRPSS-UHFFFAOYSA-N 452.946 2.952 30 10 JFEE C#CCN(CC(=O)NCc1ccc(NC(=O)OC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1197769828 OEDSJFQYMAHOHL-UHFFFAOYSA-N 458.559 2.816 30 10 JFEE C#CCN(C(=O)NC[C@@H](C)CN1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 1228719826 ONWSSLPWGCKGNP-APWZRJJASA-N 450.377 2.886 30 10 JFEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(CC)ns2)CC1 1286336399 RILIGKPXVYPSKE-HKUYNNGSSA-N 459.620 2.546 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1286356012 IHSURKDCVSXUQC-HSZRJFAPSA-N 453.543 2.920 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286393006 DGMILAUPTIRNER-GOSISDBHSA-N 486.619 2.911 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CSCCS1 1286405092 YNKNNCFEVKPJDF-KRWDZBQOSA-N 458.609 2.892 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1286421138 BWYAZXFTYWPCSS-HHHXNRCGSA-N 475.593 2.564 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCSCC(F)(F)F)CC1 1286473033 GYOSPMNFGQTAMG-UHFFFAOYSA-N 454.478 2.904 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cc(C)nn2C)CC1 1286488645 PRMNKLSHYBMOBI-SFHVURJKSA-N 479.560 2.613 30 10 JFEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1286639162 ZAPRGXJIGYLRTP-HSZRJFAPSA-N 460.600 2.680 30 10 JFEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286701746 DROXSXUGTHDOCZ-UHFFFAOYSA-N 466.611 2.882 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286740213 FLYBPASECZOBJA-LEWJYISDSA-N 489.642 2.797 30 10 JFEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1286789118 ATOBSTPQXUVMAJ-SFHVURJKSA-N 460.376 2.873 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1288267533 CHDQQFWDEJKXAN-UHFFFAOYSA-N 465.583 2.709 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300499861 YOZPOVUNKFAJKL-HXUWFJFHSA-N 477.030 2.844 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1300656829 OIVAGHOHUNJIDZ-LJQANCHMSA-N 491.683 2.786 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1300706311 KERZTCIXBHTCIR-AREMUKBSSA-N 451.615 2.768 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCCC2(C)C)CC1 1300719169 QJXFWUREPZXFNS-HHHXNRCGSA-N 495.624 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1300727102 VVDRZCQPQOXRJL-UHFFFAOYSA-N 486.473 2.834 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCN2CC)CC1 1300730559 ALMANWIUNLJKTF-QFIPXVFZSA-N 464.614 2.616 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300767695 DZXSDNNXJBXUPJ-JOCHJYFZSA-N 466.611 2.750 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300806839 BLZHKPBVPWPCKW-GBXCKJPGSA-N 454.644 2.865 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2nnn(C)n2)CC1 1301111745 CMXNFTONCFDKSR-UHFFFAOYSA-N 459.352 2.690 30 10 JFEE 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460.604 2.540 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1314740941 HDUBOIGHSXWECI-SFTDATJTSA-N 486.642 2.945 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCSC2)c1 1358902360 LPCBNWXRJBGFJT-DEOSSOPVSA-N 462.579 2.573 30 10 JFEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CO)CC1 1358915944 UXRSGLVNLXYUOT-UHFFFAOYSA-N 450.631 2.655 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358958015 FSDOOVLFPDMNSF-SFHVURJKSA-N 491.614 2.730 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1358965158 OZCPUXPRTUJGCT-IBGZPJMESA-N 473.961 2.731 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC(=O)N(CCOC)C1 1358972184 WYBNOEGDNXBTHU-OALUTQOASA-N 465.623 2.699 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NC1CCCCC1 1358983684 RRLZSRZAZLFJDZ-PUZFROQSSA-N 468.602 2.571 30 10 JFEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359003373 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JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](CC(N)=O)C1 1690717489 HLMHGDINMQKEBZ-SJORKVTESA-N 491.683 2.824 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ccccn1 1690726746 KGBXIJHOHDRJFS-UHFFFAOYSA-N 450.568 2.913 30 10 JFEE C=CCSCCn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1690752413 HMQLWYZODWQDJB-QHCPKHFHSA-N 463.648 2.831 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1CCO[C@H](C)C1 1694347234 DYYJDUKQDOAHHB-UXHICEINSA-N 494.644 2.995 30 10 JFEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1694415619 BQIFVLOYLQVAED-HXUWFJFHSA-N 479.629 2.501 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1695022197 AAEKFYIMPNECNH-NFBKMPQASA-N 496.612 2.665 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCS1(=O)=O 1698048928 CEFHHCFBEVKFOL-FQEVSTJZSA-N 468.583 2.765 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSCCCO 1705492279 OJODZVCIEQHFCV-ZWKOTPCHSA-N 451.637 2.966 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564540 BQBVMVIMRUFLAU-NLWGTHIKSA-N 459.616 2.741 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccnc(Oc2ccccc2F)c1)[C@@H]1CCS(=O)(=O)C1 1705568262 JYLKZFRUFGFFOU-LJQANCHMSA-N 499.568 2.816 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCOCC1 1705585233 ALQGPKXNKVIJKK-JOCHJYFZSA-N 455.990 2.940 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1705631069 QWNBWLPZSAMZPF-ACRUOGEOSA-N 491.633 2.735 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCOC)CC1 1705639679 UJUVVADBXVHVIW-UHFFFAOYSA-N 474.650 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCOCc2ccccc2)CC1 1705647463 GYNXOEADTPFYEN-UHFFFAOYSA-N 458.566 2.831 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1705647944 MLJCTHYCBQUCQW-CTNGQTDRSA-N 481.597 2.614 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705651340 SVSPMXDOTBBKLO-RDGATRHJSA-N 490.608 2.756 30 10 JFEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2cc(C)no2)CC1 1705657798 RPDTYEZMRRVFEB-UHFFFAOYSA-N 452.584 2.939 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705660281 RFBCHOPLTSMSBZ-LJQANCHMSA-N 453.568 2.619 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705702189 LEXRRJJSWVURBU-MTJJIEKYSA-N 458.607 2.662 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705781023 NKNLMTYBTIMNBD-WMZOPIPTSA-N 484.667 2.840 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1705894909 OASGGLSHCTXVIB-UHFFFAOYSA-N 489.020 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](Nc2ccccc2)C1 1705932110 LOEWBXTXTMXHAA-FQEVSTJZSA-N 454.600 2.965 30 10 JFEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)c1cccs1 1706194654 HSIXEUWJFVMVKS-GOSISDBHSA-N 492.671 2.780 30 10 JFEE CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1710876658 GAPXDENCJOIFPS-QFIPXVFZSA-N 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490.540 2.999 30 10 JFEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc(C)cc2F)c1=O 21655741 DGWRRWCBPSYILQ-UHFFFAOYSA-N 457.531 2.882 30 10 JFEE Cc1sc2ncn(CCC(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)c(=O)c2c1C 110526174 UNTVJSIOJWNFLU-UHFFFAOYSA-N 476.518 2.704 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc(OC(C)=O)c1 170320710 KGGXAPIMKSSRSS-NRFANRHFSA-N 455.463 2.854 30 10 JFEE C#CCOC[C@H](O)CN(CC=C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1 230112069 USTJNKRAXHDLBW-HYBUGGRVSA-N 484.618 2.760 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(Br)cnc3O)nnc12 517980431 AIGZGSMKNKANHO-UHFFFAOYSA-N 487.339 2.824 30 10 JFEE COc1ccc(CC(=O)N[C@H]2CCNC[C@@H]2C(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1OC 585834295 DNODUUNEJXTQMK-XQTSXYSPSA-N 459.524 2.593 30 10 JFEE C=CCn1c(=C(C#N)C(=O)c2cccc(C)c2C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 590051679 JTWFOFYANPNIPT-UHFFFAOYSA-N 488.565 2.878 30 10 JFEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2N=Cc2cnn3ccccc23)c1 729635816 NVPJGXZLWLQUNM-UHFFFAOYSA-N 455.569 2.794 30 10 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C=CCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286705193 TWQJFRPRAFONJW-DEOSSOPVSA-N 454.575 2.642 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1286745044 ANMXBJBAJGPUAT-WOJBJXKFSA-N 477.656 2.699 30 10 JFEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286771769 PCUAVIYTGWUNDY-UHFFFAOYSA-N 472.384 2.893 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286816408 KPCJWXBFKZEYTQ-UHFFFAOYSA-N 493.033 2.576 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1286827425 NNAUYDYPUNURQZ-UHFFFAOYSA-N 450.996 2.988 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ncc(C)s3)n[nH]2)c1C 1292841742 LWVVRDKBZKVOKA-INIZCTEOSA-N 457.585 2.995 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1299278238 GCQOSLQWQYREOL-KBMIEXCESA-N 464.618 2.789 30 10 JFEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1 1299300006 AGGNUXMIJCTKNY-UHFFFAOYSA-N 466.523 2.759 30 10 JFEE 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C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1595649280 NYZHFUYYUSFWBC-HNNXBMFYSA-N 455.531 2.737 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C)n(C)c2=O)C1 1595752654 CMJIZGHSZMXODD-QHAWAJNXSA-N 498.628 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)C1 1595765538 BWRGDUGARGHWFB-UHFFFAOYSA-N 471.583 2.597 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccs2)CC1 1595797494 HPUDHIPETGNAHG-QGZVFWFLSA-N 451.618 2.509 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)C)CC2)C1 1607581017 DYASXOGPVHOCIY-HSZRJFAPSA-N 451.619 2.704 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 1616137570 ZSFZDONRSQAAOZ-SFHVURJKSA-N 451.502 2.989 30 10 JFEE COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OCC(F)(F)F 1629018490 GINSDUKAMZIKSR-LBPRGKRZSA-N 457.430 2.813 30 10 JFEE Cc1ccc(S(=O)(=O)C[C@@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)cc1 1655037213 CRKOFBQCZZUWFZ-CYBMUJFWSA-N 457.371 2.770 30 10 JFEE 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C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=C)Br)CC1 1690115171 VXQVLPCUDHBZPB-UHFFFAOYSA-N 476.375 2.635 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1690154722 XNWUVRSKUISWIW-UHFFFAOYSA-N 478.663 2.866 30 10 JFEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690165816 KMAKKFGEFRZKKH-UHFFFAOYSA-N 460.611 2.860 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1690177478 XBLXWLDMESFXCE-UHFFFAOYSA-N 453.033 2.902 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690430890 WBWXNBFYSJMBAK-NRFANRHFSA-N 486.661 2.715 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1690572106 SQUFMNRIOKECNJ-QGZVFWFLSA-N 474.562 2.700 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677795 ARYRTHLCDIQRGD-HYBUGGRVSA-N 490.004 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1690714227 HUDGMYWPBCOYPC-AZUAARDMSA-N 480.594 2.909 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccs2)CC1 1690717680 NHUQDJOIPMXQTN-UHFFFAOYSA-N 488.595 2.842 30 10 JFEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1691176280 GJWSYOUSRHWGIZ-UHFFFAOYSA-N 473.647 2.673 30 10 JFEE Cc1nc(CN2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)C(C)C)CC2)no1 1693370047 GHVXSAKXLGAOBP-UHFFFAOYSA-N 463.590 2.561 30 10 JFEE COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCN(C)C(C)(C)C2)cc1 1697478812 FBGXYXUKCOCVFI-LJQANCHMSA-N 455.607 2.630 30 10 JFEE COCCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1697909894 CXUNZCYDIBJIDH-GOSISDBHSA-N 460.966 2.653 30 10 JFEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1698399610 HXNMOZCZJACDPZ-GOSISDBHSA-N 456.572 2.903 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccnc(OC(F)F)c1 1705492657 VADQFIFSBISBKI-MRXNPFEDSA-N 468.512 2.955 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705560171 DZWNFNGAUNZBKF-PZJWPPBQSA-N 499.662 2.945 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1705567825 AJTSUVWUPUCGEV-IBGZPJMESA-N 472.542 2.881 30 10 JFEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1705571821 IZTHGGGITRVIRF-HXUWFJFHSA-N 484.651 2.792 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1705580217 FPINAVJKIMITOV-UHFFFAOYSA-N 480.576 2.818 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705583963 RJMQCTOKWLHAAO-JOCHJYFZSA-N 454.582 2.751 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[S@](=O)CC)CC1 1705642957 NNQMXLUCBIHIAY-SSEXGKCCSA-N 470.426 2.688 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1705668608 PUNBQDNTWORHID-JLTOFOAXSA-N 460.585 2.645 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCCOC)CC1 1705755382 SNDBRZAJLJQFDP-FQEVSTJZSA-N 475.977 2.912 30 10 JFEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 1705817713 QRWQEQYYTGABNK-UXHICEINSA-N 460.623 2.880 30 10 JFEE 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30 10 JFEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1722524351 DQHVVQLSJDTUGL-GOSISDBHSA-N 452.563 2.643 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722530031 KZMFMJVIQZEYGH-HOYKHHGWSA-N 458.559 2.939 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722558179 GWSKXHUPLBWQDF-GOSISDBHSA-N 451.980 2.783 30 10 JFEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1722648626 VNLXECOYOILZIS-QGZVFWFLSA-N 461.588 2.541 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722685498 FIFYEQBLKAXTNE-RTBURBONSA-N 498.632 2.976 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C1 1722708659 AWGBGNRRZUBTSK-KRWDZBQOSA-N 480.491 2.607 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1722725440 ONYQRRZZIYYTDZ-HZPDHXFCSA-N 498.074 2.793 30 10 JFEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1nccs1 1723821090 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C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCN(C(C)=O)CC1 1508011295 CGVPWDVNZDTMPW-UHFFFAOYSA-N 458.994 2.950 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1508085280 GMTBVUXLDBORPS-FQEVSTJZSA-N 469.977 2.619 30 10 JFEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 1510288484 BJBRZTUVMVCIJC-JXFKEZNVSA-N 464.448 2.599 30 10 JFEE CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516807094 GXADGOWUNKNQDB-UHFFFAOYSA-N 486.001 2.626 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1517450951 GSJUMVOYGCVJGA-IRXDYDNUSA-N 469.590 2.890 30 10 JFEE C#CCOc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)cc1 1531785892 JAFIIHMUIBAZBO-SJORKVTESA-N 454.445 2.692 30 10 JFEE CN(CC(=O)NCc1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 1538237883 BTAAFXSVBDYQKG-UHFFFAOYSA-N 456.749 2.911 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1539003070 KWCQAUGQALBOOF-KRWDZBQOSA-N 473.585 2.918 30 10 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461.286 2.737 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1Cl 1540874623 MXEHDSIJECICGK-UHFFFAOYSA-N 458.975 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1540899368 LTHCXYSLVGGRPQ-UHFFFAOYSA-N 466.007 2.646 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1545691745 HYSVDNUFWWFQIT-PGRDOPGGSA-N 476.585 2.916 30 10 JFEE CCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1546836560 FAVCZXFTENOJQF-MWTRTKDXSA-N 450.547 2.774 30 10 JFEE CCN1CCC[C@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC#N 1547672073 CLLVUVVLMLGOCR-WMZOPIPTSA-N 458.636 2.769 30 10 JFEE CNC(=O)[C@H]1CC2(CCN(C(=O)CCOC)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548380517 YGYCFCQABCVIMF-GOSISDBHSA-N 452.477 2.547 30 10 JFEE Cn1ccc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@](F)(C#N)C2)n1 1554341537 GGAAIBIAYAEOSD-HXOBKFHXSA-N 472.569 2.811 30 10 JFEE C=CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1562099232 QIZWEDLWIKUXJK-ZDUSSCGKSA-N 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464.520 2.751 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1589504029 GQXRRKATENFXQN-LPHOPBHVSA-N 460.376 2.967 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1589599073 AQOGEAXPYQPSCT-DLBZAZTESA-N 470.640 2.690 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1589642213 YXXCKHYTONOPAV-GOSISDBHSA-N 452.559 2.790 30 10 JFEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1594552252 JYPIURFTOFWMLY-OAQYLSRUSA-N 466.611 2.705 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](N2CCCC2)C1 1595506623 HMPNBDWRXUNQTN-GOSISDBHSA-N 458.994 2.974 30 10 JFEE C=CCOc1ccc(Cn2c(CC)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)cc1 1595614044 MOTHQICJJYGDFH-GBXCKJPGSA-N 466.630 2.833 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1595723073 QPLOXWWGCVRTHA-NHCUHLMSSA-N 460.600 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1595796518 ACYQPGYGGUVXBV-LJQANCHMSA-N 481.569 2.725 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1595884838 VCZQZEPZCUMTMY-ICSRJNTNSA-N 462.641 2.986 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c1 1608269911 QXLYHPGWONSFDE-UHFFFAOYSA-N 454.508 2.873 30 10 JFEE CC(C)N(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1612657284 DNXDCQLCEFHRLM-HXUWFJFHSA-N 467.618 2.905 30 10 JFEE N#C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCCN2CCCCC2=O)CCO1 1620354275 AYPNKJMJTRNMAN-INIZCTEOSA-N 491.365 2.978 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)C1 1634107534 DWNOYGJWVACCFZ-HKUYNNGSSA-N 457.531 2.662 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1641703831 WMNXXRPCDUHATR-BZUAXINKSA-N 450.001 2.532 30 10 JFEE C=CCn1c(SCC(=O)N[C@@H](C(=O)NC)c2ccccc2)nnc1-c1cccc(OC)c1 1652701549 SDFUCNQZFJALJY-HXUWFJFHSA-N 451.552 2.835 30 10 JFEE C#CCN(C)CCCNC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 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C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689996215 FHPRSCFBAMSSJF-OAQYLSRUSA-N 496.637 2.563 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1689996958 SBXQQXWALWPTFG-WOJBJXKFSA-N 474.652 2.942 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCO1 1690102384 JVHGRQLCUGYCMH-VQTJNVASSA-N 459.591 2.824 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1690119869 VVIVOCROKQZZPB-DEOSSOPVSA-N 450.631 2.837 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1690146210 IEVGQRIQAIACCT-XZOQPEGZSA-N 482.604 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CCc2ccn(C)n2)CC1 1690154380 MWRNCDJKQQKGCV-UHFFFAOYSA-N 493.637 2.521 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690163523 ICMYFJXQJBVDMG-INIZCTEOSA-N 490.427 2.894 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1690170732 OXIAQWIZPFLLGE-UHFFFAOYSA-N 496.662 2.916 30 10 JFEE 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10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690677469 XPNPHBHOPPCVTK-JPYJTQIMSA-N 457.600 2.565 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690749728 NRFQCYLLASPGAG-JOCHJYFZSA-N 472.707 2.664 30 10 JFEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1694483479 FPAVWEJEGUVGQC-NQIIRXRSSA-N 464.636 2.711 30 10 JFEE CCCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)C(=O)OC(C)(C)C 1695336859 BNCOXUUFLDMJTL-UHFFFAOYSA-N 496.616 2.925 30 10 JFEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705519893 AQUYNXMUGWXLCY-FQEVSTJZSA-N 459.616 2.748 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705564813 QJNWYZMVCREWBQ-SFHVURJKSA-N 470.624 2.673 30 10 JFEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1705565165 GRYHQHFEPAGGSE-WIYYLYMNSA-N 490.651 2.951 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705583798 LDBMMLVVCJXDQZ-FQEVSTJZSA-N 463.479 2.734 30 10 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1286590219 XNYYAJKCSVZWLV-OAQYLSRUSA-N 461.632 2.960 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1286680618 ZAKAULYHGGVDAO-AABGKKOBSA-N 457.600 2.603 30 10 JFEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286831837 DXFCYDMGUBMEOA-OKZBNKHCSA-N 465.620 2.873 30 10 JFEE CC(=O)Nc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)CC2)cn1 1286893264 AUFZNHUGHBKCBU-UHFFFAOYSA-N 458.570 2.996 30 10 JFEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)[C@H](C)C1=O 1287751305 FIOQDJHEWBUVGZ-HXUWFJFHSA-N 479.629 2.621 30 10 JFEE CC(C)N(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C 1287954514 HIICPGOQOZVARN-UHFFFAOYSA-N 489.628 2.912 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CN(Cc3ccccc3)CCO2)n1 1290589276 FCCBEUCBYUIRPP-OFNKIYASSA-N 462.602 2.779 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)cc1Br 1300076264 DTQASARFWWNHKV-KRWDZBQOSA-N 475.391 2.931 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1300370740 CEFFWIYCTWYRJF-IBGZPJMESA-N 458.607 2.945 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300481985 CRVVMQOKAADJLS-CECAUBDESA-N 481.018 2.859 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1300483387 LFNULFONYFDHMF-HKUYNNGSSA-N 459.522 2.879 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1300506576 VFXNOFNEZWTJIO-HXUWFJFHSA-N 468.602 2.767 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1300699736 GWFDGLHMUWCWGD-SFHVURJKSA-N 461.513 2.586 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2oc(CC)nc2C)CC1 1300711325 YCOJVLQISYLSTM-KDURUIRLSA-N 483.617 2.711 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300718852 YICYPZBOIWCIFF-JOCHJYFZSA-N 481.601 2.795 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)CC1CC1 1300817035 ADGSNGBQDRBGIW-HSZRJFAPSA-N 458.584 2.683 30 10 JFEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1301219106 YZYGALCWVXNMKL-UHFFFAOYSA-N 499.641 2.720 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1301565268 AQGPBFLOLQJXRS-OALUTQOASA-N 450.509 2.929 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)C1 1303558682 MVHJIJTYODCNRD-LJQANCHMSA-N 451.523 2.549 30 10 JFEE Cc1nccn1CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1304708893 HLUHETROXDSEJM-HXUWFJFHSA-N 484.605 2.717 30 10 JFEE CC1(C)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[C@H]1C#N 1307744841 DCQSBIQNBVTUJB-QFIPXVFZSA-N 454.596 2.687 30 10 JFEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CC2=O)cc1 1321640303 NHIDINXHSZNWHC-FXAWDEMLSA-N 453.520 2.503 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(OC)C2CC2)c1 1358900863 UMDGRFWDQNTCRL-AREMUKBSSA-N 487.564 2.797 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2c(CC)nn(C)c2OC)c1 1358902144 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JJLLOGUNEITNQC-UHFFFAOYSA-N 474.565 2.566 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1359044517 IFKKYWAMDLBGDG-UHFFFAOYSA-N 458.607 2.815 30 10 JFEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1359139234 PERZYWRWPAOGQG-HXUWFJFHSA-N 459.616 2.746 30 10 JFEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1359423237 FHXDAYLECWODCP-VQTJNVASSA-N 454.600 2.977 30 10 JFEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC(C)(C)O1 1360829432 AVOFAGXAPWGKJC-QHCPKHFHSA-N 457.600 2.991 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 1464308655 FEMGFYOVJLQBMS-SZPZYZBQSA-N 456.502 2.657 30 10 JFEE COc1ccc(N(CCC(=O)N2CCO[C@H](C#N)C2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1464837948 AYDRJHFAKVXHOR-OAQYLSRUSA-N 457.552 2.648 30 10 JFEE C=C(CC)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1464994344 RINOZWJGNGWZBH-UHFFFAOYSA-N 451.637 2.947 30 10 JFEE COC(=O)CSCc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1476114858 ANGCUPTXJHGCTE-HXUWFJFHSA-N 452.536 2.887 30 10 JFEE CN(C[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1)C(=O)OC(C)(C)C 1478402816 FVTWRHXRMCTYPN-YESZJQIVSA-N 451.568 2.644 30 10 JFEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2nnc(CC)s2)CCOC1 1502638347 GGXNFAAKHIHDPC-JOCHJYFZSA-N 453.572 2.900 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)cc1OC 1502816070 DRJWCPDTSICBCM-HXUWFJFHSA-N 482.585 2.874 30 10 JFEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503394704 FPVXHMRPTXLSLE-UHFFFAOYSA-N 469.597 2.998 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1503461700 FTFUCVPKRJSFDK-XMSQKQJNSA-N 471.608 2.657 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@@H]2OC)c1 1507548866 WNUIIEAWBCGCDN-FPOVZHCZSA-N 487.564 2.797 30 10 JFEE C#CCCCCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507559800 YYPCMSGCSPDVLW-NJYVYQBISA-N 499.637 2.875 30 10 JFEE 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C=C(Cl)Cn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1740815558 CXRYWPOOKYHMSN-HRAATJIYSA-N 484.022 2.916 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1740887917 MVCFSKRTKNEOKU-IBGZPJMESA-N 460.579 2.919 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2Cc2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 1740965365 OIRJAXJGWDRZFU-PXDATVDWSA-N 453.587 2.832 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1741003717 BNDGWWJBIVBCRJ-NRFANRHFSA-N 453.616 2.902 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(N2CCOC2=O)cc1 1741654581 CQZHILAQTNMUJG-UHFFFAOYSA-N 451.531 2.551 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1745870608 ADDSZXUORAJKRG-YLJYHZDGSA-N 494.600 2.676 30 10 JFEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1748810616 YKOQWRZNZOINAH-LJQANCHMSA-N 467.595 2.793 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1748816003 VNXJGCZRPDYSJF-IFMALSPDSA-N 470.595 2.760 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@H](F)C1 1748951617 WYARSFFRLIZLAI-MSOLQXFVSA-N 462.595 2.771 30 10 JFEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749023215 QHAQZDRVISUVDK-JXFKEZNVSA-N 478.018 2.779 30 10 JFEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1749043755 KHZJMOOPUULUQD-UHFFFAOYSA-N 466.655 2.975 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1749053699 KEYANVIERQFDRD-YADARESESA-N 470.643 2.919 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)CCC)CC1 1749120031 ZOZYCTMPNSCQDR-PGRDOPGGSA-N 481.601 2.792 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1749170037 AZCQHKIAIOVSFD-ULQDDVLXSA-N 470.640 2.594 30 10 JFEE C=C(C)Cn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749207575 NOBPQZFOIXCIFI-SANMLTNESA-N 488.677 2.808 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1749303061 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2.702 30 10 JFEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690738485 OHMDGNJGTGKDNF-UHFFFAOYSA-N 479.654 2.870 30 10 JFEE CC(C)[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1690995066 CFFUZUGJKKAOBH-DENIHFKCSA-N 487.674 2.912 30 10 JFEE CC(C)Oc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1692597525 CRWUAOVFVXEYMC-QGZVFWFLSA-N 460.604 2.854 30 10 JFEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1)N(C)C(=O)OC(C)(C)C 1692695414 BSQFJTVICIHBEW-FYSMJZIKSA-N 467.574 2.774 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC(C)(C)O1 1693828818 HQZRMOXGYNXLLF-LJQANCHMSA-N 468.602 2.843 30 10 JFEE C[C@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 1693844938 BLNUMHGJIRNKMG-SFTDATJTSA-N 480.661 2.959 30 10 JFEE CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1694299715 DQCVYQMMXSCWHM-GCJKJVERSA-N 465.650 2.974 30 10 JFEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCn2cc(C)cn2)c2ccccc2c1=O 1695396681 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C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)n1 1705631673 MEQPMDFYTCCTBL-RUZDIDTESA-N 459.554 2.869 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1705659055 KEMWLWBNAMEXNE-UHFFFAOYSA-N 478.500 2.854 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCCOC 1705667729 QUOPVRPBCKGCRK-RUZDIDTESA-N 451.571 2.888 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705679098 BJLGFYSLMJZDQQ-MRXNPFEDSA-N 487.362 2.628 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1705722202 ALDKMSDKRIFLIN-FQEVSTJZSA-N 458.632 2.836 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705722302 FKBQTCVDVFDVTE-QGZVFWFLSA-N 485.614 2.753 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)s2)CC1 1705781820 IPZNQLLGIVGTBT-QGZVFWFLSA-N 486.063 2.971 30 10 JFEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705825858 FUMUHRICSWEIQL-QAPCUYQASA-N 478.479 2.670 30 10 JFEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1CCS(=O)(=O)CC1 1705885624 YPWUNVNFJJIOHD-UHFFFAOYSA-N 457.600 2.745 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(OCCOC)CC1 1705889529 CIVXWHSZOLEYQV-UHFFFAOYSA-N 452.559 2.883 30 10 JFEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722319592 NWANWUVWYVVPEF-QFIPXVFZSA-N 465.598 2.876 30 10 JFEE C#CCCCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722323355 UHULEXDGSSAMGK-WRALFONMSA-N 459.635 2.669 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722366125 PWPKVKKGGFYWGW-REWPJTCUSA-N 491.683 2.592 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722366455 QDOXWSAFAYOWOO-PKTZIBPZSA-N 499.681 2.769 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CN(CC(C)C)CCO1 1722373254 GIFBQYRZIRDXFJ-NHCUHLMSSA-N 453.562 2.987 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(NC(C)=O)nc1 1722398097 XMUYZNDZHUQHJC-JOCHJYFZSA-N 456.506 2.655 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1722430947 CYXMPLFJXOOUOA-QHCPKHFHSA-N 486.624 2.546 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCN(CC)CC)CC1 1722438215 OMRBIHMTUOFPKG-UHFFFAOYSA-N 490.656 2.723 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1722449240 OMVUDQUYZFJFIW-NRFANRHFSA-N 477.638 2.594 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1722489026 GDUGPHLDFNCRDN-UHFFFAOYSA-N 486.374 2.891 30 10 JFEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722545329 BCTIPFKPNBBBDL-ZBFHGGJFSA-N 461.950 2.686 30 10 JFEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCCN(S(C)(=O)=O)CC1 1722736419 WPKCVOBKYZIRCJ-UHFFFAOYSA-N 456.037 2.989 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCN(C)S(=O)(=O)CC 1726998843 AKTWQDUSBOAIFM-GOSISDBHSA-N 491.637 2.801 30 10 JFEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C(F)(F)F)cs2)CC1 1729728551 HJRZBOMTLURFEW-UHFFFAOYSA-N 490.515 2.996 30 10 JFEE 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C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCC2)CC1 1740791969 CNUMCAJSSGGNSE-NRFANRHFSA-N 490.649 2.854 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740807936 SHKXZJIRGNNUNE-JOCHJYFZSA-N 474.949 2.529 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740814733 BEBJJLLSBPVUQS-UHFFFAOYSA-N 457.959 2.657 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CC1 1740818015 ANKWGBUZZUNOBL-GOSISDBHSA-N 458.994 2.739 30 10 JFEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740861291 IKGOUJZQLLAGFZ-KRWDZBQOSA-N 459.620 2.686 30 10 JFEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 1740887263 FWHIWMJREKMJBN-OALUTQOASA-N 481.644 2.607 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1740932702 UIPZLYSFJWQVMT-GOSISDBHSA-N 470.574 2.926 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC[C@@](C)(C(=O)NC)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1740968103 BEKVUQVGAJQALY-JWQCQUIFSA-N 469.586 2.506 30 10 JFEE 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2.940 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749735424 SHRDRUXGBALBSX-MOPGFXCFSA-N 473.647 2.535 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OCC(F)(F)F)nc1 1751089275 DVUAGLXGKBHFAP-OAHLLOKOSA-N 465.480 2.831 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1C 1751318291 AXVJWPOSYSLPPZ-DNVFCKCGSA-N 490.605 2.758 30 10 JFEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(N3CCOCC3)CCSC2)cc1 1751554844 DOSQTOSYKUCVBR-HYBUGGRVSA-N 470.643 2.969 30 10 JFEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1752419517 CLBWAFZJIAIFRO-KNQAVFIVSA-N 468.602 2.701 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCN(C)CC(F)(F)F)c1 1760128790 SJSPOHYTNCYYDX-SFHVURJKSA-N 478.519 2.722 30 10 JFEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760130523 LCMHNLGAFFZGOQ-CTNGQTDRSA-N 483.613 2.931 30 10 JFEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760131377 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C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1761356238 CJSBSKXBUCEKFZ-MAUKXSAKSA-N 491.438 2.717 30 10 JFEE CCCOc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cn1 1764617196 FRKSXGWKDGMZJY-SFHVURJKSA-N 452.490 2.957 30 10 JFEE CCN(CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1766880382 FRCDXWZRQNBTIP-LJQANCHMSA-N 456.547 2.939 30 10 JFEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccco1 1766887387 GOJPWQHNYBEAQW-HXUWFJFHSA-N 468.583 2.726 30 10 JFEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)CC1 1769468300 ACSNALDYMOYQNV-UHFFFAOYSA-N 450.503 2.684 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1771112141 GXRZRGPXPBMXQB-VSKRKVRLSA-N 487.626 2.715 30 10 JFEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1771447445 GAUPSYLMGZGPIY-IBGZPJMESA-N 457.600 2.992 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1772516190 QNXXASWYKVOXEK-ZEQKJWHPSA-N 459.550 2.920 30 10 JFEE 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COc1ccc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc1S(=O)(=O)NC1CCCC1 1130064540 AIDMNKPKMNLESS-UHFFFAOYSA-N 456.524 2.508 30 10 JFEE C#CC[C@@H](NC(=O)c1cc(Br)cc(I)c1C)C(=O)OC 1161365094 OOHAEQDGMUHDEI-GFCCVEGCSA-N 450.070 2.657 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2Cc2cnn(C)c2C)c1 1286311992 SWPPAWQDVGSGGY-UHFFFAOYSA-N 474.594 2.780 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1286369401 OPIGGURSOPZANZ-QGZVFWFLSA-N 479.585 2.907 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1286388336 NPEXDBAQJXTCTE-HNNXBMFYSA-N 488.944 2.863 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCCC1 1286414456 WUNHQGHOEVKUAU-UHFFFAOYSA-N 468.602 2.511 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](F)C1 1286467697 TUWUVVDDRIOXQG-QYZOEREBSA-N 465.570 2.811 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1286578751 JJBVFYCPLRBQIG-FGZHOGPDSA-N 452.603 2.637 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286601616 QWRHJDWKCHFBRI-UHFFFAOYSA-N 468.558 2.834 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286626392 UVTHHTSBWPVBCU-IIBYNOLFSA-N 489.020 2.704 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286637339 BTTFHCVHEYBMNC-LJQANCHMSA-N 490.626 2.913 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1)C1CC1 1286736202 CFWQKGHUJNOAAQ-HXUWFJFHSA-N 477.656 2.677 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1286779041 DANDSMMDQQLXKJ-JOCHJYFZSA-N 497.518 2.794 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1286799200 SWDWSGQFXPVPNE-CEMLEFRQSA-N 483.613 2.761 30 10 JFEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286823286 TYDLXENTZBYXGS-UNMCSNQZSA-N 457.644 2.727 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1286959158 DYFNSPSDXQWSHX-SFHVURJKSA-N 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C[C@@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCNC(=O)C(C)(C)C)C[C@@H](C)O2 1305204816 BWNRQAKGEAKAIE-MVYHEMRASA-N 496.612 2.664 30 10 JFEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)NCC)CCC2)C1 1313459315 GZCBFQWQXGAWBO-NRFANRHFSA-N 477.613 2.866 30 10 JFEE C=CC[C@]1(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1356516012 OOSOLOAAQHJVDT-JOCHJYFZSA-N 451.589 2.899 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1358919190 VLIBOGYVRNWXSM-HXUWFJFHSA-N 486.642 2.668 30 10 JFEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1358928131 UBZLSUZBPKIUHA-UHFFFAOYSA-N 462.558 2.591 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1358961677 CYHAFNSGHTVSIK-WOJBJXKFSA-N 474.652 2.877 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358962629 UAHBKPPTZBLOEU-UXHICEINSA-N 461.657 2.927 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1358963151 CQBJIJUJHJBTEA-LJQANCHMSA-N 462.591 2.827 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1358964121 UEOFEJMSDVPHEY-ZACQAIPSSA-N 466.529 2.912 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(COC)CCCCC2)CC1 1359046719 CPHYDQZPBNFISX-UHFFFAOYSA-N 481.645 2.702 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1359047602 MXCOYJDDSCCLPH-HRFSGMKKSA-N 479.625 2.936 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359106621 KXPZPDOXNRJEPA-IBGZPJMESA-N 453.591 2.585 30 10 JFEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359127873 COIVBDXNCXQRIQ-QFIPXVFZSA-N 454.619 2.763 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(C(=O)OC)CC1 1359230829 HBNKIFBNSMOGQF-UHFFFAOYSA-N 460.966 2.962 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1359256309 BQIMQGRMZYUEAP-FQEVSTJZSA-N 494.625 2.639 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCC[C@@H]1C 1359260113 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Cc1cc(CNC(=O)[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2284022941 ONFAGMBYQQGIMW-SJORKVTESA-N 480.436 2.902 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2284052056 CIFKSRYNWTVRGT-CABCVRRESA-N 481.424 2.521 30 10 JFEE Cc1csc(CNC(=O)C2=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2284054546 FHJXKZQTTSLVQW-HZPDHXFCSA-N 478.420 2.556 30 10 JFEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2284058686 OGIUDYCXCXFRHZ-IRXDYDNUSA-N 480.436 2.936 30 10 JFEE Cc1cc(CNC(=O)[C@@H]2[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@@H]32)sc1B1OC(C)(C)C(C)(C)O1 2284068904 JVWGRINNOCBQQX-BBWFWOEESA-N 478.420 2.606 30 10 JFEE CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2286394693 RNWGGXXLTXFKAD-XMMPIXPASA-N 471.432 2.541 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(CC#N)cc2)C1 2287598660 HXBZSPGMLHAJNW-UHFFFAOYSA-N 494.614 2.887 30 10 JFEE C[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288576454 QSVKILBVFIVQCH-OAHLLOKOSA-N 478.420 2.898 30 10 JFEE C=CCN1C(=O)C(=Cc2cc(I)c(OCC)c(OCC)c2)C(=O)NC1=S 2294204951 WYHPWVUVZPPQDQ-UHFFFAOYSA-N 486.331 2.901 30 10 JFEE Cc1ccc(S(=O)(=O)NCCN=Cc2cc3c(cc2Br)OCO3)cc1[N+](=O)[O-] 2297616313 OTIMKLBOKXRAJH-UHFFFAOYSA-N 470.301 2.792 30 10 JFEE CCCn1c(N2CCC(C)CC2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314462458 SBZRWXUYJYFHQO-UHFFFAOYSA-N 474.608 2.961 30 10 JFEE CCCOc1c(OC)cc(C=NNS(=O)(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 2323374771 HQRUHMGZQWVOQT-UHFFFAOYSA-N 453.473 2.722 30 10 JFEE COc1cc(C=Nn2c(SCC(=O)NCc3ccco3)nnc2C(F)(F)F)cc(OC)c1O 2331129928 GXLGLFHKGRXVPN-UHFFFAOYSA-N 485.444 2.903 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2359281005 IWCTVYNKHYNPJM-BXWFABGCSA-N 457.380 2.756 30 10 JFEE CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN(C(=O)OC(C)(C)C)CC1 2362344176 OKVRPEQVMABJAH-UHFFFAOYSA-N 462.400 2.629 30 10 JFEE Cc1scc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2369541038 ZYUCRGJYLHEJPF-BHYGNILZSA-N 480.436 2.750 30 10 JFEE N#Cc1ccccc1Cn1c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2sccc21 20151431 KUXOUCZIBRZPKP-UHFFFAOYSA-N 488.525 2.580 30 10 JFEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2N)cc1 20913416 FUJYIEJZVIEKEO-AUEPDCJTSA-N 473.946 2.917 30 10 JFEE C=CCOC(=O)c1sc2nc(CN(CCOC)C[C@@H](O)c3ccccc3)[nH]c(=O)c2c1C 36206770 UXDRUZVAYRVREC-QGZVFWFLSA-N 457.552 2.818 30 10 JFEE CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/N=C/c3ccc([N+](=O)[O-])cc3)NC2=O)cc1 39843401 ANKPVBXAGOHZTF-QQZPLFJDSA-N 469.479 2.722 30 10 JFEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n2)cc1OC 59844098 NASSDXQMCCLZMF-FSJBWODESA-N 485.526 2.627 30 10 JFEE COC(=O)c1ccc(NC(=O)CSc2nc(N/N=C/c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 253572730 QNMCPHUNKFAUJL-KEBDBYFISA-N 455.456 2.676 30 10 JFEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)N[C@@H]2CCS(=O)(=O)C2)cc1 254770474 AYUXMDSEKUDMHZ-LJQANCHMSA-N 453.593 2.833 30 10 JFEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 654765784 JXQUDJPVEUSREJ-UHFFFAOYSA-N 494.956 2.915 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)ccc2c1=O 726984058 IRADMYJRLGTBKL-UHFFFAOYSA-N 454.474 2.544 30 10 JFEE C#CCN(CC(=O)O)C(=O)c1nn(C)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 757513152 HDXPRJIZSGJMDU-UHFFFAOYSA-N 458.474 2.941 30 10 JFEE COc1cc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)ccc1Cl 1084137952 GCFDEPZMENOIGV-UHFFFAOYSA-N 492.993 2.839 30 10 JFEE CC[C@H](C)Sc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)s1 1084215311 IFOXHKDDKOZKTE-VIFPVBQESA-N 466.622 2.766 30 10 JFEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2cc(Br)ccc2O)n1N 1084410860 CTEVRGCFLKETKT-UHFFFAOYSA-N 492.359 2.645 30 10 JFEE O=C(CSc1n[nH]c(NN=Cc2c(O)ccc3ccccc23)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084459931 KNSHCBAVIGUQIJ-UHFFFAOYSA-N 487.501 2.724 30 10 JFEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2c(F)cccc2F)n1N 1084644410 BWAIMFCNGPJWQL-UHFFFAOYSA-N 463.518 2.841 30 10 JFEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cnc4ncc(Br)cc4c3)C2=O)cc1 1139811141 FMCAVROYQRQIOC-GOSISDBHSA-N 450.296 2.795 30 10 JFEE C=CC1(CC(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1155643715 TVSDDJCAOPLDJZ-QGZVFWFLSA-N 451.589 2.673 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)OC(C)(C)C 1286275699 UBGVIQCMZXNKFI-OAHLLOKOSA-N 460.966 2.844 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1286387468 RBKZZTCSQKHTLD-GOSISDBHSA-N 455.971 2.977 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1286388193 LUUIBWUKRARIEB-QGZVFWFLSA-N 466.007 2.683 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1286396026 UAJVCKQFDYASJW-INIZCTEOSA-N 451.643 2.811 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1cccs1)N(C)C 1286401465 NYMDVQDLRXKILQ-FQEVSTJZSA-N 467.620 2.786 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(OC)C2CC2)CC1 1286485021 ANSVOPNXVRQKEE-NNPDTBDGSA-N 472.634 2.619 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1286503477 BDJFGTMQUYKAFQ-NRFANRHFSA-N 484.626 2.694 30 10 JFEE C#CCSCCn1c(N2CCC(Oc3ncccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1286513333 SYPGYQRHUZAJFL-HSZRJFAPSA-N 475.590 2.879 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286548142 RPYOADJYLKTAHC-SUWCGCSTSA-N 469.652 2.511 30 10 JFEE C=C(Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOC)CC1)c1ccccc1 1286617572 PKYCKKQSDSVLNQ-UHFFFAOYSA-N 461.570 2.818 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCOC2)C1 1286810470 ROGLXRSWYMNQBN-XUVXKRRUSA-N 477.606 2.794 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286815418 UNSHWFPKSGQGKS-NHCUHLMSSA-N 476.599 2.711 30 10 JFEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286826831 UYIBUDSKXSDHIO-QGZVFWFLSA-N 464.613 2.657 30 10 JFEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300342153 PTHXZJAUJLFNFG-UHFFFAOYSA-N 480.432 2.983 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300498300 IVSDHPBIAPFINU-QHCPKHFHSA-N 471.671 2.923 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300498995 OMNFMWIOUSMFHC-INIZCTEOSA-N 468.982 2.975 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCSC1 1300665070 XDLLMPJDZXKHAX-QGZVFWFLSA-N 452.584 2.514 30 10 JFEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ncnn1C(C)(C)C 1300674742 DWLUMVMHYSFFQT-UHFFFAOYSA-N 451.575 2.955 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(I)cc1 1300675973 JELNWQGPOUCNEF-QGZVFWFLSA-N 466.323 2.869 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1300697640 FXOAPKLRKRAUEA-FQEVSTJZSA-N 469.586 2.739 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1300718743 WELNMMLOKLKKBM-RTBURBONSA-N 452.603 2.933 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1300849534 QQDHFWGXTAYDBW-MRXNPFEDSA-N 499.431 2.999 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1ccnn1C)C1CC1 1300863070 HSRKILWLAAQGNP-YOEHRIQHSA-N 451.369 2.813 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300892187 QFNXSWZCNJFOJX-QPPBQGQZSA-N 487.670 2.953 30 10 JFEE C=C(C)COCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301002460 ZTGBODJNOUYARQ-OTWHNJEPSA-N 497.662 2.655 30 10 JFEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301050644 CLZFIHBHMUUEEF-INIZCTEOSA-N 461.979 2.816 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301137643 UMHQXNFVSVKANA-KNQAVFIVSA-N 487.693 2.788 30 10 JFEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1301467561 ZKDBFVBLCMBEPA-HXUWFJFHSA-N 452.603 2.655 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1301508362 IUJCGKGXISITQZ-OAQYLSRUSA-N 466.611 2.774 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(C)c2)CC1 1301589680 WEJJNGRCFALIKJ-NRFANRHFSA-N 459.616 2.756 30 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466.648 2.639 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)[C@@H](C)CC 1358991607 INMTXGVNNHLPKU-FQEVSTJZSA-N 459.598 2.868 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2cccc(Cl)c2)n1 1359028129 IBDQXNVEDGDXTQ-LJQANCHMSA-N 454.962 2.966 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 1359040628 BZBBTDNWZQSRSG-UHFFFAOYSA-N 457.962 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOC2CCCCCC2)CC1 1359046455 SAWPNGKRXIUMEV-UHFFFAOYSA-N 464.614 2.969 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1359099160 KQBAPEULRWCUNN-JZXOWHBKSA-N 451.618 2.563 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(=O)N2CCOCC2)CC1 1359162462 RJQMEOMVHZBREN-UHFFFAOYSA-N 455.559 2.758 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359183520 NELRBECFFFXJNV-INIZCTEOSA-N 492.646 2.791 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1)c1ccccc1 1359195556 OLGATIUPCSGFLE-NJDAHSKKSA-N 491.683 2.913 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1359256420 FELADDFUROAKAE-BDTNDASRSA-N 484.626 2.892 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC=CO1 1359281849 LAZHBJGTLIJCAM-MOPGFXCFSA-N 463.579 2.918 30 10 JFEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359285499 LYKIHCWWGZIYIU-UHFFFAOYSA-N 477.407 2.549 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359301763 KKWJALIVIZBAGZ-UHFFFAOYSA-N 465.989 2.848 30 10 JFEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359303282 JBMWUGMUIYPCCL-QGZVFWFLSA-N 475.519 2.656 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359329319 FSXOFAPVACDXCS-RHSMWYFYSA-N 469.489 2.574 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1359332603 BRLSRSRWJBTOND-KRWDZBQOSA-N 489.548 2.801 30 10 JFEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 1359513070 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JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](CC(C)C)N(C)C)c1 1587692709 IYLLNFICZSGVSH-UNMCSNQZSA-N 452.603 2.815 30 10 JFEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)C(=O)C1 1587765088 APJBQCKZCPFIRP-UHFFFAOYSA-N 464.618 2.560 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1588041745 ZLGTZEOQEMVGOS-OAQYLSRUSA-N 495.605 2.813 30 10 JFEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cscc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588055796 ZQYHDSKDJXYVIS-DZGCQCFKSA-N 474.530 2.537 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1588074604 OYRRHFRNUJDMHU-GOEBONIOSA-N 485.429 2.629 30 10 JFEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1588159158 QOTVHXPFSZJIRW-AUSIDOKSSA-N 450.612 2.618 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1588800302 CWVNCENXEQKBLA-IBGZPJMESA-N 455.607 2.542 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1588848394 DJVVPLLYCLDOPB-QFIPXVFZSA-N 479.629 2.666 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)(F)F)CC1 1588961546 DBNIUHUDMIVKNM-UHFFFAOYSA-N 490.486 2.621 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 1589216221 LXBOLGCBWFOUIT-HSZRJFAPSA-N 491.658 2.962 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1589482251 IFMRGBIJJAURPF-GBESFXJTSA-N 476.622 2.843 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1589544542 IJTISWJFVZYDJF-JQVVWYNYSA-N 490.626 2.815 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589558534 LQRAKENDAAPYLQ-MSYCTHLASA-N 486.642 2.757 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1589581646 UUEWSDLUPXEZDO-MCEYFSPLSA-N 491.677 2.847 30 10 JFEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1593757850 OXRDXUCXNPJQNS-XMMPIXPASA-N 455.559 2.696 30 10 JFEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1594551904 CDMUMVAWVGUTCM-VQTJNVASSA-N 452.559 2.647 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC1CCCCC1 1594895630 LFSMQZYHEIORNE-UHFFFAOYSA-N 474.631 2.657 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1595259735 BVDGWGKGKDBBEA-QHCPKHFHSA-N 492.548 2.525 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnn(C)c1C 1595496930 LIWYDEXJMLAVHQ-UHFFFAOYSA-N 458.364 2.688 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCOCC2)C1 1595673250 GGJIKJIFCQGZJJ-QFIPXVFZSA-N 468.602 2.651 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595777839 RIDWULOEVQTVKW-UHFFFAOYSA-N 461.588 2.603 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1595804636 DGAYVBWBQBJABK-HXUWFJFHSA-N 490.580 2.995 30 10 JFEE CC(C)(C)C(=O)NCCn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1596957117 GKOCCUWYKDBIHI-UHFFFAOYSA-N 463.630 2.977 30 10 JFEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1602907467 CIUMQPFAXPJEFZ-GOTSBHOMSA-N 479.629 2.794 30 10 JFEE CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1606795692 HGGCTPCDYIIFNS-CPJSRVTESA-N 483.592 2.754 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)N(C)C)CCCC1 1611286058 CNTCXORPVVNFTO-QGZVFWFLSA-N 472.615 2.736 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1613426218 BHXKOIWXNPKUPM-IBGZPJMESA-N 480.617 2.705 30 10 JFEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC[C@@H]2CC)CC1 1615968404 FYFKBKUMTSXKOV-QFIPXVFZSA-N 494.644 2.845 30 10 JFEE COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1618915843 ALJTUDMOAORUGD-UHFFFAOYSA-N 471.993 2.677 30 10 JFEE CO[C@@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)cs1 1618925602 HMQLSPGVXVGIAY-AWEZNQCLSA-N 460.585 2.510 30 10 JFEE CN1CCN(c2ccc(C(F)(F)F)cc2CNS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1621805199 CEHINHVWPXIILC-UHFFFAOYSA-N 452.502 2.948 30 10 JFEE COc1ccc(-n2ccnc2SCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1638202702 CPQHIQCKRJNKEG-MAUKXSAKSA-N 457.556 2.848 30 10 JFEE C#CCCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1638381420 KZESWZUOHDYJEI-UHFFFAOYSA-N 453.608 2.844 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)COC)c1 1648746603 FSEYOQBWHRAJPE-NRFANRHFSA-N 452.960 2.849 30 10 JFEE CCC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1649634320 AHQXCUIXOFAMPJ-RTWAWAEBSA-N 452.559 2.964 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2CC)c1 1689868627 MMUODBOKLGJYMX-YIXXDRMTSA-N 494.640 2.859 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)c1 1689872464 ZEFXYFDMDWGYEU-MHECFPHRSA-N 465.579 2.807 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1689907509 AUIIEVKYNYEVHA-UHFFFAOYSA-N 454.575 2.928 30 10 JFEE C#CCCCn1c(N2CCCN(C(=O)CC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1689941785 VDJZMZMLDOCORB-RUZDIDTESA-N 457.619 2.963 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689980845 YFMBRYJZSCJQKL-YADHBBJMSA-N 456.612 2.873 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1689993329 AYTTXENNVXZWNQ-IBGZPJMESA-N 487.532 2.540 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689997198 XOUZBDHWPVOINH-PKOBYXMFSA-N 479.002 2.564 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2CCCCO2)CC1 1690152641 SLJVODLWYIEMFV-OAQYLSRUSA-N 469.561 2.921 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690251737 YPOFNHJDYLOXEV-ADGBJGEGSA-N 454.619 2.791 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690346260 OWGOQWPQIBEWJB-RBUKOAKNSA-N 497.040 2.640 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCSCC3)cc2)CC1 1690396862 OGJXJLIXMNJXPK-SFHVURJKSA-N 490.699 2.892 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC1 1690417221 JMNHVPXILSARDI-SFHVURJKSA-N 482.651 2.644 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690420478 OJEZTQLNVZYXGP-OAHLLOKOSA-N 498.053 2.982 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690500020 JFVVYDMMPYXOPU-LEWJYISDSA-N 455.559 2.802 30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)C1CC1 1690545016 HWGFGKOZEACITP-XLIONFOSSA-N 471.627 2.912 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1690674239 UJMXSHGHXSPGKS-IRLDBZIGSA-N 451.619 2.657 30 10 JFEE C=CCNC(=O)Cn1c(N2CCN(c3ncc(Cl)cc3Cl)CC2)nnc1C(C)(C)C 1690678401 VFEASUZGKABWRQ-UHFFFAOYSA-N 452.390 2.906 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1690729168 HZDNAINCIWFVSZ-HXUWFJFHSA-N 475.640 2.907 30 10 JFEE CC(C)(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1692877824 GDCPBTKEFKGJQC-VWLOTQADSA-N 466.586 2.993 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCO[C@H]2C)cc1C 1693110367 CXBQXKBTZFNKKD-UUOWRZLLSA-N 452.559 2.817 30 10 JFEE Cc1cccc2[nH]cc(CCn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCC(C#N)CC3)c12 1693225261 HMWPPKFEXABVDI-INIZCTEOSA-N 455.588 2.661 30 10 JFEE CC(C)[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1693745022 BYKMGGOKXRMYAI-AVRWGWEMSA-N 478.576 2.792 30 10 JFEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1693864034 BBPHDKWNWNEKIN-SFHVURJKSA-N 477.535 2.612 30 10 JFEE CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)N(C)C 1694300951 HIPUTIIFCNBMKP-IRLDBZIGSA-N 481.601 2.736 30 10 JFEE CC[C@H]1CCCCN1CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1694858739 HGQFAZNJWCQLPL-UGKGYDQZSA-N 454.575 2.859 30 10 JFEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1695664557 HWJIOSBUJSENJO-NLFFAJNJSA-N 468.602 2.845 30 10 JFEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1695966093 GPLWTFBTAHDRQS-UYAOXDASSA-N 468.558 2.822 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1695977002 AUNVYLIRTBNEMX-OALUTQOASA-N 484.557 2.606 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N(C)C)CCCC1 1705572585 HREDTTHDMRMFJS-UHFFFAOYSA-N 452.990 2.809 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC(F)F 1705611245 VDDMLPDZPQPMJY-UHFFFAOYSA-N 479.491 2.739 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)COC)CC1 1705639142 HHRSIINJRSYJAP-UHFFFAOYSA-N 474.650 2.820 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCC[C@H](C)C2)CC1 1705646666 MVOPLZQKHMNZEN-IBGZPJMESA-N 479.585 2.551 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)c2ccc(F)cc2)CC1 1705652624 HFRQOPOHVSCXHA-JZWVFAODSA-N 483.588 2.911 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705694672 SOWFYVHAYFFZNZ-GGPKGHCWSA-N 453.591 2.593 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1705717434 KHJCQDAEFNNKJF-AWEZNQCLSA-N 458.510 2.634 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1705754796 GDGZVTAEGNMXJQ-ZDUSSCGKSA-N 456.952 2.726 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H]2CC)CC1 1705781521 BMHTZQPSJYZFKZ-AQNXPRMDSA-N 451.637 2.840 30 10 JFEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1705835979 ZTMUYOBGOKAOLA-UHFFFAOYSA-N 467.555 2.532 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(C(N)=O)CCOCC1 1705838364 MNQGMRWZQOQDJK-UHFFFAOYSA-N 452.328 2.751 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705859771 FUSNDBSFRFOYDB-FCHUYYIVSA-N 484.626 2.865 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)N2CCN(CC)CC2)C1 1705923734 MHQZJCYDSKAKNS-WOJBJXKFSA-N 474.600 2.954 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(C)C)CC1 1705931446 PTBWAIARTIRGBJ-UHFFFAOYSA-N 471.583 2.597 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705932700 YHEJRKQGJXJDHN-UHFFFAOYSA-N 473.574 2.587 30 10 JFEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn2ccsc2n1 1706081851 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453.612 2.686 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1286512275 UKQSIPFNCLYITH-UHFFFAOYSA-N 461.595 2.562 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1286747165 ILTXRFLNRGNLEL-DLBZAZTESA-N 475.644 2.917 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286770245 DBNYHHOALLGXLS-IBGZPJMESA-N 455.588 2.728 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286780073 PSWCCSYHUKNAPM-SFHVURJKSA-N 495.584 2.520 30 10 JFEE CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1292253985 HBZHDMRHINGSMG-MSOLQXFVSA-N 486.573 2.898 30 10 JFEE C=CC[C@@H](CO)NC(=O)c1cc(I)ccc1I 1297174948 AFUGMZDOOJNWLY-VIFPVBQESA-N 457.049 2.563 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1300307998 LCLMWFGVGYCGDB-LEWJYISDSA-N 487.693 2.877 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300482894 IMBVOOKOOYEWQC-MJGOQNOKSA-N 490.651 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10 JFEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCS(=O)(=O)C1 1359280962 JWLIRCBSECFVQT-QGZVFWFLSA-N 457.556 2.674 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCc1cnccn1 1359294135 LJTUXBLGOVFPHF-UHFFFAOYSA-N 474.338 2.618 30 10 JFEE CC(=O)Nc1ccc(CCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1468647658 DJJCYBRTDZFDPC-UHFFFAOYSA-N 457.538 2.981 30 10 JFEE CC[C@H]1CCCCN1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1499458924 BSJOTULFEHEUKR-PMACEKPBSA-N 454.575 2.956 30 10 JFEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccsc1 1503378489 BLSYDQIARHCBDD-VQTJNVASSA-N 470.624 2.804 30 10 JFEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C1 1503844691 FQXYSVFUTBPKSM-GOSISDBHSA-N 450.474 2.819 30 10 JFEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CCOC1 1504056696 FQDHZALHNXKRDA-RDPSFJRHSA-N 455.559 2.786 30 10 JFEE COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)c1 1504137317 CLEIUFDIFCIWJM-AWEZNQCLSA-N 491.390 2.737 30 10 JFEE 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1507979731 CADWIOILAUWRAC-FQEVSTJZSA-N 484.601 2.947 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CCOCC1 1507996164 GSSMLLCTJAVFPP-GOSISDBHSA-N 472.615 2.769 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1508038341 IOIWVYJZJFRZLB-DLBZAZTESA-N 487.548 2.650 30 10 JFEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508071345 YTLQAWPOLJFWIO-UHFFFAOYSA-N 451.575 2.724 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccs2)CC1 1508135337 HZNRFQMQMLIIOI-UHFFFAOYSA-N 479.031 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1508135426 MIRVGTZAGBFRGT-CXAGYDPISA-N 484.420 2.640 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1508141795 OOTQWQYACCKMGR-VQTJNVASSA-N 464.563 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)c1cccc(C)c1 1508143176 KFSJEXGTXXLBTM-UHFFFAOYSA-N 459.597 2.947 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508148416 HFLHVDSONMJVMO-KRWDZBQOSA-N 496.058 2.636 30 10 JFEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1511876286 AAMTYTDQWIZJIZ-NHCUHLMSSA-N 451.619 2.670 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)[C@H](C#N)C1 1517004289 GIJKQLRDZMFNMU-CYBMUJFWSA-N 450.421 2.871 30 10 JFEE C=C[C@H](COC)NC(=O)c1ccc(I)c(I)c1 1518239495 UPMNMOPYHHRAGT-SECBINFHSA-N 457.049 2.827 30 10 JFEE C#CCN(C(=O)Cn1nnc2ccccc2c1=O)[C@H]1CCOc2ccc(Br)cc21 1529627500 PHUDYEBFBDFLPW-SFHVURJKSA-N 453.296 2.540 30 10 JFEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539052593 GSXKPQYFCBKCRU-IBGZPJMESA-N 452.621 2.743 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539213256 XKNVCIUROJYSGD-TXBYWVTISA-N 476.668 2.919 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539229403 BYTQDVQOTBAWGS-QHCPKHFHSA-N 493.633 2.645 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 1539274126 DEJUOBIOXQGZEE-GJYPPUQNSA-N 454.324 2.973 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539402914 LJUAPKUZMREXBZ-GOSISDBHSA-N 481.992 2.580 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1539429018 ZKGNUEAAJJMAOO-GOSISDBHSA-N 477.382 2.645 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1539518060 VFVCEAGAPFYKEX-KBAYOESNSA-N 466.654 2.575 30 10 JFEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1539519488 HOKKXAQHGGSNEJ-UHFFFAOYSA-N 463.567 2.865 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1539636211 JZFCMCJKWYPUKU-FXAWDEMLSA-N 453.008 2.984 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539735314 MXVOZFRWUDXIOV-UHFFFAOYSA-N 483.038 2.837 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1539783522 XQEIOXKCFSFOLC-FXAWDEMLSA-N 480.034 2.648 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1539824705 ZTIBSJZDDFVGTP-OALUTQOASA-N 451.999 2.984 30 10 JFEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 1539830236 RDYYFRSVJZMGPT-UHFFFAOYSA-N 468.945 2.927 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1539917468 DPHFQPRHHURERG-GOSISDBHSA-N 463.586 2.899 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1539917684 GOXAVEIJKSKDSP-ZWKOTPCHSA-N 486.621 2.634 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2)c1ccccc1 1539931752 OIEYHGXGHUUEIW-HXUWFJFHSA-N 450.587 2.883 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1ccnc1C)C1CC1 1540098381 ATXCXVCZFPNGPT-UHFFFAOYSA-N 455.588 2.555 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1540182761 YLCLWMBBNDLOER-HYBUGGRVSA-N 457.575 2.973 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1540853513 UKIGPEZOJVMGRH-UHFFFAOYSA-N 473.006 2.788 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540899074 CEOAHIGVDRNXLC-BTYIYWSLSA-N 484.981 2.723 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CC)C1 1540902360 HUBZWTJLWVYIHC-OALUTQOASA-N 497.662 2.609 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CC1(C)C 1541939638 BQFGVHCFOIXNML-HKUYNNGSSA-N 471.631 2.523 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 1543422165 CBSXYRVYVKHMCG-TZIWHRDSSA-N 457.571 2.740 30 10 JFEE C=CC[C@]1(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1546222838 LOKYHSBORWHNHY-JOCHJYFZSA-N 457.637 2.899 30 10 JFEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOc1cccc(Cl)c1 1546527357 CHWNMQHXOWNFOT-UHFFFAOYSA-N 454.966 2.813 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc2ccc(F)cc2c1C 1555557857 FDKWLADCZKQVCC-INIZCTEOSA-N 475.546 2.789 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1584254865 KDQVJIFIQPNJCT-CABCVRRESA-N 459.971 2.917 30 10 JFEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1587765783 KEHVUSFLRSOHQP-SFHVURJKSA-N 458.607 2.863 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588034711 KSYVDOSZOXMHID-GOTSBHOMSA-N 469.655 2.933 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588054175 LGMBYTUBSZLXBW-MOPGFXCFSA-N 479.647 2.722 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCN(C(=O)OC)CC1 1588190014 XPYHIYJAPLDJSC-UHFFFAOYSA-N 465.554 2.904 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1588724227 VWEGFKUIMLCACE-IFMALSPDSA-N 463.586 2.682 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)C(C)C)CC1 1588769249 QGIKOSZFGGVURK-UHFFFAOYSA-N 451.438 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2)CC1 1588961560 DKABZJBUCFYDIS-NRFANRHFSA-N 475.597 2.573 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC=CO1 1595100141 NENIPTPCWFGERT-RTWAWAEBSA-N 453.568 2.937 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCOCC1 1595120336 RMWFKTQHCBIMLZ-UHFFFAOYSA-N 463.586 2.581 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CC=CCC1 1595788942 LKFFCNXRKYYYBQ-SFHVURJKSA-N 492.671 2.632 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1595798024 LKSCLFOOMBKBIB-KRWDZBQOSA-N 497.021 2.612 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1595838335 PBVCCLLKOQXEFE-SFHVURJKSA-N 488.662 2.823 30 10 JFEE Cc1nnc(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1612519977 GDTZFPMPEULFDA-UHFFFAOYSA-N 459.539 2.836 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C)S1 1612977460 DIMZQGDFDATGGE-LMMKCTJWSA-N 475.640 2.884 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCC(C)(C)N3CCOCC3)C[C@H]1C)C2=O 1615245851 HLTPJZYIJUMLAE-JBEBIEQOSA-N 478.973 2.864 30 10 JFEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1617678042 IFFSDNQMUZHXLZ-NRFANRHFSA-N 451.619 2.563 30 10 JFEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1618635314 HWKPJBOEJZDCKR-HKUYNNGSSA-N 475.519 2.663 30 10 JFEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@](C)(O)c2ccco2)cc(OC)c1OC 1619078546 HKPMUZXOQPJFDL-XZOQPEGZSA-N 471.489 2.914 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 1628282779 FZYCMINKYKGHDO-NHCUHLMSSA-N 454.548 2.898 30 10 JFEE C#CCN(C(=O)NCCc1nnc(S)n1C)[C@H]1CCOc2ccc(Br)cc21 1636543461 JNSRGXVCKOVGQM-AWEZNQCLSA-N 450.362 2.577 30 10 JFEE C=CCn1c(SCC(=O)N2CCN([S@](C)(=N)=O)CC2)nnc1-c1ccc(Cl)cc1 1637507068 QVAXNCLGKYZFTQ-LJAQVGFWSA-N 455.009 2.612 30 10 JFEE C#C[C@H]1CCCN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1643853853 DKYVXXNCXHGBTL-FXAWDEMLSA-N 452.580 2.985 30 10 JFEE Cc1c(Br)c(C)n(NC(=O)C[C@H](C)n2cc(Br)cn2)c(=O)c1C#N 1648749760 BLELQTOPNXTWLU-QMMMGPOBSA-N 457.126 2.780 30 10 JFEE C=CCn1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(Cl)c1 1652741417 IJMYIYDCFMONTA-CJNGLKHVSA-N 455.005 2.911 30 10 JFEE N#Cc1ccc(S(=O)(=O)NCc2ccnc(OC3CCOCC3)c2)cc1Br 1662119530 FGGAKCMQVRJZRL-UHFFFAOYSA-N 452.330 2.752 30 10 JFEE C#CCOc1ccccc1CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1666685884 ZAOBHVMTESFRGB-ROUUACIJSA-N 457.552 2.818 30 10 JFEE C=CCOc1ccccc1CNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1666781910 HWPLVNHWKUFCGI-UHFFFAOYSA-N 458.584 2.899 30 10 JFEE C=C(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(F)c(F)c1 1681783663 NUYHTXXUTONUEN-YVDIRLSNSA-N 456.511 2.780 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(SC)CCC2)c1 1689868960 WLGWMTHNIFKRTO-UHFFFAOYSA-N 454.600 2.758 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1689916708 SLVHOADMOXBHEY-UHFFFAOYSA-N 468.558 2.623 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1689940163 PHCFDEKASBMORO-FQEVSTJZSA-N 453.587 2.969 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1689980343 QBPOJAKETXFHEN-IEBWSBKVSA-N 464.563 2.609 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1689982409 MUCAYQMQQQGAFP-AWEZNQCLSA-N 486.461 2.804 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC 1690039790 SDXVNABPTQCBAZ-REWPJTCUSA-N 452.555 2.867 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1690246397 UENMLNRJIHGCRV-JTJHWIPRSA-N 488.633 2.952 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCn1cccn1 1690251625 XCJSDNIXNYXDQF-FXAWDEMLSA-N 455.588 2.584 30 10 JFEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690297706 CVJIKZJVLCXKHX-GUDVDZBRSA-N 451.637 2.777 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690354690 XUBFFLGCTZNIMA-HTAPYJJXSA-N 489.020 2.607 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690424698 XGXURWGOYITWOP-UHFFFAOYSA-N 468.602 2.923 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1692661506 DVSCCWUNIXCGGO-JKSUJKDBSA-N 462.645 2.887 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCN(CC)S(C)(=O)=O 1705482683 FBVURCNIRVIFNA-CYBMUJFWSA-N 474.450 2.899 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705567106 TZXFGBMENSALKQ-HXUWFJFHSA-N 458.628 2.769 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1705618458 IFKVCLZIJHAADR-MSOLQXFVSA-N 465.620 2.777 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H](C)N1CCOCC1 1705625092 WQYSWONRBARRLB-KRWDZBQOSA-N 462.392 2.514 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)n1 1705632002 USODRTAXDLYVBZ-HSZRJFAPSA-N 459.554 2.869 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705642304 OQRBEUGVFKZYAW-QHCPKHFHSA-N 461.614 2.604 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1705648203 RSTUYXDZBGWIQV-NHCUHLMSSA-N 481.645 2.874 30 10 JFEE C#CCSCCn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1C(C)(C)C 1705665517 WEJAVYKPKUOKTO-WOJBJXKFSA-N 460.692 2.569 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1705674707 OOOUHFYYDJPSJP-YADARESESA-N 460.623 2.919 30 10 JFEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(N)=O)CC1 1705681721 BWAUPULUJMKYNP-UHFFFAOYSA-N 450.337 2.573 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705684182 IUGGYMGNJLRDSF-GOSISDBHSA-N 463.292 2.793 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1705687473 FDCZTSATDKKMNH-KRWDZBQOSA-N 498.422 2.550 30 10 JFEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705734286 JXIPCBCTEYNFDY-UHFFFAOYSA-N 499.641 2.584 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705746982 CAMMEUKAOJLOJU-GOSISDBHSA-N 477.009 2.780 30 10 JFEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705817977 XNPJLGAGOIYPHY-YRXWBPOGSA-N 495.646 2.612 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCOCC2)nc1 1705882914 OZRXLOVTWQEHSX-UHFFFAOYSA-N 469.977 2.912 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705934010 YMQTYXOSPPLYQG-HXUWFJFHSA-N 456.568 2.895 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 1705936202 LPFPUUMRSVLXTB-QYZOEREBSA-N 497.662 2.812 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722326851 XOGOJOPFGGDZGO-IBGZPJMESA-N 452.584 2.880 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(C)(C)C(=O)NC)CC1 1722434242 MRDXJJJALUQIQK-UHFFFAOYSA-N 476.581 2.645 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCc2cnn(C)c2)CC1 1722442894 GVSWDXVBKLGPGK-UHFFFAOYSA-N 459.598 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1722444858 GVPYSALYUNPOFM-FQRUVTKNSA-N 465.646 2.760 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[S@@](=O)C(C)(C)C)CC1 1722449116 GUQRODQYTCBCEL-MGBGTMOVSA-N 469.655 2.576 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1722467004 KBXDFOXMBXTYBM-NPPFBWRTSA-N 476.672 2.779 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCCS(C)(=O)=O 1722497536 XKLBEEPQJZVMLO-FXAWDEMLSA-N 462.572 2.526 30 10 JFEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1722543179 FRWKEKRLIAMBMQ-FXAWDEMLSA-N 484.008 2.931 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)CC1 1722579995 FGXBIZHMVBIMFS-RHGYRFJNSA-N 458.607 2.930 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722592969 DDAQJRIYYLVTHJ-LVXARBLLSA-N 488.677 2.664 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1722667521 VVTXBHQGXMGLJM-FBLLAGFSSA-N 459.635 2.866 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722698748 LNRVLVFWSVIRKB-UHFFFAOYSA-N 459.639 2.770 30 10 JFEE C=CCSCCn1c(N2CCO[C@H](c3nccs3)C2)nnc1[C@]1(OCC)CCOC1 1722740049 OUNPIBIDIGQQTE-JXFKEZNVSA-N 451.618 2.884 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1740617387 QHMSQCXZOXHGAD-YADHBBJMSA-N 466.611 2.734 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740624282 FCKBTNFLKTZWRW-PMACEKPBSA-N 462.591 2.696 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(C)noc1C 1740677999 XASNMMHLKPAYCM-INIZCTEOSA-N 474.562 2.515 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1CCN(C(=O)OC)CC1 1740686867 XWWFJMFQXURTDL-UHFFFAOYSA-N 461.513 2.712 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740713031 CDPWFBFKMOIQIK-LJQANCHMSA-N 479.610 2.718 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1740731003 MWOILZSOOIZLCN-HOYKHHGWSA-N 458.607 2.911 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740753077 FHZCKBRKIBFDES-DOXZYTNZSA-N 477.407 2.694 30 10 JFEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740775601 BATUBKLCBADWTH-KRWDZBQOSA-N 486.564 2.935 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740790997 QMOLJVSUBKNREX-UHFFFAOYSA-N 482.610 2.585 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)CC1 1740839543 KYVHSCVJMABHDH-WVMBUTMQSA-N 477.606 2.529 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1740934811 RIQDXDMNBGLSJL-QHCPKHFHSA-N 496.637 2.598 30 10 JFEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740945533 WWDMNTAINSSDJN-GOSISDBHSA-N 459.392 2.636 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740950525 UZMNLPYGLDHSIE-QZTJIDSGSA-N 476.622 2.904 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740961139 MYOXCIDQGZJJGE-LJQANCHMSA-N 471.005 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(NC(C)=O)CC1 1740987343 FHSMYMRVPWIZDG-MRXNPFEDSA-N 491.683 2.837 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740987490 UURDKXAZOZYFJN-JJTKIYQPSA-N 482.553 2.745 30 10 JFEE CC1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 1743124881 FZIYITVYZDJANY-WOJBJXKFSA-N 465.602 2.516 30 10 JFEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)CC(F)(F)F 1747924286 DOAYNMFYTNJADK-SFHVURJKSA-N 484.548 2.714 30 10 JFEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1748722178 UNVJLFDPLPJJHO-UHFFFAOYSA-N 494.615 2.752 30 10 JFEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1748739506 BDYHWVZUWAZZJU-LJQANCHMSA-N 452.559 2.760 30 10 JFEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1748740041 KOBYORBVCQZZON-UHFFFAOYSA-N 459.598 2.897 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748799995 PXMGMTDYCKPQDP-FQEVSTJZSA-N 458.994 2.523 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1748805433 RTTRSQXRVIHPKE-HNNXBMFYSA-N 480.413 2.772 30 10 JFEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748814409 FMVVCIRCVMZJNS-HNNXBMFYSA-N 465.457 2.789 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1748815574 RIVUAQZSSITODD-YADHBBJMSA-N 484.670 2.930 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](CC)N1CCCC1 1748859440 UULRBCMAXLZXCD-HBMCJLEFSA-N 454.619 2.996 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1748972371 HAHLOQIOJJDFQN-PZJWPPBQSA-N 465.602 2.522 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCNC(=O)OC(C)(C)C)CC1 1749000039 KWOJXNQCHGIHFQ-UHFFFAOYSA-N 468.602 2.699 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)CC)CC1 1749004466 JQFNMKTVHPMSSR-BXKMTCNYSA-N 457.550 2.684 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1749054522 VCCQLPNIYSRANJ-JLTOFOAXSA-N 451.980 2.591 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CC(F)(F)F 1749066503 KOOJVUDTSNIKPG-JOCHJYFZSA-N 476.551 2.938 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749220625 MBELNEWWCZGGRW-IBGZPJMESA-N 472.977 2.958 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749258210 PWNYENNLCSKFOM-UHFFFAOYSA-N 464.401 2.881 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1749343071 WJXKCKKLDKCKDF-WMZOPIPTSA-N 467.636 2.838 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749414850 KANXHBDCQSKCMQ-DENIHFKCSA-N 473.643 2.862 30 10 JFEE Cc1ccc(-c2nc(Cn3c([C@H]4CCS(=O)(=O)C4)nnc3N(C)[C@H](C)CC#N)co2)cc1 1751466520 HGKRYRMZXXDGRD-AEFFLSMTSA-N 454.556 2.930 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760100642 CQWXSAGKVCBECN-CQSZACIVSA-N 488.390 2.748 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1760122656 PGLUPKDRZPQOES-MRXNPFEDSA-N 484.607 2.535 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760131102 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451.596 2.934 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCS(=O)CC1 1286780583 OQNSYHLBEURFBD-MRXNPFEDSA-N 466.007 2.559 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H]1CCCOC1 1286783277 ITURNVRTTZPPGO-OAHLLOKOSA-N 478.391 2.881 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](COC)C1 1286783549 VEEGQARCHXGERE-GOSISDBHSA-N 471.558 2.967 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1286786939 MKGIYQMBRVXCCS-UHFFFAOYSA-N 487.395 2.979 30 10 JFEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)CC1 1286856111 GSWUJOLGQSBSBD-HSZRJFAPSA-N 466.586 2.993 30 10 JFEE CO[C@@]1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C[C@H](C)C#N)CCOC1 1299808756 GAVFGRKKLZTCLS-UZUQRXQVSA-N 462.595 2.794 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300345112 OYGPVKFCWDVPHM-QHCPKHFHSA-N 458.584 2.781 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCC[C@H]1C 1300438728 UIZSPBHXROCRDS-GOSISDBHSA-N 457.648 2.881 30 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1693835011 BTIBTKYVKCLWRZ-FQEVSTJZSA-N 460.586 2.787 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695607287 HEQWCFNZVBLXBM-IBGZPJMESA-N 486.628 2.787 30 10 JFEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1695905713 FSNPNFXNSYEVIH-RTBURBONSA-N 454.575 2.926 30 10 JFEE CCO[C@]1(c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CCN(C)C(C)C)CCOC1 1696079246 CBSSROYYCJXSKP-RUZDIDTESA-N 485.608 2.608 30 10 JFEE CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1696597524 GLZSLKAJAVFIGB-NZQKXSOJSA-N 456.616 2.819 30 10 JFEE COC1CCN(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)CC1 1697662744 FGWQCMCASTXEQG-UHFFFAOYSA-N 466.590 2.555 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCCC2=O)c1 1705480955 ZLVWYVQSANQLQM-CLOONOSVSA-N 451.571 2.952 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)N1CCOCC1 1705481509 HYQZCGFMGLGWRS-KRWDZBQOSA-N 457.575 2.540 30 10 JFEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1705585022 IDLBTUYVPVGUPZ-IBGZPJMESA-N 475.014 2.759 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1705619256 LRJVCLFHMNBGEY-SANMLTNESA-N 485.604 2.820 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCc1ccco1 1705623515 UWTLWOYFBFASAU-UHFFFAOYSA-N 472.343 2.703 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC2CCN(CC)CC2)CC1 1705642739 GFBRYBGXIXZAKD-UHFFFAOYSA-N 466.630 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1705647333 FIFZGIGLZYZASG-NLFFAJNJSA-N 450.587 2.962 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(CC(=O)N(C)C)CC1 1705680775 HEVKACCAEVVKRU-OAHLLOKOSA-N 458.401 2.605 30 10 JFEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705689904 DBHONTCLVRUKCN-HXUWFJFHSA-N 487.446 2.715 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC)C(=O)C1 1705697138 SHZNYAWZXBJLFM-RXVVDRJESA-N 454.531 2.893 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC)C(=O)C1 1705697140 SHZNYAWZXBJLFM-WIYYLYMNSA-N 454.531 2.893 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1705705111 CSRMUEJMCOVMTO-YOEKFXIASA-N 486.661 2.903 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705722702 VRYHEOKGNYRJMO-UHFFFAOYSA-N 465.421 2.746 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705738695 HLOVMLODYZDCME-XMSQKQJNSA-N 461.557 2.897 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1705794934 YUHQYLLAFJYKHH-UHFFFAOYSA-N 465.645 2.885 30 10 JFEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705812198 STKOQWAJTWZLQO-NRFANRHFSA-N 450.587 2.713 30 10 JFEE C=CCCOCCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1705833122 VCFALFZENJVIJA-QHCPKHFHSA-N 465.595 2.580 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1705939263 BTHMDDYQMIRXNM-VGOFRKELSA-N 458.588 2.619 30 10 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C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CCC)C(=O)C1 1722452306 ONLWQHISKIHNQD-UHFFFAOYSA-N 465.421 2.851 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722489264 OCEGWTMHKTYYLS-NSISKUIASA-N 471.396 2.612 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722702223 LNEXKLKJLKUAIU-UHFFFAOYSA-N 479.429 2.763 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccncc2)c1 1740564889 BBOKXHLDXSVAFH-URXFXBBRSA-N 474.565 2.696 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740575626 ULGLRDXYIRHGRO-KXBFYZLASA-N 462.538 2.513 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1sc(C)nc1C 1740632335 IEDXTZRCAOLANZ-UHFFFAOYSA-N 481.651 2.935 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740643544 KACOGLHTEVUNML-NHCUHLMSSA-N 465.598 2.826 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C2CC2)CC1 1740685853 NAZULURKUXJLRA-IBGZPJMESA-N 459.591 2.863 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1740691442 DFAJNLOTOAMBSS-UHFFFAOYSA-N 454.582 2.861 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCOC[C@@H]2CCCO2)CC1 1740692129 SHZIOIOENZCKQV-FQEVSTJZSA-N 474.005 2.948 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740744103 MRHRZPHBUQHBFC-OAGGEKHMSA-N 484.395 2.863 30 10 JFEE C=C(Br)Cn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1740748334 DQMQFMQDVZPUAB-JXFKEZNVSA-N 471.396 2.613 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 1740753225 GYMULUZBGMNTMA-FUHWJXTLSA-N 481.416 2.924 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740787406 CNQCBPHKHDEBDN-UHFFFAOYSA-N 497.600 2.581 30 10 JFEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2Cl)CC1 1740794551 CRTRYEMYCASDJR-SFHVURJKSA-N 480.034 2.753 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1740810307 BCAUQGVTJKKKTC-IEBWSBKVSA-N 478.018 2.579 30 10 JFEE C=CCCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OCC)CCOC1 1740867069 WQEUIZXNRIJIPT-VWLOTQADSA-N 469.586 2.955 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740868290 IFLDQIXOHITGDU-QFIPXVFZSA-N 478.018 2.843 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740888069 IPURWZXSLLSKMA-LJQANCHMSA-N 459.595 2.836 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1740952864 PTAFCVHVOLWDLC-DOTOQJQBSA-N 479.423 2.990 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 1740965675 KTVPWDWGQUHENF-QFIPXVFZSA-N 469.586 2.757 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CCOCC1 1740985032 ALEIHYDJWDSGGP-UHFFFAOYSA-N 475.615 2.611 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C2CCCCC2)N(C)C)c1 1748691999 AQHHDNZTKMHEIH-XZOQPEGZSA-N 491.640 2.796 30 10 JFEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1748710021 DHBCTHORDHAOAM-GBESFXJTSA-N 456.591 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459.341 2.701 30 10 JFEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300852797 DFYAGVCKSQKHBU-UHFFFAOYSA-N 465.359 2.766 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1300996739 JAVKFKCNBMSRTR-LJQANCHMSA-N 458.632 2.938 30 10 JFEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301189965 KGGVRGCNSWRBFJ-IBGZPJMESA-N 452.538 2.896 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1301529970 OPVVUUJIPNCNQV-WIYYLYMNSA-N 489.642 2.754 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C 1301596097 HSSDREXBUHAXKW-GOSISDBHSA-N 465.664 2.651 30 10 JFEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1301615810 WYLXSROKQYNZAY-FGZHOGPDSA-N 497.713 2.810 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301617753 GWCAHAUXGQRYDU-CQSZACIVSA-N 461.535 2.956 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(F)cc1 1301808486 DRNDMONJEVMFLU-QGZVFWFLSA-N 463.579 2.664 30 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474.627 2.753 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1689992081 GVZNFMHKWABBGX-NJEKYYFSSA-N 474.602 2.840 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1690008803 PMJJLIKSGBYZBO-HSZRJFAPSA-N 482.382 2.800 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1690043229 UMUPSYBAKLYZSS-DEOSSOPVSA-N 457.582 2.987 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1690047032 KRGZYHBILGMOIZ-QGZVFWFLSA-N 480.512 2.719 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@](C)(O)C2CC2)CC1 1690132689 WODCCPSFCNKWBU-QFIPXVFZSA-N 474.403 2.536 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2c(CC)noc2C)CC1 1690133716 QWHZTOTYZNEMCZ-UHFFFAOYSA-N 450.543 2.528 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690235167 YXDFZDQIPXFQCV-BZSNNMDCSA-N 482.423 2.653 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1690312928 HDLDADCQPHJFCG-PACVJBRTSA-N 480.656 2.708 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)ccc2OC(F)F)CC1 1690375778 UCURGLLZCSPZSD-LJQANCHMSA-N 497.568 2.726 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690470920 OVRMSOUVMHYGBT-HXUWFJFHSA-N 487.004 2.655 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCNS(=O)(=O)CC 1690520055 IIZXIJNTCMOKDP-UHFFFAOYSA-N 460.373 2.798 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690662243 WCRXQCNWZXNKJD-PXAQALGRSA-N 477.512 2.621 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1690665386 BLUHUJQJSGNWMG-IBGZPJMESA-N 465.558 2.512 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1690715230 GNJPVPVVFYTCBT-RTBURBONSA-N 477.606 2.833 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690724378 NPYULLZGEZGXJC-KRWDZBQOSA-N 469.652 2.961 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1690727229 XOFYVMFSWHNWLW-GOSISDBHSA-N 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C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722609686 DBDUQONEDIHHIO-UHFFFAOYSA-N 476.379 2.533 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722693528 QYXMICDIEYILDE-UHFFFAOYSA-N 455.950 2.519 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCn2cc(CO)nn2)C1 1722711036 RMGJMRKNUVBPAT-LJQANCHMSA-N 488.390 2.663 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1723117259 IAWAPXBJGUPOOX-UQBPGWFLSA-N 452.603 2.913 30 10 JFEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)CCCO1 1726728317 CZTUJRDAMPOTFW-HXUWFJFHSA-N 465.602 2.523 30 10 JFEE CN(C)CCN1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1729337282 HVIBGLSCFFCSTB-VWLOTQADSA-N 498.701 2.673 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1729623570 GZZNCXAKQQFVDK-IRXDYDNUSA-N 469.590 2.890 30 10 JFEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1730581079 HZEDBZHUKXMZLE-QGZVFWFLSA-N 452.481 2.696 30 10 JFEE 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476.622 2.905 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(Cl)s2)nnc1[C@]1(OC(C)C)CCOC1 1740964997 KNXISORIDIZEPO-FQEVSTJZSA-N 453.996 2.972 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)C1 1740990519 BQUQJTWFULXVNQ-MRXNPFEDSA-N 489.589 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740992213 CORTYKPEQGEBHU-HXUWFJFHSA-N 472.590 2.955 30 10 JFEE Cc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)sc1C 1742047453 CEBWYPMOUHBMFC-HNNXBMFYSA-N 451.556 2.517 30 10 JFEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1747425107 ACVFNVMAGZJMLV-NRFANRHFSA-N 496.641 2.736 30 10 JFEE COC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1748360526 FRTKAHNUKUNOJS-QGZVFWFLSA-N 457.966 2.506 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC(F)(F)F 1748666601 DIGWBZOVEPICNV-ZDUSSCGKSA-N 462.432 2.848 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCC(=O)N1CCOCC1 1748684438 JFDFJUGYHAKJBK-HXUWFJFHSA-N 453.587 2.996 30 10 JFEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748780445 YBFCTGHXABSRTA-LPHOPBHVSA-N 492.443 2.981 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748819778 UDBQPZMXISUYPT-JOCHJYFZSA-N 481.647 2.824 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1748858633 RBZVRAQPFOJCPO-PCCBWWKXSA-N 469.586 2.641 30 10 JFEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1748898164 DGSRZLOJXYDGKG-JOCHJYFZSA-N 454.596 2.502 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccsc1Br 1748948789 WKVUNDVGGGGJCX-UHFFFAOYSA-N 475.372 2.884 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)CN2CCCC2)CC1 1748977800 DOZDHHUFCBWZNR-QGZVFWFLSA-N 460.424 2.523 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCC(F)(F)C(F)F)CC1 1748999715 CMEOIHRKQUTVKQ-IAGOWNOFSA-N 475.531 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(OC(F)F)c2)CC1 1749010697 VEZSXTWVDSOBKS-SFHVURJKSA-N 474.512 2.530 30 10 JFEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749047140 NYKDJIXBKZQMKY-HSZRJFAPSA-N 474.652 2.801 30 10 JFEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749048348 MVGZXUXFKBWDJF-SJORKVTESA-N 473.624 2.880 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1749069233 WNWUNGXFECZNJF-GLYQVZKVSA-N 461.607 2.986 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749123967 KCABQNPJJURPFT-RXVVDRJESA-N 459.616 2.753 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1749144088 RUNGRSJOALIIHP-FOIQADDNSA-N 456.012 2.852 30 10 JFEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749407176 WFWWBPCUTIMBGS-HXUWFJFHSA-N 460.590 2.873 30 10 JFEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccs1 1749457036 FAMBEZUDQNZKOF-MSOLQXFVSA-N 481.644 2.607 30 10 JFEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1749508661 WJRBMPYAXPSLBT-UHFFFAOYSA-N 481.416 2.802 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749652269 JSTSQLBSYWKZAS-LJQANCHMSA-N 475.597 2.845 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1749724415 IZAKJSUCNPONNL-JOCHJYFZSA-N 459.572 2.693 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OC(C)C)CC1 1749737053 WPVNWUPLFYXJMT-UHFFFAOYSA-N 472.615 2.511 30 10 JFEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CCCO1 1751305710 DODNACJXXKMNKP-HTAPYJJXSA-N 492.502 2.803 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2CCCC[C@H]2C)c1 1760126514 ATFSMPPQNAUVFR-HXUWFJFHSA-N 479.629 2.737 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760147999 KSVQOFJTXUOCMO-UHFFFAOYSA-N 467.570 2.833 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1760175557 MFQMLKCMIJOHCV-FQEVSTJZSA-N 492.584 2.798 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1760190963 YABIYTMESVQRKB-QFIPXVFZSA-N 479.606 2.586 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCCS(C)(=O)=O 1760213819 SHJPNDLCGWQDFE-UHFFFAOYSA-N 455.403 2.667 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1c(CC)nn(C)c1OC 1760243523 NASMSCHIDNYBNL-UHFFFAOYSA-N 479.560 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN(C(C)C)C(C)C)CC1 1760268719 WFLQROPFEOPOMQ-UHFFFAOYSA-N 451.619 2.815 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760274768 SPXPVYLRHQFUEA-QGZVFWFLSA-N 460.401 2.885 30 10 JFEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760280471 FTZSLXLDXJJKFM-KRWDZBQOSA-N 481.548 2.586 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1760282508 GTTZJCKHJIYMIK-UHFFFAOYSA-N 469.565 2.939 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1760317476 GOUDFBLDNGLPKS-GOTSBHOMSA-N 478.597 2.777 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)N(C)C)CC1 1760399036 WVOWSDIEWSXYGD-UHFFFAOYSA-N 453.996 2.901 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnccc2OC)C1 1760549713 LCTLKINWLBJORB-KRWDZBQOSA-N 454.556 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1760558235 JWXDUPXOLUKNQK-HXUWFJFHSA-N 478.590 2.992 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1766694709 DUTSWFBQBZDELA-ICSRJNTNSA-N 486.642 2.882 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@](C)(O)c2ccco2)c1 1768523017 CPEDWJYNGSFYJR-RPWUZVMVSA-N 498.609 2.826 30 10 JFEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1769490217 CDFFEPCYWHUWCD-IEBWSBKVSA-N 464.492 2.553 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(C(=O)OC)CC1 1769836923 GWQVDZOLIAYMHA-UHFFFAOYSA-N 497.600 2.992 30 10 JFEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(C)cc2)cc1 1858982969 BPTWGKPNLBZAAL-UHFFFAOYSA-N 471.579 2.805 30 10 JFEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 1860724086 PUDQQXQDZMBBKG-BJMVGYQFSA-N 478.954 2.981 30 10 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30 10 JFEE COc1ccc(OCCCc2nnc(SCCO)n2/N=C/c2ccccc2C(=O)O)cc1 1874222546 VPNCBVPSSRGYQF-HZHRSRAPSA-N 456.524 2.963 30 10 JFEE CCCNC(=O)CSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(O)cc1O 1874289436 DQNQUTUSOUNBCM-WYMPLXKRSA-N 471.539 2.777 30 10 JFEE CCOc1c(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SCC(N)=O)cccc1OC 1874350335 GYKOLHTTYGEVSE-ZMOGYAJESA-N 455.540 2.744 30 10 JFEE CC1([C@@](C#N)(Cn2cnc(I)c2I)NC2CC2)CC1 1879637935 KZLZUSPNXBCLEU-CYBMUJFWSA-N 482.107 2.907 30 10 JFEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(Oc3cnccn3)CC2)[C@H]1c1ccc(C#N)cc1 1891279297 GQGKFPVYTDERTG-DHIUTWEWSA-N 465.579 2.812 30 10 JFEE CC(C)(C)OC(=O)Nc1nc(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cs1 2124537560 ZLBDCVSJIDMIJI-UHFFFAOYSA-N 461.353 2.761 30 10 JFEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2130063636 PTFRXBTVGRAXGL-DLBZAZTESA-N 466.579 2.546 30 10 JFEE N#Cc1cnc(NC(=O)c2cc(I)cc(I)c2O)cn1 2169240367 OVLXOYWOKOXLEY-UHFFFAOYSA-N 492.014 2.515 30 10 JFEE CC1(C)OB(c2ccc(O[C@@H]3C[C@@H](C(=O)O)N(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2224132249 VXVZQWZOYOPEEN-MOPGFXCFSA-N 468.315 2.624 30 10 JFEE C=CCCC1(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2255004148 QGHAQOSYKHBOIG-IAGOWNOFSA-N 453.580 2.676 30 10 JFEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1(CNC(=O)OC(C)(C)C)CCC1 2255636722 YLVPOTDGHQRCSY-UHFFFAOYSA-N 451.398 2.962 30 10 JFEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2255748533 DXKRXMAFRDSLJY-UHFFFAOYSA-N 472.438 2.725 30 10 JFEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255796798 WTFIURJSPIDXRM-AWEZNQCLSA-N 474.454 2.628 30 10 JFEE C[C@H](C[S@@](C)(=O)=NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255814061 USGUUVIBGGSUBQ-WAJSEHEASA-N 456.370 2.730 30 10 JFEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267004121 ZSSCXRRPBJCPME-CAJLXGCNSA-N 452.332 2.952 30 10 JFEE Cc1nc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)s1 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CC(C)(C)OC(=O)NCc1cccc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)c1 2281976479 BZVQHGNGTJBRSA-UHFFFAOYSA-N 456.352 2.664 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)CC2)n1 2281992012 IJRJDODSHBUWRH-FQEVSTJZSA-N 452.408 2.987 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282021663 BPLKHAGMMWXTBH-IQMFZBJNSA-N 478.420 2.946 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2282132961 WQRFHUFTYOIKNK-QFBILLFUSA-N 460.380 2.564 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 2282185992 OHDNCVUAMCYFKL-BPQIPLTHSA-N 459.396 2.842 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282195992 UHCLSRATPVLXBG-MRXNPFEDSA-N 480.436 2.881 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)CN2S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282346120 LTEOZSGMSBNSJU-AEFFLSMTSA-N 478.420 2.616 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(CC(=O)N(C)C)Cc1ccccc1 2282493884 YILUHHDRRSOYMO-UHFFFAOYSA-N 472.416 2.573 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2282504648 RWBVTYFXRUVYSW-QMHKHESXSA-N 478.420 2.582 30 10 JFEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2282564856 AJLVOZCJNKWKGF-UHFFFAOYSA-N 462.400 2.566 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282580756 XYMMANXTGSRGAE-RDJZCZTQSA-N 460.384 2.571 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2282589886 ULYFLJLYCPDHQZ-INIZCTEOSA-N 462.400 2.722 30 10 JFEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282618222 LIIDOVDOZPTJGH-RTBURBONSA-N 452.408 2.702 30 10 JFEE Cc1cccc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282648460 OGAGSYWHUAUDJD-LSDHHAIUSA-N 454.298 2.966 30 10 JFEE C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CN1C(=O)OC(C)(C)C 2282835664 XTLCMEZJLSNOFI-CABCVRRESA-N 484.399 2.801 30 10 JFEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2282851370 AQQKUYIFRBRUCH-OYHNWAKOSA-N 498.476 2.973 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CCC[C@H]12 2283943881 FRJXSVDHGGCYGT-RCDICMHDSA-N 478.424 2.768 30 10 JFEE CO[C@H](C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2284067828 TXGCOPVYVPSRPT-SFHVURJKSA-N 480.436 2.888 30 10 JFEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284425123 SAQNKTYLPVTSEX-QRWLVFNGSA-N 457.307 2.913 30 10 JFEE CN(C(=O)[C@H]1CCOCCN1C(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2285285001 FLDDEIZZNKULIM-LJQANCHMSA-N 460.380 2.975 30 10 JFEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)cc1 2296936360 OLKGNSXLXYZELW-JOCHJYFZSA-N 454.498 2.978 30 10 JFEE COc1ccc([C@@H]2C(=C(O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 2297057279 WTFSENQKBQZMPB-HXUWFJFHSA-N 487.578 2.531 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 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C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1 1286549262 WYSIVABQAAEFPN-LMMKCTJWSA-N 469.652 2.653 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1286664191 RVBCBEOHFZPPCT-UHFFFAOYSA-N 455.584 2.956 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286687853 NKEMXSDGIWYPGV-ROUUACIJSA-N 467.636 2.982 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1286768987 MIZOLFWJSZQFBG-INIZCTEOSA-N 470.640 2.548 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl 1286781084 OELFUMFXSXGODL-UHFFFAOYSA-N 457.897 2.657 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286789844 XYMUMVIFHMQISA-KRWDZBQOSA-N 472.565 2.756 30 10 JFEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2noc(CC)n2)CC1 1294819322 FYYHEJUXYMQJPH-UHFFFAOYSA-N 462.558 2.747 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)CC1CC1 1298326828 AOSRMLZFQWSLDK-UHFFFAOYSA-N 450.568 2.597 30 10 JFEE 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30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301028866 CMNXLMKOSJRHTE-UHFFFAOYSA-N 474.949 2.626 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCN1CCN(C(C)=O)CC1 1301341120 OUDMSOIKRBWXTN-UHFFFAOYSA-N 470.581 2.568 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1)C(C)C 1301367414 NQQHCCXIQKLUOG-SFHVURJKSA-N 476.423 2.671 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301481414 LWBRVECAQNQHOX-DYESRHJHSA-N 483.548 2.654 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301489858 FIUSNDZVMSKAPZ-IAGOWNOFSA-N 463.369 2.802 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1301508003 CQLZKLRKOJNMCN-FQEVSTJZSA-N 497.397 2.907 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2ccc(OC)cc2)nnc1[C@@]1(OCC)CCOC1 1301519023 LXLYMEATLNYXRA-GBXCKJPGSA-N 455.559 2.583 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1301586504 UHVSSIOWNGVAML-UHFFFAOYSA-N 467.636 2.840 30 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473.643 2.555 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC[S@](=O)C(C)(C)C)CC1 1359046657 AQNSCADKGGWXFK-UMSFTDKQSA-N 483.682 2.966 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncccc2C)CC1 1359046791 GCKQLPFOMAEZAR-UHFFFAOYSA-N 458.566 2.617 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359060111 KLEQQOJHEFAHGL-UHFFFAOYSA-N 496.681 2.585 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1359112064 XEBFMEOFABGBDY-UHFFFAOYSA-N 456.572 2.964 30 10 JFEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1359128382 SIIGVSFXZYROMF-CYBMUJFWSA-N 452.328 2.751 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 1359130108 YLTFNDCELLMJHW-GOSISDBHSA-N 453.547 2.988 30 10 JFEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359131981 KIOCLCATVRLZII-XJKSGUPXSA-N 457.453 2.755 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1359304370 WTTYRYFCJXIWAE-QPPBQGQZSA-N 490.656 2.931 30 10 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CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@](C)(O)C1CC1 1513394890 GJVHTOUCMRENMS-VWLOTQADSA-N 483.592 2.695 30 10 JFEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)C[C@H]1C 1515822723 HRTQZGBVFGVYDJ-HZPDHXFCSA-N 452.588 2.856 30 10 JFEE CN(C)S(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1517028645 DIZWBGSTKLDSQX-HXUWFJFHSA-N 450.996 2.544 30 10 JFEE COCC[C@](C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1518972403 IECKUNVNTYJCIG-SVBPBHIXSA-N 495.672 2.560 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCOCC2)nc1 1538972681 JLWNKYFTCLGGRR-OAHLLOKOSA-N 470.375 2.774 30 10 JFEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1539142183 MHGBDMLCLYZEOF-OAQYLSRUSA-N 450.587 2.921 30 10 JFEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539171057 FRSKYNJZLVBCDL-DOTOQJQBSA-N 456.547 2.721 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1539210345 CVUYPTDLRHFBRD-SFHVURJKSA-N 455.971 2.863 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539212339 VDALTRDDGJVXHN-LJQANCHMSA-N 457.600 2.564 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1539226072 UFAHRGVYVTWNPT-YKSBVNFPSA-N 474.627 2.755 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1csc(C)n1 1539237998 PIFXCIZGCOSPKO-UHFFFAOYSA-N 467.624 2.627 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1539338270 UBMRPZJRADUETB-RTWAWAEBSA-N 470.618 2.534 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1539347479 VBKGFJAOBWNMPX-UHFFFAOYSA-N 493.406 2.799 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539392418 RBHBBVNHXLSQJQ-LJQANCHMSA-N 469.483 2.857 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C(F)(F)F)cc2)CC1 1539430141 GRMZLRWNFGVFDD-QGZVFWFLSA-N 451.493 2.824 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)SC)CC1 1539473806 BRKNKXUSLHLIOU-UHFFFAOYSA-N 469.611 2.824 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1539526164 KXGMNXORRWLLFE-UHFFFAOYSA-N 495.628 2.537 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1539530537 IDJCDHPGHHIPKC-ROUUACIJSA-N 474.631 2.528 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1539534792 ZUYHNYZOSMCQFU-JOCHJYFZSA-N 452.950 2.535 30 10 JFEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539960494 BOUSVQINXFKTPQ-UHFFFAOYSA-N 463.586 2.935 30 10 JFEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1)C1CC1 1540095532 RMGXSYIZWWZWBL-IAGOWNOFSA-N 462.595 2.709 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540134600 WCPPCIXVWGVJHE-GOSISDBHSA-N 472.590 2.897 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1540154249 STFXUDAYYPVOSE-INIZCTEOSA-N 459.348 2.874 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1540180135 HNKXRJRQDZEYRD-IBGZPJMESA-N 466.007 2.599 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1540182277 NBGYWPZTIMXPBJ-HSZRJFAPSA-N 464.614 2.894 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)CC2CN(C(=O)OCc3ccccc3)C2)nnc1C(C)(C)C 1540908981 UBEHXKXYILDSLA-UHFFFAOYSA-N 489.642 2.881 30 10 JFEE CC(=O)N1CCC(Cn2c(N(CCC#N)CC3CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1540953368 XJGGICFWZLYSKD-XMMPIXPASA-N 458.607 2.707 30 10 JFEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1545145007 APGZWYAPCWDJLZ-DFBJGRDBSA-N 452.603 2.915 30 10 JFEE C#CC[C@@]1(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)CCCN1C(=O)OC(C)(C)C 1545913203 UYVDHLBIZDKAHP-VWLOTQADSA-N 454.571 2.843 30 10 JFEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cc(C)on1)CC2 1548377718 VYAQWTBFBZNRNM-SFHVURJKSA-N 475.471 2.978 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C[C@H](C)O1 1555384999 AKWFVVMOJQWWLY-QTEQDKRBSA-N 468.602 2.558 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 1555984881 DEFGWHORLRIBIA-KXBFYZLASA-N 487.479 2.612 30 10 JFEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)c1ccc(Cl)cc1F 1565003235 REHJCZFEFZWKGC-LJQANCHMSA-N 458.987 2.847 30 10 JFEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2cc(C3CC3)nc(SC)c2C#N)C1=O 1566245251 BLMDGSJNSOAJHV-HNNXBMFYSA-N 456.549 2.936 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccc(C)cc2n1 1587579531 HSBOJPVIHIABOP-SFHVURJKSA-N 477.594 2.658 30 10 JFEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1587883510 CWTZRVHNPONTPG-UHFFFAOYSA-N 451.571 2.654 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588040180 IYHBHUKWSGBXJE-UXHICEINSA-N 491.061 2.741 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1588472043 BVNUXDNPPGKRKY-LVXARBLLSA-N 485.604 2.818 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CC1 1588473879 XSSNEPNJYDNQGD-HNNXBMFYSA-N 451.593 2.563 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(F)(F)Br 1588637658 IRCJFZYIPXKIBR-UHFFFAOYSA-N 467.274 2.668 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOC(F)(F)F)CC1 1588908355 QBJBLJQBXUDCSS-UHFFFAOYSA-N 465.476 2.846 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)CCOC)CC1 1588914105 WPRSXRPCBMMXRE-UHFFFAOYSA-N 453.587 2.982 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1589077822 BWMBHTMEIVAKQZ-JOCHJYFZSA-N 480.682 2.677 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1589142952 SKEGVWLEYPFXQP-OAQYLSRUSA-N 474.512 2.748 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589495186 PQHDZJIMLVHXEZ-DXQUJGEESA-N 488.560 2.899 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C 1589514962 KGDXUYYMHTYJRJ-XMSQKQJNSA-N 455.559 2.658 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1589548426 ZRTJQQCNRBIOLH-MDKPJZGXSA-N 450.580 2.859 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589556226 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CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@H]2C1 1663110824 BMAGXGFPLQCUHM-OKILXGFUSA-N 456.362 2.808 30 10 JFEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)Nc2ccc(Br)c(C#N)n2)s1 1672173839 DRUFOVOSOATPHA-RKDXNWHRSA-N 452.338 2.914 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCCO1 1689852872 LVZSFUZIDPWXQA-ZCNNSNEGSA-N 477.606 2.630 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2CCOC2)c1 1689868596 LSEOXTOITLBMBU-LVXARBLLSA-N 481.597 2.802 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C/C(C)=C/c1ccccc1 1689893078 SZMHLFIREVIWEF-YMQJMOIJSA-N 471.627 2.954 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1689994511 ZSQRGYIQKDXLQN-NRFANRHFSA-N 469.636 2.698 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689996656 LKNAMNVILYCRBD-NZQKXSOJSA-N 499.681 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCCC1 1690013633 XLJDEXGOOWMSFO-OAQYLSRUSA-N 471.609 2.870 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(C)CC2)nc1 1690029743 IJRRKNFCFHRHDP-UHFFFAOYSA-N 459.598 2.657 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1690134990 NQEGUQYTWMIVPN-QGZVFWFLSA-N 464.561 2.598 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690180985 OBEFTPYVFPGELM-DVECYGJZSA-N 456.612 2.823 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1690512308 UDVCJYJCIOSQFW-KRWDZBQOSA-N 453.609 2.512 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690683938 ZLPHESDHZZHRMD-NRFANRHFSA-N 455.603 2.942 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1690683950 ZXJQPOVKNWJUEI-JOCHJYFZSA-N 463.586 2.858 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)NC(C)C)C1 1690690454 YZBCDHWZJXHVIN-GOSISDBHSA-N 453.996 2.708 30 10 JFEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1692929936 HETQKAOHZHIGEO-OAQYLSRUSA-N 456.597 2.998 30 10 JFEE CC(C)N(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1693745875 IDFMILFLXAXWPB-FQEVSTJZSA-N 467.618 2.905 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCOC2CCOCC2)c1 1705507209 VBIRJRXMBLVVGE-OAQYLSRUSA-N 481.597 2.814 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705507721 CQNJARVVSQOMHA-FQEVSTJZSA-N 484.004 2.705 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705543539 KJTBTNUOQLDDHX-OAQYLSRUSA-N 464.614 2.676 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](CC)N1CCCC1 1705579952 AARMAXLBPDDYMC-HXUWFJFHSA-N 457.582 2.622 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1705593717 UTYINIJFWMKBBC-UHFFFAOYSA-N 486.576 2.705 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@@H](C)C1 1705621517 FRQHQSVVPMIQRP-LJQANCHMSA-N 452.603 2.965 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1705621977 UBHXKKKZDDPJHU-MSOLQXFVSA-N 460.538 2.944 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCCCO2)CC1 1705632357 NIRDWSFHPCCKLD-JOCHJYFZSA-N 450.587 2.862 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=C)Br)CC1 1705645481 VNYNECYOIKHIAL-UHFFFAOYSA-N 496.207 2.910 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705646408 DZNVMALBHFDRIF-XDHUDOTRSA-N 468.558 2.616 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N(CC)CC)CC1 1705649981 KKCRXIFVLXLRDO-IBGZPJMESA-N 454.594 2.704 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1705651088 IXUQKAFRFARQLV-TZIWHRDSSA-N 464.545 2.833 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1705658311 LPVYDQHZRVXZLI-UHFFFAOYSA-N 469.590 2.515 30 10 JFEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1705722991 UJVIVDQFIZUQTR-GOSISDBHSA-N 461.010 2.838 30 10 JFEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705734814 YXRHYQGFMMQWRW-UHFFFAOYSA-N 454.560 2.639 30 10 JFEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1705805533 JMAGCCYSKNPFIK-RBUKOAKNSA-N 465.595 2.794 30 10 JFEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705823820 WSTJDCSFBPSAGI-SFHVURJKSA-N 463.579 2.967 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCC1 1705885073 GZNKTOZQSOLBRC-IBGZPJMESA-N 478.638 2.710 30 10 JFEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CC1 1706004168 DMIPJIPXWURBPP-NFBKMPQASA-N 479.629 2.908 30 10 JFEE C[C@@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)c1ccccc1Cl 1706901446 CGLJETRGBIUSMP-HTAPYJJXSA-N 478.018 2.871 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722320902 OKKKUNOOFAPGGU-UHFFFAOYSA-N 472.615 2.988 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1722363440 UCEDQSSPEXLBEV-KGVIQGDOSA-N 478.018 2.968 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722363910 CMZPNWAYBRNARE-HXUWFJFHSA-N 485.997 2.623 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1722369212 VYKAUYOUHPLBJS-ROUUACIJSA-N 454.662 2.721 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722372326 UOLLHIPIOFSMSN-GOSISDBHSA-N 463.003 2.762 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1cc(Br)cn1 1722391433 MREZEUBMMMIRMT-JOCHJYFZSA-N 489.418 2.831 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOc2ncccc2Cl)CC1 1722436162 YJSWLJXQNGCASQ-UHFFFAOYSA-N 482.972 2.845 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC(F)F)CC1 1722443229 FFHXWQAQQGHQEN-UHFFFAOYSA-N 499.360 2.641 30 10 JFEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722480050 OFTWHTYOUDPCFR-INIZCTEOSA-N 494.390 2.579 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722495674 ICMYEBQDJQKUKG-AVRDEDQJSA-N 489.642 2.795 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)nnc1C(C)(C)C 1722500930 NNWNKZZOCXZCEN-OTWHNJEPSA-N 454.637 2.587 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722529269 QCFVDJRFDJEZEF-WBVHZDCISA-N 477.407 2.601 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722530242 PLQGLEZMIXABLC-SFHVURJKSA-N 457.531 2.586 30 10 JFEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722619427 BXARYFWRGXRSPY-UHFFFAOYSA-N 454.550 2.905 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722682388 GCSHUGXKLNHMGI-UHFFFAOYSA-N 451.369 2.591 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722729992 DPJLVKMDKPFUAY-SFHVURJKSA-N 463.673 2.842 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722862887 FTINCSCYIPPHCE-KBXIAJHMSA-N 450.531 2.853 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1728355331 BSHDGWHVLMQTDT-UHFFFAOYSA-N 479.629 2.502 30 10 JFEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1731047824 GOXZEXKQLLQZTL-AEFFLSMTSA-N 454.600 2.975 30 10 JFEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1731180092 HXISAXALXWIJAX-JLTOFOAXSA-N 469.489 2.813 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccccc1OC 1740546761 KVGZXCXZLLNVAH-QGZVFWFLSA-N 452.584 2.947 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740597156 QEHIWMFOUKSOKJ-OALUTQOASA-N 494.662 2.529 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740602220 RFGDCMVVHLRBED-HKUYNNGSSA-N 492.443 2.981 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740618060 BLIFLRYENWKUFZ-BEFAXECRSA-N 498.472 2.948 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740691307 YYCCEXVBPXYFKS-DFIYOIEZSA-N 488.032 2.983 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCOC(F)F)CC1 1740702872 AODPAABHCLJBLZ-UHFFFAOYSA-N 483.523 2.930 30 10 JFEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740790748 MEHBBGAKJRUOGV-UHFFFAOYSA-N 464.545 2.963 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740795436 VBQSRDXUJIVKNW-QFIPXVFZSA-N 496.660 2.786 30 10 JFEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740878033 OUYDAMXTTPMVNL-UHFFFAOYSA-N 471.005 2.760 30 10 JFEE C=CCCOCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740888585 PPNMLRUATMHTJE-KURKYZTESA-N 463.579 2.641 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCCC1=O 1740915992 AFQASRSPTLGBTF-OAQYLSRUSA-N 461.570 2.696 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740963179 BXQUFLDJNRSQNG-HSZRJFAPSA-N 493.612 2.903 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CC(OCC)C2)C1 1740973963 IAIWAMPXORJBPG-ZGGTZUKQSA-N 480.407 2.757 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740989947 CVTPBEXDRQPJGN-UHFFFAOYSA-N 493.515 2.621 30 10 JFEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)COC)CC1 1740997196 NRBNJGQVNBLKPS-UHFFFAOYSA-N 480.432 2.922 30 10 JFEE CN(CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C 1747954136 GMUFXUGGOHMNGO-FQEVSTJZSA-N 496.616 2.980 30 10 JFEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC2CC2)cc(OC)c1OC 1748521636 HXHJLFYJIGCTSZ-DEOSSOPVSA-N 468.558 2.627 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1748668102 GBWOTQQDUGNDQW-PMACEKPBSA-N 474.650 2.697 30 10 JFEE C#CCCCn1c(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1748762684 PBQRKDMWPPIAOV-NBGIEHNGSA-N 457.619 2.819 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1748784333 JYRALRLKDAKXGU-UHFFFAOYSA-N 450.453 2.520 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748808495 DIYDNSHODKNJMW-IFMALSPDSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748808838 GSQFJFKQSFFGSZ-SJORKVTESA-N 458.584 2.635 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCO[C@H]1CCCC[C@@H]1C 1748840536 DGVPMNAUGOXTMW-FPOVZHCZSA-N 468.627 2.906 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1748858878 KEHLSXSPSIOUKS-VWLOTQADSA-N 497.690 2.860 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCn1cc(Br)cn1 1748888148 ORNWEFBTQUAQHX-UHFFFAOYSA-N 484.358 2.518 30 10 JFEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1748920212 FBGZTMOLWBYIOP-UHFFFAOYSA-N 495.634 2.939 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@@H](C)C1 1748936341 WMXJHGTYEADOKS-GOTSBHOMSA-N 450.631 2.917 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCCCO)CC1 1748978876 REQRALOFRRZOCU-UHFFFAOYSA-N 460.003 2.967 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccnc(SC)c2)CC1 1748979234 WIPHFLZBMYKPSC-UHFFFAOYSA-N 494.621 2.891 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(C(N)=O)CCCC2)CC1 1749004443 JAWDCOQBTXQDIU-JOCHJYFZSA-N 476.625 2.832 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1749008544 BYMPLTIEJXUZDO-FQEVSTJZSA-N 486.624 2.830 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ncccc1F 1749059182 YBJWZQYKFQVWFC-HSZRJFAPSA-N 469.542 2.954 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749210614 KCTBEMNMUMWIIZ-UHFFFAOYSA-N 479.560 2.979 30 10 JFEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCOCC2(C)C)CC1 1749303842 QKISJQVWBMQEOE-HXUWFJFHSA-N 490.649 2.854 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1749650343 SYXQSOKRPLMWRQ-IBGZPJMESA-N 492.983 2.869 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749736776 OWWSOUXCXZSQJW-RTWAWAEBSA-N 459.616 2.508 30 10 JFEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1749756022 QOYITMVCCFJNSR-IBGZPJMESA-N 477.656 2.521 30 10 JFEE COCCN1C[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1749861767 FWDNTYILVNPUJK-UUOWRZLLSA-N 452.559 2.579 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCn2cc(Cl)cn2)c1 1760125731 KZMWSRDWZWTPFO-UHFFFAOYSA-N 460.929 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C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1286273723 GICPLNWNNMWBLX-IBVKSMDESA-N 451.615 2.876 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@H]2C(C)C)c1 1286312340 UMSAUYGNCACYPZ-RLWLMLJZSA-N 492.624 2.908 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1286386491 BAFDSIAFQFMQQT-MRXNPFEDSA-N 459.572 2.833 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1286395121 LGQOBUNEEOQXPF-IBGZPJMESA-N 479.562 2.614 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(OC)ccc2OC)CC1 1286474888 SYQYOGDVZKXNPZ-UHFFFAOYSA-N 452.946 2.814 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1286508274 HPWUXKQPUPLTEM-LSDHHAIUSA-N 466.579 2.949 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 1286637293 ASYXRLFNDKAEIT-QGZVFWFLSA-N 484.582 2.938 30 10 JFEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286650642 HDUGHVSCOZNIGP-LJQANCHMSA-N 475.615 2.694 30 10 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C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740623780 ARVSCCZQAXXAPG-OAQYLSRUSA-N 486.638 2.917 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740628594 RSGOKUJCZDSQTN-RBBKRZOGSA-N 472.611 2.526 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1740630877 FVQBTAUGQRNOED-UXHICEINSA-N 459.591 2.722 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1740640348 LGAGWSSALNSVKI-JTAQYXEDSA-N 463.582 2.751 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)cc2F)CC1 1740698928 QHLAFMSAKAIRDF-UHFFFAOYSA-N 452.559 2.521 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740717736 ZQXGARHJKCDGCC-DLBZAZTESA-N 479.697 2.950 30 10 JFEE C#CCSCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740723013 MPVDCKRHDLBPQM-KDURUIRLSA-N 498.657 2.532 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1740734535 HTWPZGBIWXBDNO-FGZHOGPDSA-N 474.403 2.678 30 10 JFEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CCCCO)C1CC1 1740740156 MYYIIQUWRHGBNW-UHFFFAOYSA-N 459.352 2.571 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740804753 CWACFCMYRIYTCE-IPMKNSEASA-N 466.007 2.667 30 10 JFEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740815741 IRTUOJWMTQSYOF-UHFFFAOYSA-N 475.018 2.559 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740851232 RHQRJQAEFYZECH-ZNMIVQPWSA-N 450.527 2.939 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740895096 RCAIJUUJQOPHKK-ROUUACIJSA-N 469.565 2.931 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1740960341 PQVLIJBOQVGBJP-HXUWFJFHSA-N 490.649 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740988973 VNACBPUGNUBNLX-SFHVURJKSA-N 479.050 2.907 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1740994348 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CGAGICGGVNUGHE-UHFFFAOYSA-N 457.600 2.832 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749048699 AEHRWLADEJEPEO-RCCFBDPRSA-N 454.662 2.577 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1749051490 IOTIZYFHXUYLET-HHHXNRCGSA-N 491.640 2.537 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1749213924 RWTRRMVHMBYJHF-ZQIUZPCESA-N 466.435 2.501 30 10 JFEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1)c1ccccc1 1749244183 GRNPNQGCTAAHDO-HXUWFJFHSA-N 471.627 2.779 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749714106 FQIOSJNCASREGM-GOSISDBHSA-N 465.645 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2ccsc2)nnc1[C@]1(OCC)CCOC1 1749740811 YZBYWAUTEFZSEI-RXVVDRJESA-N 466.629 2.934 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCC(C)CC2)c1 1760128330 FQLSXLRHTUWRPJ-JOCHJYFZSA-N 464.614 2.960 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760192200 SBGANAZFPDVCTP-UXHICEINSA-N 478.565 2.504 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CSCCS1 1760219067 TZVBNJMSVXCGGP-FQEVSTJZSA-N 467.668 2.764 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)C(C)(C)C 1760221890 OLZKZADDSRYDOQ-UHFFFAOYSA-N 451.596 2.957 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(c2ccncc2)CC1 1760222508 MZOXZXHHQVYIOQ-UPVQGACJSA-N 462.598 2.777 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCSCC1 1760245234 WPWXZDPXZLVNNB-UHFFFAOYSA-N 482.423 2.982 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1760280093 CRVUBADRLLLITN-OAQYLSRUSA-N 467.620 2.712 30 10 JFEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760345050 CNEJTAIXQBNGGO-OAHLLOKOSA-N 489.502 2.756 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OCC)C1 1760355708 SWMBDJMARPDPQK-GOSISDBHSA-N 462.620 2.836 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNS(C)(=O)=O)CC1 1760399015 WBDZSHXPJJWNLV-UHFFFAOYSA-N 454.394 2.659 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760414127 GDYKBMWYBARNTI-KRWDZBQOSA-N 457.604 2.709 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760416125 VGUFAFWGBYBHNA-QHCPKHFHSA-N 483.679 2.781 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)c2ccccc2)CC1 1760526231 IJRFCPPUGDVFML-UHFFFAOYSA-N 493.637 2.677 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 1760530760 XPPPQWWTQWQSOG-UHFFFAOYSA-N 478.601 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1760550822 KGUWHQQMDAKYSC-INIZCTEOSA-N 464.588 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1760552620 VDQUTSOADZNBTD-GOSISDBHSA-N 490.630 2.682 30 10 JFEE C/C(=C\c1ccccc1)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1760571976 RYXIZZDGGISEKU-MOKGIYGOSA-N 454.556 2.941 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1760777997 FEYYTGNDYOJEKO-RBUKOAKNSA-N 465.558 2.528 30 10 JFEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1)OC 1765582360 FTNWWRASOCEGIY-QFIPXVFZSA-N 489.580 2.901 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](CC)OC)C1 1765743528 FBNIWFNKVBVXHM-OALUTQOASA-N 456.547 2.869 30 10 JFEE CCOCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCN1CCN(C)C(C)(C)C1 1767789815 FHXBDMAOGIXMAY-UHFFFAOYSA-N 451.619 2.881 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)OCCOC)cc21 1858707055 IYLRMNCRYQQAIJ-OAHLLOKOSA-N 455.467 2.838 30 10 JFEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccc(C)cc2)cc1 1859010562 SDJWFKUQVMERAN-UHFFFAOYSA-N 458.536 2.918 30 10 JFEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@@H]2c2cccc(O)c2)c1 1862698764 NKLXZIJNVRTXSY-JOCHJYFZSA-N 450.491 2.992 30 10 JFEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863728845 OCUNDWLWRFHUOT-UHFFFAOYSA-N 480.373 2.739 30 10 JFEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCOC)=C(N)Oc2c1c(CC)nn2-c1ccccn1 1864327828 ZRRHDHABNBTAHK-NRFANRHFSA-N 475.549 2.852 30 10 JFEE CCCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868796255 SJBSIVVTKRKQBV-NHCUHLMSSA-N 460.644 2.931 30 10 JFEE C=CCN(CC=C)c1cc(N(C(C)=O)c2ccccc2N2CCNCC2)nc(CCOC)n1 1869115222 HOGNLMWQOMLBOZ-UHFFFAOYSA-N 450.587 2.938 30 10 JFEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cccc(C)c3C)CC2=O)cc1OC 1870149717 OAGRNZALSZSDCB-LJQANCHMSA-N 488.548 2.803 30 10 JFEE CC[C@@H](C)[C@@H](C(=O)Nc1c(C#N)nnn1-c1cccc(NC(C)=O)c1)N1C(=O)c2ccccc2C1=O 1870156926 IHGPCUNAYBWUKS-SZNDQCEHSA-N 485.504 2.747 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cn1C[C@@H](C)O 1870390320 CXUOEOYQEAWZBN-HXUWFJFHSA-N 497.592 2.986 30 10 JFEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870519908 MGUZKKNJIVVVRQ-NHCUHLMSSA-N 465.635 2.959 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc([N+](=O)[O-])cc2)cn1CCN1CCOCC1 1870685218 ZIWPPOANUMGGEY-UHFFFAOYSA-N 468.554 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452.754 2.965 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1NC(=O)OC(C)(C)C 1538974309 SIWOYZMYFGPUIY-HZPDHXFCSA-N 476.603 2.742 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539211409 INLPKYKMYCJOOV-IIBYNOLFSA-N 468.982 2.771 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539224615 INRVUQGKHLJJIH-HXUWFJFHSA-N 470.620 2.922 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539224862 JDUHPFXUVAXTJU-HXUWFJFHSA-N 470.620 2.808 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC[C@@H](C(F)F)N1CCOCC1 1539273548 WWWZRNHBHIZOBL-QFIPXVFZSA-N 466.536 2.710 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1nc(C)cc1C 1539285047 ZVJBAIUHWJKTLZ-UHFFFAOYSA-N 455.566 2.828 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1539382996 WRUXWHMQVRZXJS-UHFFFAOYSA-N 462.554 2.605 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN(C(C)C)C1 1539415357 CSAQYZKYUHRUJO-NZQKXSOJSA-N 453.587 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30 10 JFEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1540858301 QAEHSBFXDNZGNI-RDTXWAMCSA-N 496.431 2.683 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1540864831 MAOYKDVREXWHIL-QRVBRYPASA-N 486.686 2.979 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540865808 SPWXXOZQJPPARX-HOTGVXAUSA-N 461.408 2.929 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(NC(C)C)CC1 1540906842 DIFTWOYHBFFEOL-UHFFFAOYSA-N 470.643 2.849 30 10 JFEE C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1540925521 VUQTUXDDXLDRSN-HXSOWKKUSA-N 462.554 2.848 30 10 JFEE CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C 1554276971 CZRGDKKMRAQYAD-LJQANCHMSA-N 467.574 2.994 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)cc1OC 1554868874 GWHHVZAJHCBXKS-SFHVURJKSA-N 484.557 2.558 30 10 JFEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H](CN(C)S(C)(=O)=O)C3)c2C#N)C1 1559828117 FXCLEYLCHKDMIW-HZPDHXFCSA-N 452.646 2.677 30 10 JFEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C1 1568062376 COKUYGHPFVEQSY-UHFFFAOYSA-N 450.543 2.849 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1588041229 VXHPQCHLGZGHHL-GOSISDBHSA-N 489.960 2.816 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1588065100 UKGZFWZEXRGTGJ-QGZVFWFLSA-N 451.593 2.543 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCOC[C@@H]1OC 1588094215 UZFJKPBODUOCRE-KXBFYZLASA-N 461.335 2.971 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(F)(F)C1(OC)CCOCC1 1588099144 HXSJWUMUWUXONU-UHFFFAOYSA-N 459.453 2.757 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1588140586 YZOVHOQANATSOL-SZPZYZBQSA-N 498.672 2.965 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc([C@@H](C)O)cc1 1588310066 OCZZIFZWFMGMQW-QGZVFWFLSA-N 452.584 2.799 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)n1 1588723739 PCJQMUDAELXWJJ-NRFANRHFSA-N 469.634 2.608 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OCC(F)(F)F)CC1 1588865285 RNHPFWZQMYSKTP-UHFFFAOYSA-N 487.530 2.884 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1588954272 CNGUTUAZHCDWIT-UHFFFAOYSA-N 490.633 2.646 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccc(C)cc2)CC1 1588954321 FLESPYDBMLQTER-UHFFFAOYSA-N 458.566 2.617 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC(F)(F)C2)CC1 1588961957 QFVLDLFDEBYIKF-GOSISDBHSA-N 459.545 2.541 30 10 JFEE C#CCSCCn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1[C@@]1(OCC)CCOC1 1589125927 RXLHWDXCZFLFEQ-WZONZLPQSA-N 475.590 2.879 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N(C)C)CCSC1 1589242833 LNBBJTZNCKTLSX-FGZHOGPDSA-N 458.657 2.699 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1589528026 CJICGVSGMKMIIJ-ZYKOEDHHSA-N 481.645 2.666 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1589567866 GKRROQXWXXEVOR-ICSRJNTNSA-N 452.621 2.734 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1589658080 RRTJRZNXUJRVMA-TZIWHRDSSA-N 461.632 2.894 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1593605562 YTRQPGXMJDJVAL-XXBNENTESA-N 452.603 2.909 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1593718389 WSGCMJPFVMRTNI-UHFFFAOYSA-N 459.982 2.924 30 10 JFEE C=CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1594980807 OUHOQMKFVUDUOU-SLFFLAALSA-N 454.575 2.911 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(Cn2ccnn2)CC1 1595501279 OAKBMPNBHHWGGI-UHFFFAOYSA-N 499.417 2.826 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1595577138 JVIYNIJNGDZTTM-WMZOPIPTSA-N 467.492 2.932 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCN(C)CC(F)(F)F)C1 1595722600 LNRWORYWZKGEAJ-IBGZPJMESA-N 494.566 2.728 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595773097 QGQYRDFYRVKLGK-FQEVSTJZSA-N 494.683 2.857 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 1595831053 JQFVWTWCUODHEI-QKNQBKEWSA-N 490.674 2.915 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1C(C)(C)C 1611623189 HOSKLUKIIHCGKJ-DENIHFKCSA-N 452.603 2.993 30 10 JFEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN(C)CC(F)(F)F)CCOC1 1616223455 FSCWLGLBCLBDNU-WOJBJXKFSA-N 458.529 2.944 30 10 JFEE COc1ccc(OC(F)F)c(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1619304355 CRTJNWPFHVPKJK-NRFANRHFSA-N 464.448 2.614 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCC(=O)N2CCCCCC2)cc1 1620351525 ALEMSSBKOHEGBF-UHFFFAOYSA-N 452.559 2.748 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 1634337486 MRYKRAAZMHHYOX-IRXDYDNUSA-N 457.980 2.633 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCc2c(cccc2NS(C)(=O)=O)C1 1644391664 GBIKKGREMCBRCK-KRWDZBQOSA-N 456.568 2.760 30 10 JFEE C#CCN1CCN(C(=O)CN[C@@H](c2ccccc2)c2ccc(OC)c(Br)c2)CC1 1644928229 RDGAAYXWXPANQJ-QHCPKHFHSA-N 456.384 2.914 30 10 JFEE Cc1ccc([C@@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)N2CCOCC2)o1 1666148435 DBKTWEVWQOOWTA-XVAXZDLZSA-N 453.543 2.917 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1 1667322676 VFHLCWOZBLMBLT-OAQYLSRUSA-N 456.568 2.724 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 1690077010 GQSSTYRAIWIZDX-UHFFFAOYSA-N 486.624 2.856 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2cc(C)ccc2OC)CC1 1690141698 ACDKCZWSAIIARM-UHFFFAOYSA-N 458.566 2.866 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 1690235187 YZXIIFVYNGTECW-CQSZACIVSA-N 454.398 2.915 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1690280101 XKGJCIHNRQGGTK-MSOLQXFVSA-N 457.575 2.906 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690422444 OUMRWUXYTJFYSH-UHFFFAOYSA-N 495.584 2.727 30 10 JFEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690636053 CVLZMNWLTRWCGP-HXUWFJFHSA-N 468.602 2.671 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C#N)CC1 1690677866 CSDLDUVGJRITCU-KRWDZBQOSA-N 457.579 2.782 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1690691988 OVLBQBDDOYWPOX-FGZHOGPDSA-N 452.603 2.669 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCN(C)C(C)(C)C2)C1 1690707349 TYKMOISUCFXPIT-QFIPXVFZSA-N 468.646 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS[C@@H](C)[C@@H]1C 1690720633 OPMOYYVHSNVZMI-GJZGRUSLSA-N 450.586 2.605 30 10 JFEE CC(C)N1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)C2)CC1 1693828079 DMQDZJCKTPRYRM-IBGZPJMESA-N 470.643 2.906 30 10 JFEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1695290584 FTRFJWMIIRAPMB-UNMCSNQZSA-N 451.619 2.706 30 10 JFEE CO[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1697124089 HUVQKAWZUWOMSO-IBGZPJMESA-N 493.637 2.888 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCc2noc(CC)n2)c1 1705506875 LGZVHHBRIXMSLT-LJQANCHMSA-N 463.542 2.764 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705527972 QPPGNZBXRHWFEY-QGZVFWFLSA-N 471.005 2.810 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)COC)CC1 1705543436 GGKMHFHKSHDWAV-UHFFFAOYSA-N 466.369 2.872 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705562445 CGZBNGAKXQPCHL-IBGZPJMESA-N 454.552 2.861 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCc2nccn2C1 1705622283 CYOHGWWWALEGMJ-HNNXBMFYSA-N 458.364 2.581 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)Oc1ccc(F)cc1 1705626601 CDYHFFWIDSUCQA-MRXNPFEDSA-N 455.490 2.698 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCN(C)CCCOC)CC1 1705636150 ZRCKQADRXFTIPE-HXUWFJFHSA-N 470.687 2.855 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1705669234 GWYGOZUZVPLAMI-LSGABVIPSA-N 498.385 2.565 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC(=O)N1CCOCC1 1705708907 IMNCSMKHMLLCLG-SQJMNOBHSA-N 483.613 2.696 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705710695 ZIARQAGMUYALJX-HSJYVMOXSA-N 470.570 2.507 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1705725829 UHGKXKXZOOPWNH-RTBURBONSA-N 462.595 2.515 30 10 JFEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705726597 UUVYNGKZYGEBCJ-HSZRJFAPSA-N 468.646 2.685 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1705761588 TVXARTGGIUNXOS-UHFFFAOYSA-N 453.547 2.949 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705805372 FWGKHCJKGKKFBG-MSOLQXFVSA-N 467.636 2.982 30 10 JFEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1705827264 ZJNFXERTHALDLF-UHFFFAOYSA-N 454.575 2.931 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705930638 RVTKVFAJBZNWPH-LEEZEASISA-N 474.627 2.805 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)C1 1705966399 GVMPNTFSEBURGI-STZQEDGTSA-N 466.586 2.706 30 10 JFEE CCN1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1710292983 DBTJZNMUZHAINA-SQJMNOBHSA-N 450.635 2.668 30 10 JFEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)(C)C)CC1 1710972232 GAVZHPKEJJRKGX-HSZRJFAPSA-N 492.672 2.680 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCN(CC(F)(F)F)CC2)cc1 1712879567 FRHLCRMOBJLUFZ-IBGZPJMESA-N 459.476 2.820 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722325978 CZSFNXAVVZBNCI-UHFFFAOYSA-N 471.005 2.765 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722329062 CMSWLOWNEIKJQL-VXKWHMMOSA-N 478.641 2.994 30 10 JFEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722337491 BQMHANCGSAFDSW-FQEVSTJZSA-N 457.600 2.583 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722370196 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MFRHITWXMWWMFU-UHFFFAOYSA-N 495.671 2.565 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722608986 PHHLSHNGOBHRCB-GOSISDBHSA-N 466.007 2.841 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 1722704259 FFFSCYBICBLQED-LEWJYISDSA-N 489.642 2.503 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722742890 KGMWSVOCUYLMBA-SIKLNZKXSA-N 468.627 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722751752 UACUJIVWQDSNNT-UHFFFAOYSA-N 487.557 2.549 30 10 JFEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1723478563 CZHZINHBMVYISP-UHFFFAOYSA-N 495.628 2.578 30 10 JFEE CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1728601772 CPBMPEHSFKDAJZ-PUHATCMVSA-N 481.645 2.790 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1740590642 IWEOPOCVXUOABV-FGZHOGPDSA-N 487.626 2.765 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCc1ccc(OC)cc1 1740601507 CVKFPRRHHXHPLY-UHFFFAOYSA-N 482.610 2.841 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1740619390 IJIMJCGZLTXTLL-HNNXBMFYSA-N 468.526 2.634 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1740621769 OZNJZKNZMZMULI-RTWAWAEBSA-N 472.659 2.565 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CC(F)(F)F 1740663208 CNIUGFRBZHCSSF-UHFFFAOYSA-N 471.553 2.500 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2cc(F)ccc2F)n1 1740689253 SQIBSCJTCDRTSU-UHFFFAOYSA-N 464.480 2.544 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1740718934 XHJRUZTZPGSFGV-GOSISDBHSA-N 492.093 2.810 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1740731977 NNLMQTIDDKFVCA-NTKDMRAZSA-N 469.590 2.843 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1740751534 LJLVPGRHXSZBKN-AZUAARDMSA-N 487.004 2.544 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740764082 UJSAJOSMUFAEQI-OFNKIYASSA-N 489.642 2.537 30 10 JFEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2[C@@H]1CC 1740793395 SXBPGHQBQLPMMZ-RBUKOAKNSA-N 495.671 2.779 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740794145 QPHFHQTVZJCRIO-OAQYLSRUSA-N 484.620 2.734 30 10 JFEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740819601 WCTOEEDXFSLRNX-INIZCTEOSA-N 477.338 2.991 30 10 JFEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOCCOC)CC1 1740837705 RIOQYYPVWOGBES-UHFFFAOYSA-N 452.559 2.648 30 10 JFEE C=CCCCn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1740881263 CCOAIOSOKYIORE-DEOSSOPVSA-N 489.642 2.716 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740953457 GUMZZERGAJOQMF-MJGOQNOKSA-N 457.600 2.667 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cccs2)CC1 1740961298 SNJJBXUGWZDJNE-UHFFFAOYSA-N 458.538 2.837 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)N(C)C 1743944710 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C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C1 1749693571 KRQJFQYNPPVAMY-SFHVURJKSA-N 462.595 2.552 30 10 JFEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749754043 FGUBTWFAQXAWBR-UHFFFAOYSA-N 459.620 2.912 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](c1cccs1)N(C)C 1750966011 GHAHCZVYDJBRCZ-NRFANRHFSA-N 492.653 2.979 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1751271991 HQJOKVNVODNDQU-FUHWJXTLSA-N 451.506 2.795 30 10 JFEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760146172 FASOADZXKHSOGU-JOCHJYFZSA-N 450.587 2.808 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760186787 GJXYLWHXWFHXDM-YPAWHYETSA-N 478.659 2.784 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1760191131 BBYFWNVPYLNZTL-SFHVURJKSA-N 489.667 2.867 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1760191438 HINQBJPJSYMBQM-WMZHIEFXSA-N 474.652 2.812 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)cc1C 1760247616 IKVZFTDSBSMHAH-UHFFFAOYSA-N 495.653 2.747 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1760263950 VWOWEJWZYCDSQS-UHFFFAOYSA-N 462.623 2.689 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS(=O)(=O)CC1 1760351849 LFTWFALKELQYRY-MRXNPFEDSA-N 454.980 2.899 30 10 JFEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1)c1ccccc1 1760362520 NDOBLKFJGXJCGK-UYAOXDASSA-N 459.616 2.733 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](C)c2ccccc2)CC1 1760389425 KHDCARKCKNKPKI-CTNGQTDRSA-N 459.616 2.961 30 10 JFEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1760406907 PGPWDXQUKXADGU-HSZRJFAPSA-N 473.647 2.851 30 10 JFEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760442274 LDYCRKIESKMMGK-SFHVURJKSA-N 455.588 2.646 30 10 JFEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C1CCC(C)CC1 1760527299 RPPGGUYCBUDNDC-UHFFFAOYSA-N 479.673 2.960 30 10 JFEE 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2.738 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1588049137 ARCNKWVMGSXYJK-LJQANCHMSA-N 471.970 2.699 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1588185493 HKJOYHQNXGTKQP-WNCULLNHSA-N 478.593 2.918 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1nnc2n1CCCCC2 1588193845 MNQOVSZEXZBZMC-UHFFFAOYSA-N 473.581 2.986 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1588481772 LBBKMRAMXRKQBY-LJQANCHMSA-N 470.549 2.875 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCc2ccc(OC)c(OC)c2)CC1 1588913314 HCNOSNBYWPVFQA-UHFFFAOYSA-N 490.608 2.899 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1589060792 YVHNKTXJBRQCMQ-QZTJIDSGSA-N 463.966 2.966 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1589216554 RLAMXMBISDIGOQ-DENIHFKCSA-N 478.018 2.613 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCNS(C)(=O)=O 1589496322 XWNIYHOIYJWYJU-AEFFLSMTSA-N 453.996 2.565 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1589544607 IZUWFWHAKVDOFE-VSKRKVRLSA-N 479.691 2.718 30 10 JFEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1593625350 RHTYRPNVALEBOU-UHFFFAOYSA-N 499.641 2.501 30 10 JFEE C=C(Cl)Cn1c(N(C)CCS(=O)(=O)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593932483 IQXRKTNJTHOJCU-GASCZTMLSA-N 462.016 2.672 30 10 JFEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1594866579 FIBBWDFNCAODGZ-IBGZPJMESA-N 452.989 2.985 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1595218390 JBSKJZQXJOEJMD-JPYJTQIMSA-N 463.579 2.570 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1595323994 KQTKAYBHOVXMAC-GOSISDBHSA-N 498.447 2.770 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(Cc2ccsc2)CC1 1595496629 BOYIGZWVOFLUNV-UHFFFAOYSA-N 482.610 2.648 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1595577662 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RSJRAPDVPWYKCL-LJQANCHMSA-N 458.588 2.636 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1([S@](C)=O)CC1 1689863710 ZOQUMNTWLAXNIQ-PWFNWSNSSA-N 451.390 2.989 30 10 JFEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc([C@H](C)O)cc1 1689966680 YQAXAEKUICVWNS-FXAWDEMLSA-N 455.559 2.758 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689988511 QSPDXIHJZXEREZ-NRFANRHFSA-N 472.659 2.784 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689994003 OZIUAKDXBNKGBD-RBBKRZOGSA-N 479.606 2.667 30 10 JFEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1690054646 CURAEBHUGNXUIB-UHFFFAOYSA-N 467.986 2.898 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1690205933 CEFONIJDJMTVAC-QMHWCDLVSA-N 459.591 2.614 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690253014 LVGDUMVPMAWXFF-CVDCTZTESA-N 456.591 2.916 30 10 JFEE C=C(Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690326078 RGSNEGFABDBFHU-QPPBQGQZSA-N 489.642 2.550 30 10 JFEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(S(=O)(=O)CC)CC1 1690337034 AFTWCMDDGRCNQF-UHFFFAOYSA-N 452.964 2.872 30 10 JFEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690350348 HAQXSIZWVGMBMQ-UHFFFAOYSA-N 485.032 2.756 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(NC(N)=O)cc2)CC1 1690380103 BVGKJCOJSUZRQQ-UHFFFAOYSA-N 451.556 2.965 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(OC)CCOC2)CC1 1690411469 MUZJPICTBJZRDR-YADARESESA-N 477.606 2.794 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690485253 OFRFNXKKAYOBDC-QZTJIDSGSA-N 467.636 2.840 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1690569948 QKCQOCOZVLXPRE-IBGZPJMESA-N 458.563 2.978 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1690643538 GKTXWVZBJZEPCG-GOSISDBHSA-N 456.595 2.639 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)OC1CCCC1 1690717901 UTDPEGNBAXAPTF-UHFFFAOYSA-N 472.409 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(C)C)C1 1690724204 KBHMNDUHHRTNJF-NRFANRHFSA-N 487.674 2.925 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690737668 SOXYEOHWCQRQPG-UHFFFAOYSA-N 456.037 2.989 30 10 JFEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC(C)C)CC1 1693381863 FRMMTAOPTCHZMG-UHFFFAOYSA-N 462.602 2.959 30 10 JFEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1694257613 DHWJSHIBOUENIG-XPWALMASSA-N 452.603 2.906 30 10 JFEE CCc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(=O)N(C)C)cc1 1694514895 FYNDPAUMUMIIOJ-UHFFFAOYSA-N 458.570 2.579 30 10 JFEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1695074626 GHSUJCGRFIVENO-KRWDZBQOSA-N 462.645 2.820 30 10 JFEE COc1ccc(C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1697324183 ASDLWSRETQTKRE-FQEVSTJZSA-N 479.585 2.864 30 10 JFEE 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JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc3c2OCCCO3)CC1 1705650685 XHVSCWYQROCLKS-UHFFFAOYSA-N 451.571 2.652 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705651823 ILRLZQYVBHHIGR-ROUUACIJSA-N 476.647 2.618 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1nncn1C 1705656529 AGHLFCCWWSVQFC-SFHVURJKSA-N 453.572 2.799 30 10 JFEE C#CCSCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705664828 CDBIJIPTEHWHIW-OTWHNJEPSA-N 486.646 2.848 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1705675110 XYVIMNXXOHOXOH-FQRUVTKNSA-N 494.596 2.726 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705677309 KABXKFDTLVCDAT-KHCICDEESA-N 470.643 2.761 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705695310 IAIFDBVAAILHMW-ZLNRFVROSA-N 499.637 2.828 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1705858363 VBJSGTBKSYTRLZ-LEWJYISDSA-N 473.537 2.530 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCCCC2=O)CC1 1705897611 PSODHYQEROEMCT-SFHVURJKSA-N 484.576 2.841 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1705905120 KFXUGKLBCDQWOA-UHFFFAOYSA-N 477.525 2.522 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1705907327 IOUMKJLOBCDYGI-KRWDZBQOSA-N 456.620 2.967 30 10 JFEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(Br)cn2)C1 1706019623 ABAPCNAURVIYOA-FQEVSTJZSA-N 497.401 2.971 30 10 JFEE CCCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C#N)C1 1709837907 GVADMGARGYHXTG-AEFFLSMTSA-N 460.966 2.943 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(Cl)cc1 1710734436 CMZZRAQAFIUIAA-INIZCTEOSA-N 452.950 2.893 30 10 JFEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCSCC2)CCCC1 1711300286 CCWYVIOXXQXNCY-IBGZPJMESA-N 481.670 2.997 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN(C)C2CCCCC2)c1 1722306770 DQIDVRVPPNRTNT-UHFFFAOYSA-N 491.640 2.721 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCO[C@H]2CCOC2)c1 1722310712 ZRMZVFQQIVAKRC-QFIPXVFZSA-N 474.565 2.900 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1722346539 SGLUUDIEXYBWTN-FQEVSTJZSA-N 485.635 2.553 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722362104 SCSULHBQUZWTGC-YLJYHZDGSA-N 453.543 2.910 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1722366028 HAVLRVMFAHKTGI-QGZVFWFLSA-N 465.417 2.914 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1722366134 PXNSRDJZKFGMDO-FQEVSTJZSA-N 499.662 2.820 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722385248 BFMQQBKKSVMOBC-LADGPHEKSA-N 495.649 2.751 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722388094 UPZFLIHSHSULRL-XMMPIXPASA-N 497.603 2.770 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 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C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722582423 IXCFHZPLXPYRDU-SFHVURJKSA-N 489.646 2.636 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1 1722628927 CTECJKVATBDWIP-SFHVURJKSA-N 462.551 2.804 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN2CCN(C(C)=O)CC2)C1 1722712071 ZJSNSQQNGUNOGV-BJKOFHAPSA-N 466.630 2.765 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(CC)C2CC2)C1 1722718303 IXXXCFAYYPRNDJ-LEWJYISDSA-N 490.649 2.852 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1722721328 JCEZFEQIEGNEDF-PMACEKPBSA-N 480.535 2.698 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1Cc1cccs1 1722724932 JGAXKLUEGIWGKW-KRWDZBQOSA-N 486.623 2.799 30 10 JFEE CC(C)(C)NC(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCC#N)CC1CC1 1722970981 DDKJGPXZBNWMBD-UHFFFAOYSA-N 486.646 2.673 30 10 JFEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1723357738 ABQMDANCQSINCO-JXALWOEJSA-N 452.559 2.939 30 10 JFEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1730193084 HCDCQQCCNYFUCK-HSZRJFAPSA-N 468.602 2.962 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 1730590543 FQJIHSHXANQZPW-MXBUBSDBSA-N 482.629 2.945 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)c1 1740562546 ONTGJOGNJRHPML-LJQANCHMSA-N 457.600 2.599 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1740621435 XLXMCNIOEFCJLP-GOEBONIOSA-N 477.015 2.880 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1740625183 DPGZALPPFRUIFS-RBBKRZOGSA-N 472.611 2.788 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1cccs1 1740639707 DZDYBIMZXFZSJU-UUOWRZLLSA-N 485.610 2.629 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1740656181 HUVXKEHXRORIEI-KRWDZBQOSA-N 489.527 2.689 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1C 1740677620 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496.612 2.856 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740759888 FLWLJCIEQZPGNV-ZDXQCDESSA-N 488.677 2.881 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740817815 VBUWTCGHQKAANN-LPHOPBHVSA-N 462.938 2.989 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740947133 RJVQSZGCDLHLGJ-WOJBJXKFSA-N 460.623 2.880 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1C(F)(F)F 1741924695 CUZDPZSMVJABGE-FZKQIMNGSA-N 474.484 2.592 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1748808792 NNPKACIPYDHUJS-HXUWFJFHSA-N 485.635 2.785 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748809430 MXMSEBPJMWOOCM-SQNIBIBYSA-N 463.003 2.898 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748814582 GULFJADSWFQNOH-LJQANCHMSA-N 479.647 2.819 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 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C[C@@H](NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)c1cscc1B1OC(C)(C)C(C)(C)O1 2284050903 FLGWMBROKWDLKV-OAHLLOKOSA-N 480.436 2.987 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)c1ccccc1 2284059196 SCBDKKSJXKTMHH-OAHLLOKOSA-N 474.392 2.506 30 10 JFEE C[C@H](NC(=O)[C@@H]1[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]12)c1cscc1B1OC(C)(C)C(C)(C)O1 2284069298 OVEAIHCOBQWBEQ-VIBAHUMZSA-N 478.420 2.859 30 10 JFEE Cc1ccnc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288262323 ZBHXFWRMJSFMOO-VOIUYBSRSA-N 457.380 2.676 30 10 JFEE Cc1nc(I)c(I)n1-c1nc2c(cc1C#N)COCC2 2294830298 GHOOBLVGIXSYEU-UHFFFAOYSA-N 492.058 2.729 30 10 JFEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c(C)n1 2296618945 WPVKCRKXTZYLDC-FQEVSTJZSA-N 456.930 2.501 30 10 JFEE Cc1c(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c(N2C[C@H](C)O[C@H](C)C2)n(C)c(=O)c1C#N 2314426075 KICJJAWVDGVLAF-LZWOXQAQSA-N 488.635 2.559 30 10 JFEE CCN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2315683302 FXOBVKOQMCLRCS-AWEZNQCLSA-N 451.398 2.914 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2315694384 YLHYWGBUIZVCSI-KGLIPLIRSA-N 451.398 2.864 30 10 JFEE Cc1nc(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)c(B2OC(C)(C)C(C)(C)O2)s1 2343636291 QYTBPBREXJZCQN-KGLIPLIRSA-N 469.388 2.780 30 10 JFEE Cc1cc(C(=O)N[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)sc1B1OC(C)(C)C(C)(C)O1 2359269741 UNLVDUUTMTVKKZ-OWCLPIDISA-N 478.420 2.720 30 10 JFEE Cc1cnc(C(=O)NC[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 2359280487 YGBJUQJKXZWPGS-JFIYKMOQSA-N 457.380 2.674 30 10 JFEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679850 IJHQQSNLMBDILN-DEOSSOPVSA-N 462.396 2.840 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 14079865 UERKTXCGRRCKEM-UHFFFAOYSA-N 468.510 2.818 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 33033064 WIVSPBABFYJUQV-UHFFFAOYSA-N 497.621 2.670 30 10 JFEE Cc1ccc(OC[C@@H](O)Cn2c(N/N=C/c3ccc(C(C)C)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 33890138 IFEATGHWNOIMOD-ZAHDWXQSSA-N 490.564 2.741 30 10 JFEE C=CCn1c(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)nnc1-c1ccc([N+](=O)[O-])cc1 59792106 ILIBYWTVNQURBM-UHFFFAOYSA-N 464.463 2.654 30 10 JFEE C=CC[C@@H]1CC[C@H](C(=O)OC)N1C(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 206915432 PMIHOMILNBFLDE-HSALFYBXSA-N 489.569 2.915 30 10 JFEE CCOCCn1c(=C(C#N)C(=O)Nc2c(CC)cccc2CC)sc(=Cc2ccccn2)c1=O 522283465 NWXJAUQMCRPCDH-UHFFFAOYSA-N 476.602 2.608 30 10 JFEE C[C@@H]1CCc2c(sc3nc(CCN4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc(N)c23)C1 552633657 FIGOSSMUOMQHNY-MRXNPFEDSA-N 496.662 2.819 30 10 JFEE N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CC2)cc1 609436986 ZVEBAPZIGJWMSZ-JOCHJYFZSA-N 468.579 2.861 30 10 JFEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(OC)ccc1OC 729672559 URDDGXGZXQPOPU-INIZCTEOSA-N 488.569 2.682 30 10 JFEE C=CCNC(=O)Cn1c(=CC(=O)c2ccccc2C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 730841842 QQIMWSHQHPZVJT-UHFFFAOYSA-N 497.960 2.574 30 10 JFEE C[C@@H]1SC[C@@H](C(=O)O)N1C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757470581 JRNCRCUAJBYHEG-BTYIYWSLSA-N 450.516 2.903 30 10 JFEE CCCc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nnn1-c1cccc(Cl)c1 1127221159 HRJHNZORJUEIOM-HNNXBMFYSA-N 450.934 2.886 30 10 JFEE C#CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1128750677 VSSMYNHTYOTXTR-UHFFFAOYSA-N 458.536 2.519 30 10 JFEE N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)n1 1129590003 GVMQHXNGAORLDF-UHFFFAOYSA-N 454.487 2.705 30 10 JFEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C(=O)N1CCCC1)C(C)C 1130377986 BSBQVCQAUODTIN-SFHVURJKSA-N 452.349 2.861 30 10 JFEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)n(-c2ccccc2)c1C 1192223590 GFTIHSHOCLLOSG-QGZVFWFLSA-N 454.538 2.777 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1286274385 JLMBLSXDDHUKDH-FOIQADDNSA-N 467.496 2.698 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@H](OC)C(F)(F)F)c1 1286308372 ILFBUWLWWBMKRH-SFHVURJKSA-N 492.502 2.538 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCNC(=O)C(C)(C)C)c1 1286312291 WERCCGVPNDGROU-UHFFFAOYSA-N 493.637 2.852 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCCC1(C)C 1286428430 SLAWFGXDEHCZEP-FQRUVTKNSA-N 485.629 2.991 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1286472158 VTRCPNCGINHBSC-UHFFFAOYSA-N 480.613 2.505 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286540005 HTXZAAIWFYBKIK-MRXNPFEDSA-N 491.409 2.706 30 10 JFEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286588024 YEAJNKSTFKBVCN-MRXNPFEDSA-N 459.348 2.756 30 10 JFEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1286778374 BCWAPQRHWCJPSL-KXBFYZLASA-N 463.941 2.943 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286782486 WJXVWFDIXPSGSQ-UHFFFAOYSA-N 493.431 2.566 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CC[C@H](F)C1 1288850876 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2.840 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2cccs2)CC1 1300709902 KHIMERZZGARWDD-QHCPKHFHSA-N 455.559 2.721 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNC(=O)C(C)(C)C)CC1 1300719506 DJIYXYYZLRCPJB-UHFFFAOYSA-N 489.624 2.565 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1300725370 HGIZAOHMXCWHDO-FDFHNCONSA-N 498.672 2.945 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300798389 NOUROUPYOSRSOH-RPBOFIJWSA-N 486.638 2.912 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1300864185 ZVQWNFJSFSNEBJ-KURKYZTESA-N 470.540 2.568 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1300874106 LPCBMVLIZVUVAA-KHOMTPLRSA-N 466.586 2.830 30 10 JFEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301202409 IWVRBJAIPSHTPU-LPHOPBHVSA-N 456.522 2.996 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1301483975 YULGYWKLQXZKAC-SJORKVTESA-N 491.434 2.991 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)(F)F)C1 1301502428 HVNKSOPZZZYXGT-YOEHRIQHSA-N 451.449 2.872 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1301553293 JMGPOTZMIVMABB-FQEVSTJZSA-N 450.518 2.999 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1301589442 SBGRSLQYLLOJFM-FDDCHVKYSA-N 497.662 2.814 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1301611899 IDXUNPQMTFGIAI-INIZCTEOSA-N 497.609 2.699 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1301612354 LLZDCODUSKOINV-RBUKOAKNSA-N 491.683 2.823 30 10 JFEE CN(CCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(=O)OC(C)(C)C 1314864434 CRBIDGPXTQXMJU-UHFFFAOYSA-N 466.590 2.691 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2nccn2C(F)F)c1 1358903204 ODZILAWDMDPDSY-UHFFFAOYSA-N 476.491 2.960 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358964255 WKWWVRQTVXSCFN-JRFVFWCSSA-N 499.681 2.709 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1358965453 VKWBMLOJBHMPJK-YADHBBJMSA-N 473.618 2.509 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCC(C)C 1358979488 OCILXBUJBCMTSW-HXUWFJFHSA-N 459.591 2.722 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCCCCC2)CC1 1359042096 RCOSVTOVRUGLGU-UHFFFAOYSA-N 494.640 2.804 30 10 JFEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1359050919 HKCBDKOQISKDNQ-GOSISDBHSA-N 489.648 2.749 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1359064121 LPCNAYLRXIBLJE-FZKQIMNGSA-N 486.461 2.947 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1 1359113310 FPOFNEBSQQXSLS-FPOVZHCZSA-N 477.631 2.789 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359226070 VRHCWUJAGGIQRX-OALUTQOASA-N 465.602 2.704 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCOCC1 1359254689 AAGDMHGGXGELOY-NRFANRHFSA-N 477.613 2.547 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1359300476 CMNWBWBOHFNKMB-UHFFFAOYSA-N 456.566 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359328800 ONXQLPUMENWXDC-SFHVURJKSA-N 485.610 2.985 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1359335973 ADXMGWPDHHKCME-TYPHKJRUSA-N 476.599 2.650 30 10 JFEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359343802 BURPNPFSFNFKDX-UHFFFAOYSA-N 481.601 2.748 30 10 JFEE C#CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1 1437054770 CQSPQONECRZISW-UHFFFAOYSA-N 451.592 2.679 30 10 JFEE CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C 1476119042 AAAWWEBXFWBXSM-HXUWFJFHSA-N 455.540 2.551 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H](C)C1 1503238257 DPHYNURBAGEZCQ-RTBURBONSA-N 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497.646 2.758 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(S(C)(=O)=O)CC1 1690008142 WVHXTXVIJXRBFQ-UHFFFAOYSA-N 461.385 2.666 30 10 JFEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc2c(s1)C[C@H](C)CC2 1690095476 RHMVWVFVZDSGKQ-UZUQRXQVSA-N 459.616 2.646 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)cc2F)CC1 1690150780 VHDGSFHJFZVEIH-UHFFFAOYSA-N 482.585 2.796 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690172406 FBCCAEGAWGLKRJ-LJQANCHMSA-N 490.674 2.721 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690252598 GNGZWAHUAFNIDI-XTJBDQBJSA-N 475.634 2.747 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1690254452 AWWDDTLBPFHLGL-WWNBULGVSA-N 460.497 2.679 30 10 JFEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1690296914 WPWXWJGIHAXVSR-UHFFFAOYSA-N 451.618 2.627 30 10 JFEE C=C(C)Cn1c(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)nnc1[C@]1(OCC)CCOC1 1690298181 RPPXCUKRADSPPT-QHCPKHFHSA-N 478.041 2.778 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690319352 JXWKHTBUHAQTHF-UHFFFAOYSA-N 484.022 2.575 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690500472 WWDRUOSOWHKWPU-QGZVFWFLSA-N 492.378 2.908 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(F)(F)CO1 1690561703 ZRHJEPDISUOARJ-LJQANCHMSA-N 456.497 2.889 30 10 JFEE C=CCNC(=O)Cn1c(N(C)Cc2cc(F)c(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1690677050 LNBWYCKDHJCSNP-JOCHJYFZSA-N 467.492 2.675 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCN(C)C(=O)C2)cc1 1690679200 NJICJVHXQQHULR-UHFFFAOYSA-N 485.386 2.938 30 10 JFEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690683733 SWKJDVNIVPNLJN-NRFANRHFSA-N 467.595 2.890 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1690694544 QMYIKPJMEYHSRQ-OAQYLSRUSA-N 462.554 2.637 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@](C)(C#N)C1 1690722503 LTHBVGFHVRTSCW-HSZRJFAPSA-N 465.583 2.862 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1690725167 HSGBQELUMMQVNJ-UHFFFAOYSA-N 462.616 2.700 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1705523880 AXVZHSSDKVDTHU-SJORKVTESA-N 455.588 2.562 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705525993 BMGDAWVQLOSPFI-MZNJEOGPSA-N 456.543 2.769 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)c(F)c1 1705551795 RBTDIYODCLOYRR-SFHVURJKSA-N 459.522 2.852 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705574383 CDCKWBRNSNDFLF-VWLOTQADSA-N 450.539 2.947 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@H](C)C1 1705621516 FRQHQSVVPMIQRP-IBGZPJMESA-N 452.603 2.965 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1705626835 KPVYRRKBEKPVRE-UHFFFAOYSA-N 459.554 2.998 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1705644677 YYSFDJPZNDGIIO-ZJSXRUAMSA-N 478.641 2.658 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C(N)=O)CC1 1705656043 PHWRSYKENXWVQC-UHFFFAOYSA-N 478.416 2.784 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCS(=O)(=O)CC 1705661690 HPOAJLLTBWQRMV-UHFFFAOYSA-N 499.703 2.630 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1705663637 AJIMQQIMFGYGKU-UHFFFAOYSA-N 495.628 2.998 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705664152 KWYXVZRAUNFGSB-OAQYLSRUSA-N 452.584 2.634 30 10 JFEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705721455 AINNTMDPFQZUSQ-IBGZPJMESA-N 459.566 2.999 30 10 JFEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705727574 NZZKMSRXXDXXOR-UHFFFAOYSA-N 451.568 2.823 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705789542 OMKNTHDYHDFJEY-QGZVFWFLSA-N 473.647 2.898 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ncc(C)s2)CC1 1705819928 XDRHKNJJNGKJSI-GOSISDBHSA-N 480.660 2.726 30 10 JFEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC[C@@H]1NC(=O)NC1=O 1705835213 DDULCYHHIMXGHF-INIZCTEOSA-N 451.556 2.987 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](NC(=O)CC)C1 1705896264 HGRSAZYFHXNQBM-WMZOPIPTSA-N 470.643 2.929 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705897684 RIWHSGBWWAAMHF-RBUKOAKNSA-N 486.592 2.549 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1705938053 LPALGTMSIDIKIT-OAQYLSRUSA-N 473.643 2.749 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nc(C(C)(C)C)cs1 1706878086 FMCFDFKMGNDLGQ-VLIAUNLRSA-N 465.649 2.821 30 10 JFEE Cc1noc(C)c1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1707936675 DPPSTBCADIULHU-QHCPKHFHSA-N 483.598 2.979 30 10 JFEE CC[C@H](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1708378599 CJADEPSUABVZGG-NZQKXSOJSA-N 479.629 2.655 30 10 JFEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(C(=O)N(C)C)c2)CCOC1 1710451236 AEDVJJNNRCCRHG-RUZDIDTESA-N 466.586 2.810 30 10 JFEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N(C)C2CCCCC2)CCOC1 1710451933 GLMOJMSXNBTHTC-XMMPIXPASA-N 458.607 2.851 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2OC)n1 1712343364 CWZBEWBQMXHJSU-OALUTQOASA-N 451.531 2.840 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1722278495 PIOFBULBHQBWSX-MGPUTAFESA-N 457.522 2.548 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC2(N(C)C)CCOCC2)c1 1722305415 QCKNYBJIIZGMEI-LJQANCHMSA-N 452.603 2.959 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722368521 RPNPKBQZIHIHFC-MISYRCLQSA-N 491.658 2.818 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCc1noc(CC)n1 1722420119 FZQVRAMJRLUASA-UHFFFAOYSA-N 459.348 2.982 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCN(CC)C2)CC1 1722444307 WKJGLIXFTCZPSN-GOSISDBHSA-N 455.006 2.906 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1722467249 PEPUAXCZQGCCIV-HRAATJIYSA-N 466.007 2.955 30 10 JFEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722532570 PZVHQWFCRQVLNR-HXUWFJFHSA-N 451.637 2.969 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCC)c(OC)c2)CC1 1722559702 GEDABLWOSWKADF-QGZVFWFLSA-N 463.604 2.890 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722694077 KSAILESMTPXGQA-XYJFISCASA-N 459.616 2.674 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(CC)Cc1cnn(C)c1 1722694297 RAYDWWYMFWJUTN-UHFFFAOYSA-N 464.393 2.831 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nccc(C(F)(F)F)n2)C1 1722725260 NCHHINIPLAGIMS-BXWFABGCSA-N 482.507 2.835 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722728759 YPUYBZSAHOAGIK-QFIPXVFZSA-N 476.002 2.711 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2)CC1 1722738618 MHSHLGBTMRBIPF-SFHVURJKSA-N 453.678 2.554 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722751175 QMXDUIBNASDSTE-UHFFFAOYSA-N 485.610 2.987 30 10 JFEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)C1CC1 1729896636 GWLFIDGYEMCDIT-PGRDOPGGSA-N 466.586 2.847 30 10 JFEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1731002220 DKLDCOGITUIISV-ZWKOTPCHSA-N 461.563 2.880 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCN2CCOCC2(C)C)c1 1740561838 CWBFDYUQXCZVOY-UHFFFAOYSA-N 450.587 2.713 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CSCCS2)n1 1740689511 XUFYXFGWKGWUBM-GOSISDBHSA-N 457.629 2.605 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2OCC)CC1 1740715811 OJUSDJGWHWICGK-UHFFFAOYSA-N 451.600 2.770 30 10 JFEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740721463 JWAZZPCKOXRPRX-IBGZPJMESA-N 454.600 2.572 30 10 JFEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740780009 BPTFYEKYUNWBMB-UHFFFAOYSA-N 456.572 2.724 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740786404 BSLZTIWPYOSWHN-UHFFFAOYSA-N 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CC(C)(C)OC(=O)N1CCC[C@@H](OCCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2289962349 YPJLTEFMFCTLNJ-MRXNPFEDSA-N 464.368 2.725 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1C(=O)O 2325921127 KHRXOBGHTXQGAA-GOSISDBHSA-N 493.545 2.640 30 10 JFEE CCCNC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccccn1 2326736119 LRQABZLNLSWUKR-UHFFFAOYSA-N 454.556 2.782 30 10 JFEE CCN(CC)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327840288 OPZYOHPVBIAEGN-KRWDZBQOSA-N 471.631 2.698 30 10 JFEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331273412 LEXPKQQRTBOHCC-UHFFFAOYSA-N 492.583 2.562 30 10 JFEE CC(C)(C)OC(=O)NCC12CC(CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2340503156 XFPHJSYAOXLXDK-UHFFFAOYSA-N 463.409 2.962 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343819198 AFRGZQFRVNUGCX-BBRMVZONSA-N 486.827 2.999 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(F)c(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2366874012 AAGIYKUIHZXPKT-MRXNPFEDSA-N 468.306 2.838 30 10 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513039512 AUPKCKPQYHFAJI-LJQANCHMSA-N 472.614 2.557 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3[C@H](C)CCC[C@H]3C)nnc12 518614774 WVDDACXOKUIUGX-IAGOWNOFSA-N 454.600 2.701 30 10 JFEE C=CCc1cc(CNC(=O)NCc2ccc(N3CCN(CC)CC3)nc2)cc(OC)c1OC 523649858 INJAJPWRCOHANW-UHFFFAOYSA-N 453.587 2.969 30 10 JFEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(OC)ccc3Br)N2N1 588227432 QIOHKBQZLFLDGJ-GOSISDBHSA-N 457.353 2.520 30 10 JFEE CC1(C)OB(c2cccc(I)c2S(=O)(=O)N2CCCCC2)OC1(C)C 725433034 NYZGQGOTNYGDNS-UHFFFAOYSA-N 477.173 2.765 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@]1(C(=O)O)CCOC1 757220827 PGURQQNAFAQQLW-NVQXNPDNSA-N 462.502 2.619 30 10 JFEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3)n2)s1 1084387971 KRZKVQNRTWOICH-UHFFFAOYSA-N 450.575 2.572 30 10 JFEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 1133867819 BHQYFCYQWQPPLD-SIKLNZKXSA-N 452.465 2.517 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1286281195 FSBZCDYQLFFNPD-STQMWFEESA-N 455.353 2.739 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)nc2)c1 1286308514 JDQPSQPLPUJOST-UHFFFAOYSA-N 477.956 2.667 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286382397 JCYFPWVBYISGDF-FXAWDEMLSA-N 462.019 2.567 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1286387516 RYTNXJYURXJIKQ-CTNGQTDRSA-N 488.013 2.951 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286395248 MENKZFAPMQJPHB-NMMYMHLASA-N 474.627 2.589 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(SC)CCN(C)CC1 1286431623 ZYFZPTGYXNOPHY-UHFFFAOYSA-N 461.639 2.807 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2c(C)cccc2C)CC1 1286488639 PMPCVLSCEYABLW-MHZLTWQESA-N 495.624 2.592 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1286523274 SKYFRDLQMMWUPN-UQBPGWFLSA-N 486.617 2.637 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286567494 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PRVZDLBRSZPIOB-DLBZAZTESA-N 453.522 2.587 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@H](Cc3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301519567 PJEFBVRTDLFAFZ-NLFFAJNJSA-N 471.577 2.829 30 10 JFEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301611001 BVJBQALVNATRBE-HSZRJFAPSA-N 490.580 2.881 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)ccc1F 1304207957 QEPCTZSPPFRSDP-ZDUSSCGKSA-N 458.437 2.729 30 10 JFEE CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1306520580 BMWUNVRIRCAPIL-YKSBVNFPSA-N 452.559 2.515 30 10 JFEE C=CCn1c(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)nnc1-c1ccccn1 1307314046 FFAQWAJWYXVJAS-UHFFFAOYSA-N 458.569 2.521 30 10 JFEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C(=O)OC 1309862789 FMZHVWAUVAVEDV-GFCCVEGCSA-N 452.298 2.551 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)n1 1311737670 VSFZASLYAMDHEH-UHFFFAOYSA-N 457.600 2.510 30 10 JFEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2c(F)cccc2Cl)C1 1316353282 AOSAVGGZLLTPNN-LJQANCHMSA-N 496.996 2.582 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 1354103801 FZSVOIPNPLDMOH-QFIPXVFZSA-N 454.552 2.660 30 10 JFEE C=CCc1cc(CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)cc(OC)c1OC 1356317982 YCFSOLOBDPRRGZ-MRXNPFEDSA-N 450.582 2.650 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1358960099 XFIWQKPVXTXWMT-SFHVURJKSA-N 458.584 2.540 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358960142 YCSYYIVCFGWQPB-FQEVSTJZSA-N 473.618 2.977 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1358961529 ANKAGMGLUPSWCR-FGZHOGPDSA-N 488.658 2.890 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nc(C)c(C)s2)CC1 1359039025 UBTOBNLWMQMOSU-UHFFFAOYSA-N 452.584 2.743 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 1359039678 RGIDUWIYXLCMLY-NRFANRHFSA-N 464.060 2.847 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCN(C)C(C)C)CC1 1359046317 NGZLOCWCVKWEPD-UHFFFAOYSA-N 450.631 2.873 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359058405 CLGMQZIGIBWCNF-GOSISDBHSA-N 453.572 2.715 30 10 JFEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359087777 QAMPTSWDKKWFPD-HZPDHXFCSA-N 465.304 2.888 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1359097122 LEGHYIQKZQVFIH-DWLFOUALSA-N 486.642 2.723 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359227705 JGKKFPPAFGTHMZ-AVRDEDQJSA-N 461.557 2.897 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359229785 VEYZOEZMOGXALN-GUDVDZBRSA-N 454.637 2.803 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359295631 IQKGILDDJUYVRA-AYSMAOOMSA-N 463.941 2.813 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359297866 FNXALZRVDBWSSE-UHFFFAOYSA-N 490.612 2.516 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359303375 LYUIDQMPKLEVLJ-UHFFFAOYSA-N 480.613 2.573 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1359307317 HLOOMBQBBMBEMF-UHFFFAOYSA-N 482.610 2.861 30 10 JFEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359347957 WWKVCKMNUKXGKE-FHWLQOOXSA-N 452.621 2.696 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1C(F)(F)F 1359466375 ADVPNXJQTNHJIW-ZIAGYGMSSA-N 458.510 2.746 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 1466064104 IFWYEOBOAVOOCS-NZSAHSFTSA-N 454.575 2.669 30 10 JFEE N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cc1Br 1475008660 DLYKYKIECBSQCL-ZDUSSCGKSA-N 452.305 2.823 30 10 JFEE COC(=O)CSCc1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1476114854 ANGCUPTXJHGCTE-FQEVSTJZSA-N 452.536 2.887 30 10 JFEE CO[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N)C(C)(C)C 1503970390 IFONBWWENZSWDT-APWZRJJASA-N 462.620 2.995 30 10 JFEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1)C(C)(C)C 1504001124 AJTKTEINOKFMJA-FPOVZHCZSA-N 454.575 2.895 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCOC[C@@H]1CCOC1 1507547500 LTLXLEUVMSKHTO-LWYYNNOASA-N 461.607 2.950 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCOC(C)(C)C)c1 1507550146 UYNMZCNSMRTLLI-VWLOTQADSA-N 469.586 2.802 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cn(CCCC)nc1C 1507648286 MVKYHWSBRJJEOT-UHFFFAOYSA-N 478.626 2.664 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccnc1N1CCOCC1 1507680967 MPKGTNOMZIHSHJ-UHFFFAOYSA-N 470.375 2.775 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CNC(=O)OC(C)(C)C 1507686627 FFWVTQSEHPQMSB-QGZVFWFLSA-N 479.585 2.812 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507780277 OBLNCLZRFONPNJ-OAHLLOKOSA-N 494.781 2.669 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507830557 HLIVCUFRFPEPJN-HXUWFJFHSA-N 494.600 2.756 30 10 JFEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCn2cc(CO)nn2)CC1 1507884620 KORSFIIGTZAKRZ-UHFFFAOYSA-N 486.621 2.723 30 10 JFEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507939252 JYUXWBGHEAPEDC-OAQYLSRUSA-N 490.406 2.827 30 10 JFEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1508051784 YUMWCWGTGSLHBW-QGZVFWFLSA-N 465.562 2.848 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1508077671 PZMMZUDPKJEPCN-UHFFFAOYSA-N 454.575 2.724 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](CCOC)C1 1508089648 JXZWPKVYZDQUFO-GOSISDBHSA-N 476.622 2.558 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1508117353 TWESSQXNQJFDGE-YGOYIFOWSA-N 460.575 2.829 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCCC[C@H]2C1 1508144125 QLPZJJCMZBLCMB-NRFANRHFSA-N 473.643 2.749 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508148426 HGKXOTFXEFYVMY-XLAORIBOSA-N 499.703 2.980 30 10 JFEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1508443853 ADGFLNPSAXDNBO-PZJWPPBQSA-N 498.653 2.773 30 10 JFEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1511924052 FIEWKCMPCCTLID-UHFFFAOYSA-N 454.556 2.678 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1538975637 ATWIWEJPWBZKCD-CPJSRVTESA-N 453.587 2.662 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(N2CCOCC2)nc1 1539031248 GQRBQFFRZAEZBN-SFHVURJKSA-N 450.518 2.734 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)c1 1539038136 LTHLBPXJTQVEPO-VQSBYGRUSA-N 486.642 2.942 30 10 JFEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539142885 XQYJKZDOSOCKHW-RBZQAINGSA-N 486.705 2.841 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1539391911 JPYTUCVNKSEWJO-UHFFFAOYSA-N 478.528 2.975 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1539434275 GMGADMYJPQLJBE-UNMCSNQZSA-N 484.670 2.777 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1539437528 DBZBFWHSRAARJM-UHFFFAOYSA-N 462.598 2.981 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1539441403 NUCHJMGSUKXJST-UHFFFAOYSA-N 482.585 2.732 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(COC(C)(C)C)on2)CC1 1539476119 SQWDXEAOUUTIDY-UHFFFAOYSA-N 479.585 2.601 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1539487998 DIHPYBMHEFCROI-AREMUKBSSA-N 496.681 2.569 30 10 JFEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1539573677 BUOUZNRCYIHLPZ-SFHVURJKSA-N 464.408 2.872 30 10 JFEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1539831533 JLWNSEMBTGMMPT-DEOSSOPVSA-N 490.626 2.958 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1540126512 KJQBGHYAXQMBFU-UHFFFAOYSA-N 476.459 2.877 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 1540862692 HDHLFZRCDTXTKW-INIZCTEOSA-N 453.534 2.710 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1540888162 LGJVOCRXISDMLN-PKTZIBPZSA-N 450.587 2.955 30 10 JFEE Cc1cnn(CCC(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@H]2C(N)=O)c1 1548379585 FIHUQHGLHKUEDF-FQEVSTJZSA-N 488.514 2.845 30 10 JFEE CCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)COC)CC1 1548400679 PWQWXKRFRHERSS-RBUKOAKNSA-N 466.504 2.651 30 10 JFEE COC1CCN(C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1555159065 FSWUZBCHRSFRTD-HSZRJFAPSA-N 489.621 2.601 30 10 JFEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)C[C@H]1OC 1555791052 DXBFADJFKQCFBR-JXALWOEJSA-N 455.559 2.520 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1 1556582321 NIVXCGKLNOTOJE-IRXDYDNUSA-N 455.552 2.570 30 10 JFEE COc1cc(C(=O)NCCn2cnc(C#N)n2)ccc1OCc1ccc(Br)cc1 1586934813 CBLUYKNUKKSKCF-UHFFFAOYSA-N 456.300 2.930 30 10 JFEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1587852658 XDGXLWBHDXDYLG-IBGZPJMESA-N 454.962 2.649 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588069714 SSTISSFYZZHYFL-OAQYLSRUSA-N 472.611 2.609 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(SC)c1 1588193339 BJSMPCDMHMURPH-UHFFFAOYSA-N 465.604 2.977 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCC)c(OC)c2)CC1 1588914110 WSJGMNQFTPUGEO-UHFFFAOYSA-N 474.565 2.762 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1593884647 IVYLISGOOAPRMT-SOABOVLPSA-N 467.998 2.936 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 1594202410 OXLBEOABHKHXJW-VWLOTQADSA-N 453.587 2.935 30 10 JFEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1594628117 YYKQWEOEFIOUPX-OAQYLSRUSA-N 459.616 2.790 30 10 JFEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1594798035 MUZZWOPQDSNBNE-QFIPXVFZSA-N 450.587 2.958 30 10 JFEE 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C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1301189280 UKYLBVCTXOVQCT-RTWAWAEBSA-N 475.615 2.545 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCS(=O)(=O)C1 1301354461 ATXSXOLSWMSYLZ-CUWPLCDZSA-N 478.590 2.769 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1301402299 LLGIKPQYVNCWAP-HSZRJFAPSA-N 496.637 2.598 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301579864 ZMMCWZWZNBYEQU-LJQANCHMSA-N 498.653 2.779 30 10 JFEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)OC(C)(C)C 1306302721 PWLZNSDNOXGKFP-UHFFFAOYSA-N 450.542 2.753 30 10 JFEE C#CCN1CCC(NC(=O)Nc2cc(C(=O)OCC)ccc2I)CC1 1311115505 ZDKNUGANCZQRHJ-UHFFFAOYSA-N 455.296 2.687 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)c1 1350922368 AVYQDGIIJPSQEF-UHFFFAOYSA-N 455.492 2.942 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358895712 PFKBOHCHMWMHLE-IBGZPJMESA-N 464.570 2.612 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2nc(C)c(C)s2)c1 1358900767 RRWXZMOFTFHYML-UHFFFAOYSA-N 491.621 2.886 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1358957082 PFZYMWZVMPHTLC-OXQOHEQNSA-N 487.532 2.766 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358957293 SCEGMBVSBMRSJK-RTBURBONSA-N 477.606 2.524 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1358960911 OBSCTYXHRSOVSS-IAGOWNOFSA-N 464.542 2.577 30 10 JFEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1358963116 BVZQYNNUGFPWLA-IBGZPJMESA-N 479.647 2.819 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](N1CCOCC1)C(F)(F)F 1359009959 CKUHNIMBHBRHIY-MOPGFXCFSA-N 465.476 2.513 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359080089 FRLDQBYVGNLMRX-SFHVURJKSA-N 459.348 2.964 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](COC)C1 1359093719 RICJZDPQHIUYNC-JLMWRMLUSA-N 488.585 2.804 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1359117308 UGIMPCXQBVBCKU-UHFFFAOYSA-N 477.569 2.841 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(N)=O)CC1 1359132576 AQAXGKLVWPBMPP-IBGZPJMESA-N 476.622 2.687 30 10 JFEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)NCC)CC1 1359135874 QMZFKPPAILSGCF-UHFFFAOYSA-N 456.591 2.918 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@H](C)C2)CC1 1359174192 XRSSGWCYRTUROK-RBUKOAKNSA-N 452.669 2.803 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359174436 CSJWEZBSNLXZAX-LJQANCHMSA-N 469.586 2.860 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1359192949 SNRPIVRJUZQGHR-AREMUKBSSA-N 482.629 2.958 30 10 JFEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1)c1ccccc1 1359195718 QNCINFFPQLROHK-LJQANCHMSA-N 464.595 2.956 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359309938 HWQUKGLBCFAUNU-RBUKOAKNSA-N 482.585 2.946 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359342720 DGURBFXADFQYBZ-SFHVURJKSA-N 495.696 2.513 30 10 JFEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)CC1 1447298853 BHDANERDJMBWHC-ICSRJNTNSA-N 450.495 2.623 30 10 JFEE C=CCSc1ccccc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1449277770 ZZGYUYBAKDIQOF-GOSISDBHSA-N 453.612 2.541 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)OC)ccc1C 1464517207 NZZDBVUDMHMJED-UHFFFAOYSA-N 450.557 2.805 30 10 JFEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1)c1ccccc1 1465077140 ZCOXVIRBBCBJOO-WIYYLYMNSA-N 455.536 2.756 30 10 JFEE C=CCN1CCC(NC(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC1 1477805326 IUCUSAZDNFWLSW-UHFFFAOYSA-N 450.381 2.855 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1496650410 HINXRXQIUJXZAR-JOCHJYFZSA-N 474.617 2.695 30 10 JFEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CCOC1 1504056697 FQDHZALHNXKRDA-YKSBVNFPSA-N 455.559 2.786 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCO[C@H](C)C2)cc1OC 1504184021 DONSIJWQDUZHJK-KOSHJBKYSA-N 472.565 2.905 30 10 JFEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1505319977 BDWKLXMJSFRLST-QGZVFWFLSA-N 453.513 2.634 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C1CCCCC1 1507520701 FZVNZSRTKSXOJM-QGZVFWFLSA-N 457.600 2.598 30 10 JFEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507571098 PODIKIOFYAVPCF-OAQYLSRUSA-N 455.534 2.627 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507581712 YPXPHWGNRSXTMN-HNNXBMFYSA-N 467.389 2.753 30 10 JFEE C#CCCCn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507598376 DKGRHMAYJGOYFO-JYFHCDHNSA-N 467.614 2.588 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccc(C(F)(F)F)n1 1507617667 YCOFSGHQDDOMOV-HNNXBMFYSA-N 495.506 2.707 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC[C@@H]1CC 1507653568 ZKIKMCNFTPXJOZ-VXKWHMMOSA-N 484.645 2.924 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1507668992 PUYDLYXUSFAZIM-MRXNPFEDSA-N 461.385 2.605 30 10 JFEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCN(CC)CC1 1507681596 XITYHCVTYXWJPC-GOSISDBHSA-N 476.467 2.779 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(C)COCCO2)CC1 1507721612 WXXULLHKFHLLIT-QFIPXVFZSA-N 474.403 2.577 30 10 JFEE C=C(Br)Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507780658 DIJVAMIMZGYRSU-QGZVFWFLSA-N 469.405 2.884 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1507791251 JSFBBVHSYIKCQD-XHSDSOJGSA-N 497.394 2.995 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1507794009 GGBZYEFHSRFPOP-JTSKRJEESA-N 490.004 2.883 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C)CC1 1507804526 KFUNZOBJBDHZAJ-CTNGQTDRSA-N 482.633 2.603 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1507820781 MWSXKPCVXJCRLW-XLIONFOSSA-N 461.588 2.617 30 10 JFEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507836786 AIPDFPMVIJYGPR-OAQYLSRUSA-N 461.632 2.884 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1507872557 DSMUDYXZAGSRHM-INIZCTEOSA-N 468.986 2.573 30 10 JFEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507888222 XTHICFRDLUFJDX-FQEVSTJZSA-N 451.550 2.779 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1508121834 HBUCEGDUGZEEPD-NHCUHLMSSA-N 460.600 2.546 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)C1 1508126688 IMJXTELYBGMYTF-YDLHNXBPSA-N 477.606 2.671 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1508129938 FHFPAKKIQCSNTM-HDICACEKSA-N 478.018 2.555 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2ccc(OCC)cc2C1 1508145350 ZSLGXOIECSQKLC-UHFFFAOYSA-N 467.595 2.826 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1508160355 TVJOGKJDROOPNT-LJQANCHMSA-N 475.663 2.749 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1516585283 BKSPTJRLNLPWFI-SFHVURJKSA-N 484.605 2.569 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4cc(OC)c(OC)c(OC)c4CC3)cc2C1=O 1518230400 UUGXPYCHEKSREB-UHFFFAOYSA-N 450.491 2.735 30 10 JFEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1519110803 HAURUQVJDCNOOF-NBGIEHNGSA-N 468.602 2.559 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1521082439 GVKFFBVSBOQCCV-FQEVSTJZSA-N 483.516 2.535 30 10 JFEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(C)(C)C)CC1 1539116477 OJEGRBKZPVGURP-UHFFFAOYSA-N 457.648 2.962 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1539210852 HBWROGGIEQVICQ-JOCHJYFZSA-N 478.622 2.861 30 10 JFEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539231635 UQCVSOFFPCYOOQ-RDJZCZTQSA-N 469.032 2.885 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)OC(C)(C)C 1539409219 SLOOEESRVWXJDF-UHFFFAOYSA-N 465.558 2.742 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1539482577 VFRNCACNCYOTRT-OAQYLSRUSA-N 498.697 2.968 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539520690 VSAVRAAEWIDNEC-OAHLLOKOSA-N 454.568 2.527 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539526280 MGPXGSYXIQEBIL-UHFFFAOYSA-N 481.601 2.608 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1539683553 YWEKAKQNTYSQQG-APWZRJJASA-N 451.568 2.789 30 10 JFEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1F 1539803173 GJJNCRZELINTLC-RHSMWYFYSA-N 457.959 2.700 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540020009 GETFIUAVTMUCTG-QFIPXVFZSA-N 493.450 2.940 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1540866205 GPAMRXQRBPTAHG-UHFFFAOYSA-N 486.020 2.915 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccccc2OC)C1 1540881662 PCVAHNORPCYFKV-RTBURBONSA-N 455.559 2.772 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(O)CCO[C@@H]1C 1541470105 DBTHJNZHVKTWGG-UZUQRXQVSA-N 458.994 2.868 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)n1 1543045242 FXTMDNDPVINWIH-QFIPXVFZSA-N 460.558 2.885 30 10 JFEE C=CCN(C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCS(=O)(=O)C1 1543487485 ULOMSMWNTZVJIT-KRWDZBQOSA-N 454.548 2.727 30 10 JFEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1545143037 DPVJEIGGYOQGEG-GESALYCCSA-N 468.302 2.829 30 10 JFEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1547250417 GFIXPGGBSVGPOK-UHFFFAOYSA-N 480.960 2.834 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1 1562197532 NRAFZHMAGWEEMN-XZOQPEGZSA-N 470.595 2.610 30 10 JFEE COCCS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 1584861721 DUPLPGBAVBEXJC-UHFFFAOYSA-N 459.543 2.650 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2sc(C)nc2C)c1 1587684324 WBFXFYGMSGSILQ-UHFFFAOYSA-N 491.621 2.886 30 10 JFEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1587837716 JSEZAZKLNONUQQ-UHFFFAOYSA-N 452.603 2.748 30 10 JFEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587926945 NCBBIGPXVKZHHJ-HNNXBMFYSA-N 470.379 2.606 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1588050393 SBCUEPBOPNBWIH-CQSZACIVSA-N 493.486 2.880 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1588050886 WZVNEGDHCBOANI-CKHPTIKVSA-N 457.600 2.562 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cn2cccn2)cc1 1588259161 SPPLYPPWNMKNBF-ZEQRLZLVSA-N 458.566 2.758 30 10 JFEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1589089344 QZSOSMWTXSEBOT-IRLDBZIGSA-N 469.655 2.791 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1cccc(F)c1 1589151126 RTWNLVNVGSCSHL-AQOAWAETSA-N 463.579 2.877 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1589651521 ANOFDJZSHOHKAG-UHFFFAOYSA-N 456.572 2.821 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1593728685 AUZMITDGLDTIOT-UHFFFAOYSA-N 484.626 2.777 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCS(C)(=O)=O)CC1 1594070853 ORDMOJKIHISNSV-UHFFFAOYSA-N 455.378 2.917 30 10 JFEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1594102714 YINLXSGGJYJRIT-QFIPXVFZSA-N 466.630 2.977 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCC(OC)CC1 1594896003 RKNIMFPYOPBYSE-UHFFFAOYSA-N 461.632 2.860 30 10 JFEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1595447269 YTHSJBLAQGADAV-UHFFFAOYSA-N 482.629 2.965 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1595577434 RWYKTASFIJCGGR-JOCHJYFZSA-N 479.585 2.570 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)COCCO2)C1 1595753370 HQYNULASBCJVIM-IMWIBFENSA-N 477.606 2.937 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595773146 RNFQHFPUUCLPFJ-SFHVURJKSA-N 487.047 2.603 30 10 JFEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595854843 OXGDQOJCLANMBD-MRXNPFEDSA-N 452.602 2.505 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc(Br)s1 1611658365 CCOSDHVIZHQFDB-VXGBXAGGSA-N 475.438 2.693 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCCCCC1=O 1613313949 CJGLWJHZGHMRDQ-LJQANCHMSA-N 481.649 2.825 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 1615201144 YQXWILXVEQDXMD-UHFFFAOYSA-N 456.428 2.776 30 10 JFEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1616401881 BTOQJTGKXMMQCO-MJGOQNOKSA-N 473.599 2.991 30 10 JFEE COc1ccc(Br)c(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N(C)C)c1 1619147217 IBQAAQOQQPDUFS-FQEVSTJZSA-N 461.364 2.934 30 10 JFEE CSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)ccn1 1620233440 ICKDRLXWOICKAG-INIZCTEOSA-N 463.567 2.561 30 10 JFEE CC(=O)N1CCN(c2cccc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1625311926 KBBCNVSFSGZIRH-UHFFFAOYSA-N 454.571 2.944 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1 1628680462 JOABSPICOBDNSU-UHFFFAOYSA-N 450.576 2.722 30 10 JFEE C=C(C)CN1CCC(NC(=O)NC[C@H](CO)Cc2ccc(OC)c(Br)c2)CC1 1631213330 DTIZXNTYSSUMBT-QGZVFWFLSA-N 454.409 2.948 30 10 JFEE N#Cc1cccc(CN2CCC(NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)CC2)c1 1631704110 FBAKAQZBPBIRLD-VBKFSLOCSA-N 452.580 2.619 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1 1639219351 GCBVTQDRHGGLTN-MRXNPFEDSA-N 459.377 2.679 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1641703832 WMNXXRPCDUHATR-OAGGEKHMSA-N 450.001 2.532 30 10 JFEE C#CCN(C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1)C1CCN(C)CC1 1645259049 DRPVMLRYGZPXPY-UHFFFAOYSA-N 450.568 2.630 30 10 JFEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)Cc1noc(C2CC2)n1 1661574502 OTYFSMOOZPMARM-HNNXBMFYSA-N 452.330 2.998 30 10 JFEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)c1 1662609608 CZRTVVAVRFVSIC-INIZCTEOSA-N 454.733 2.836 30 10 JFEE CCOC(=O)c1c(NC(=O)NCc2c(F)cccc2-n2cccn2)c(C#N)cn1CCOC 1676108366 BAQCNAJHFRUHEC-UHFFFAOYSA-N 454.462 2.829 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1689934392 TWEKVQKGOFAIKH-OAHLLOKOSA-N 458.613 2.892 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1689991113 WAPUFFXOEIWUPP-MRXNPFEDSA-N 462.645 2.760 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](CC)N2CCCC2)CC1 1690148313 CEOYGLJNRDNONJ-QHCPKHFHSA-N 466.605 2.848 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cccc(OC)c2)CC1 1690155060 DWEMSAFQXPRJGS-KRWDZBQOSA-N 477.656 2.647 30 10 JFEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1690269793 HTRKJQSKNGUNOM-UHFFFAOYSA-N 452.603 2.683 30 10 JFEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690319793 YSMGOFKVGIFGFE-HXUWFJFHSA-N 466.579 2.992 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690500022 JFVVYDMMPYXOPU-RTWAWAEBSA-N 455.559 2.802 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)nc1 1690559655 IWHVRHSPTBEMIV-NRFANRHFSA-N 456.554 2.803 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690664318 OKROHKYMEJZXCV-DFBJGRDBSA-N 466.586 2.913 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1690672101 HQXFBRIFJJBMBY-UHFFFAOYSA-N 452.603 2.830 30 10 JFEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1690674222 SYRYODPYEZOEHT-UHFFFAOYSA-N 470.593 2.783 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1690715912 XTRHKJQAIHGLPM-CYFREDJKSA-N 489.642 2.598 30 10 JFEE CC(=O)Nc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)cn1 1690875179 FITGXKJWMNBYDW-INIZCTEOSA-N 455.881 2.868 30 10 JFEE CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)cc1 1692568441 AXLQKYMAWAMSJJ-FQEVSTJZSA-N 464.574 2.937 30 10 JFEE Cc1c(Cl)cccc1NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1692949667 FIPKDXWFAAULIK-NRFANRHFSA-N 461.929 2.849 30 10 JFEE CCC(CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1694299716 DQCVYQMMXSCWHM-PGRDOPGGSA-N 465.650 2.974 30 10 JFEE CCCOc1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1695461641 GEFKRPPXHDMMAV-HXUWFJFHSA-N 461.526 2.686 30 10 JFEE CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(CC#N)CC2)CCOCC1 1696604019 CUPJPENKLSKXEM-UHFFFAOYSA-N 486.642 2.589 30 10 JFEE COCCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1697916506 BBTOJQXYNYPRMT-HSZRJFAPSA-N 456.570 2.957 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705490738 PSQSGNFTSNKIQP-BZSNNMDCSA-N 463.586 2.940 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)CCC(F)(F)F 1705550565 NIRBQDSMYWASOF-UHFFFAOYSA-N 471.553 2.582 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1705568869 WNCPWATWDMDRQY-KRWDZBQOSA-N 489.598 2.712 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1705570507 QSEOINYRBJHTTC-KRWDZBQOSA-N 461.638 2.679 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1CCCCO1 1705590489 MSXYJERVWBEERA-HXUWFJFHSA-N 468.627 2.969 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCOCC1 1705597665 NFIHOQUUAFCHPT-HXUWFJFHSA-N 471.602 2.866 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC[C@H]1OC 1705619546 UUBKLBBEDIGKFR-LFAGZIFBSA-N 472.561 2.761 30 10 JFEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C 1705659056 KFLZRCXMHUXFAZ-INIZCTEOSA-N 452.584 2.562 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705661307 YFYGAGOCIDAPQS-UHFFFAOYSA-N 478.601 2.615 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1C 1705700673 XEKAJZDGZVWOME-VWPQPMDRSA-N 474.627 2.985 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705731374 UXFZVTUBOLXQGR-QGZVFWFLSA-N 469.571 2.861 30 10 JFEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705830115 JKKTUZSHCIVUNS-NRFANRHFSA-N 460.667 2.982 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1705830639 UTSBWQPKNFTSGB-FPOVZHCZSA-N 460.600 2.659 30 10 JFEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1705892370 AQDIMGMDRWPBHB-UHFFFAOYSA-N 453.996 2.519 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(I)cc2)C1 1705921848 ALWALVWGZCBPCL-IAGOWNOFSA-N 493.349 2.663 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCCn2cc(Br)cn2)C1 1705922827 TTZQHPRACBDERG-KRWDZBQOSA-N 473.379 2.956 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C)S(C)(=O)=O 1706081830 HKRTVXJAVPIGHW-OXVFITQMSA-N 465.645 2.622 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OCCC 1722295182 UNOMHUJQQCVUFM-QGZVFWFLSA-N 467.599 2.928 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722310901 PHAIHQRPLNNBIS-KRWDZBQOSA-N 488.390 2.606 30 10 JFEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC(=O)N1CCOCC1 1722311590 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1722702431 KOLJZZNOJYZYEB-HXUWFJFHSA-N 482.585 2.842 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cn[nH]c2)C1 1722725674 QHRSGQSMQOTCGB-CEXWTWQISA-N 457.579 2.796 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1722728813 YTXOLLRQGPIZPU-FQEVSTJZSA-N 485.610 2.692 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1728633253 HXDPJCKMKIXZOY-QFQXNSOFSA-N 483.636 2.787 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccncc2Cl)c1 1740564179 DOVLAGVOWANBIH-UHFFFAOYSA-N 477.956 2.553 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1740627293 PDGTXIMPSSWWPW-CABCVRRESA-N 499.456 2.671 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740642385 WDQXEJVNEGGNRU-GOTSBHOMSA-N 489.599 2.893 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1740685940 NLYMOVKTXCJXKF-UHFFFAOYSA-N 459.038 2.634 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1740689416 DHDUJBLIPQANQW-PZJWPPBQSA-N 458.651 2.793 30 10 JFEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2CCN(C(=O)OC)CC2)CC1 1740698914 PTNXCPBSAGZVRI-UHFFFAOYSA-N 464.614 2.687 30 10 JFEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740710867 CGVRWEDFGNPFSD-UHFFFAOYSA-N 471.587 2.804 30 10 JFEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1740721849 VRVIDJNWTOTPLE-UHFFFAOYSA-N 456.616 2.692 30 10 JFEE C=C(C)COCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740799736 USWWGHUUUJIXHA-LJQANCHMSA-N 462.513 2.805 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1740851557 ZCWQSBNXTAYNKE-SJORKVTESA-N 457.666 2.545 30 10 JFEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)CC1 1740884057 OCHPLWZPVJYAAO-UHFFFAOYSA-N 452.328 2.766 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1740888930 XHPNEANRFBHVBJ-RBUKOAKNSA-N 465.595 2.652 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 1740952755 MTPYMTYAGPBKME-SFHVURJKSA-N 472.565 2.554 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(N(C)C)CCOCC2)C1 1740984351 AFKLJYFPWFALTN-LJQANCHMSA-N 459.566 2.888 30 10 JFEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740995274 GRRXZILJQBILLD-PNLZDCPESA-N 451.637 2.888 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740997940 FWQPCCQQHKPNAX-FXAWDEMLSA-N 490.077 2.902 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C1 1741097346 CVXZTDDHKKPHSR-GBXCKJPGSA-N 452.559 2.650 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC(F)(F)F)C1 1741799201 IAJDDLHNQFVENW-HOTGVXAUSA-N 498.579 2.861 30 10 JFEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCC[C@@H]2C)cc(OC)c1OC 1748520557 DHZWNKNNQZHYJT-UQDCGMOVSA-N 459.522 2.964 30 10 JFEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1OC 1748615942 DVKKCMFIBBUTNG-SFHVURJKSA-N 473.599 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2.585 30 10 JFEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749106740 KMPCDIUBMVJCCI-CRAIPNDOSA-N 474.359 2.619 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749133053 HDBNRFGWEKAJFQ-FYYLOGMGSA-N 452.603 2.940 30 10 JFEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1749744005 DJNJAPLYGZPIAJ-KRWDZBQOSA-N 483.635 2.948 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749761165 WMCNYSTVJZGQGB-LJQANCHMSA-N 491.662 2.789 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1750077251 FHKKBLXMHJWKFF-WZONZLPQSA-N 458.607 2.812 30 10 JFEE Cc1nccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1751807368 HPSCDKPHUCYEOM-QFIPXVFZSA-N 470.940 2.899 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OC)c1OC 1760109834 FVLKHXIWFQPUQW-MRXNPFEDSA-N 468.583 2.762 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1760144667 YCCLFCKDHSNQGN-MOPGFXCFSA-N 451.575 2.860 30 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C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)(C)C)cs2)CC1 1760270823 BPRRETGOXHDVAG-UHFFFAOYSA-N 494.669 2.908 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1c(F)cccc1F)C1CC1 1760280970 KEPXKFOFZRNEDG-HNNXBMFYSA-N 466.579 2.994 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760285137 YEFIDKHIKSOPCI-LJQANCHMSA-N 473.647 2.857 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1760325953 SVTOEIWQAIXSDD-FDDCHVKYSA-N 490.004 2.787 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760332243 XDCZABUUAFPIQN-HXUWFJFHSA-N 499.431 2.668 30 10 JFEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760448364 AKHNYBRPSFQNBV-UHFFFAOYSA-N 450.518 2.921 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)CCOCC2)C1 1760539862 XDOOXGJLRCBNCD-LJQANCHMSA-N 460.600 2.947 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1760540868 QGQROVISICTTHA-LJQANCHMSA-N 469.567 2.604 30 10 JFEE 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2.617 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282871357 FTFLIJYTVQSAEU-CQSZACIVSA-N 488.362 2.552 30 10 JFEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283057498 UWVAYHJKAAPLSU-HZPDHXFCSA-N 460.384 2.589 30 10 JFEE Cc1csc(CN(C)C(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2283947660 CVMIZHKDGSJQPO-MRXNPFEDSA-N 480.436 2.950 30 10 JFEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)ccc1B1OC(C)(C)C(C)(C)O1 2283965108 PVWIISJVFXJDFC-KRWDZBQOSA-N 462.352 2.689 30 10 JFEE C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283968798 GTFPWXMGEXSJIT-IPELMVKDSA-N 460.380 2.533 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)[C@H]2CCCO[C@H]2C1(C)C 2283987982 PDZLNFYKYGVSRX-SRGWNRLKSA-N 462.396 2.836 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)C2=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1 2284055555 VLEXJOSKLLYBJW-OALUTQOASA-N 458.364 2.817 30 10 JFEE 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469.405 2.922 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2C[C@H]1CO2 1286815170 NSSPUYVPQAAYER-HOCLYGCPSA-N 497.415 2.685 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@H](C)C1 1286816333 HNLDONXALBMDDT-HUUCEWRRSA-N 469.405 2.922 30 10 JFEE C=CCSCCn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286836069 GRIFPOXWZDYKGD-QFBILLFUSA-N 463.570 2.922 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1300307999 LCLMWFGVGYCGDB-NHCUHLMSSA-N 487.693 2.877 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)nc2)c1 1300336339 DCEXWKVEYHIJKW-UHFFFAOYSA-N 468.565 2.948 30 10 JFEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1300362090 KMFWYWPJFGZKER-OAQYLSRUSA-N 452.559 2.865 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300424591 JPKFQMCRHTXYMU-IBGZPJMESA-N 494.662 2.624 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300504860 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C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1539607700 MAPBHVQKOATJAQ-UZLBHIALSA-N 487.402 2.794 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OCC)C2CCCC2)CC1 1539847130 AFGCQCHXQMYXOM-LEWJYISDSA-N 481.663 2.753 30 10 JFEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCOCC2)CC1 1540029788 YUZNETFFWUOJQS-UHFFFAOYSA-N 456.547 2.747 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1540905554 XFSDYETTZKPTSY-NRFANRHFSA-N 499.641 2.528 30 10 JFEE C=CCN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 1542975259 RKFVYLRLXPYHPN-UHFFFAOYSA-N 457.552 2.639 30 10 JFEE C#CCN(C(=O)Cc1nc(C2CCOCC2)n[nH]1)[C@H]1CCOc2ccc(Br)cc21 1543686106 TZWDFQRFVRRMKJ-KRWDZBQOSA-N 459.344 2.989 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CCN1CC(F)(F)F 1544747275 GSGIPAVNMQUPGF-ZZQXMTQJSA-N 466.533 2.801 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1547407113 CQGOBSDBODPMFK-UHFFFAOYSA-N 451.575 2.570 30 10 JFEE 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C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)N1CCCC1 1705628950 SWVMFZGHRHIGEP-RTWAWAEBSA-N 490.649 2.547 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(F)(F)F)n2)CC1 1705649323 SWSIJEZFISIUQJ-UHFFFAOYSA-N 457.460 2.701 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1705652459 ADAWTZXSNTVTFZ-UHFFFAOYSA-N 490.674 2.964 30 10 JFEE C#CCSCCn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1[C@]1(OCC)CCOC1 1705665276 PIRBQHJCXANVHJ-QHCPKHFHSA-N 486.598 2.531 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COc2ccccc2)C1 1705680792 HMOZLDPQQKMKME-HZPDHXFCSA-N 484.420 2.702 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705693258 DOQGIBIHNIIOPX-ZRCGQRJVSA-N 488.677 2.867 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCn1cccn1 1705697710 XGTHMKSPIFFOCU-TZIWHRDSSA-N 470.599 2.663 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1705710355 LRNKAVBOIQLHLO-UHFFFAOYSA-N 474.993 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccsc1Br 1706878310 FUKNBNPFGSSWQM-SJCJKPOMSA-N 487.449 2.891 30 10 JFEE Cc1nc(C)c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)s1 1707734810 BSDKTBANUUJLLE-HNNXBMFYSA-N 473.628 2.712 30 10 JFEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(F)(F)C1 1712454387 DRANZJRYHWMOMU-INIZCTEOSA-N 471.512 2.994 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCN(CC)CC1 1722276405 DTOKOHIRFRQQDP-QZTJIDSGSA-N 476.467 2.778 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1722285531 XLTRSSXIGVHHGR-PMACEKPBSA-N 466.630 2.923 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)c1 1722307658 SNNQIEUKPFMJOC-UHFFFAOYSA-N 451.490 2.833 30 10 JFEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722330391 SSFOVBGQKPMBGZ-HXUWFJFHSA-N 459.598 2.799 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722360830 WIFNNSHKBONEJP-QFIPXVFZSA-N 466.611 2.729 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1722363905 CMMLUJGJEUKKRC-HXUWFJFHSA-N 469.998 2.787 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1722369557 AWOWHACXHANQGG-IPMKNSEASA-N 466.648 2.639 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCN1CCC 1722376190 LNGOFMRNTURJGN-OAQYLSRUSA-N 481.670 2.884 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)NC2CCCCC2)CC1 1722448021 UJBSWRANXILOQO-UHFFFAOYSA-N 456.635 2.672 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1722450119 YDSNQDRGQWTBSQ-LEWJYISDSA-N 491.640 2.881 30 10 JFEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1722459231 GAZDTUSWDCFGQE-VSKRKVRLSA-N 460.692 2.881 30 10 JFEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)N1CCOCC1 1722479477 GDIQNZOGPOHCAK-UHFFFAOYSA-N 460.332 2.895 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN(CCOC)CC1 1722489233 HKYHIBRIVQTKBG-UHFFFAOYSA-N 454.344 2.673 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722489260 OCEGWTMHKTYYLS-AHRSYUTCSA-N 471.396 2.612 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722495624 HWYBFDPZWTVZLI-VWNXMTODSA-N 466.630 2.917 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722499711 JUAYOFKDQXRJAM-FSGKZVOOSA-N 490.649 2.848 30 10 JFEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722626272 CILLBNROROTQBZ-WOJBJXKFSA-N 483.679 2.650 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722659163 PXJUCOYQAWBGCM-SFHVURJKSA-N 470.574 2.953 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](COC)C1 1722729752 WKOWZUHVNVKVHL-GOSISDBHSA-N 453.008 2.986 30 10 JFEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1727293618 GBMBSTNCLYIOHM-UHFFFAOYSA-N 478.553 2.835 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740558935 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451.493 2.684 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCN2CCCC)CC1 1359038170 MNPYLPVEZMEHBE-NRFANRHFSA-N 483.686 2.679 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1nncn1C 1359050176 IUBYZKMOFUPYSI-OAHLLOKOSA-N 461.393 2.872 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1359064674 XZFMCVFASLVITK-KBMIEXCESA-N 495.653 2.790 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCOC[C@@H]1OC 1359254079 DOWZEUDYIDAAHD-KNQAVFIVSA-N 450.543 2.988 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@H]1C 1359261358 GCUBRMCBFAAHAJ-AOMKIAJQSA-N 454.556 2.719 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1359331717 GOCFFDRPCCILPI-GBESFXJTSA-N 452.621 2.904 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1 1465642741 PLXWJRBVPGCFLI-QGZVFWFLSA-N 452.529 2.512 30 10 JFEE COc1ccc([C@H](CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)N2CCOCC2)cc1 1467583973 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C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1507644666 LIEWELQCNNOMOZ-KAMJJXHCSA-N 474.590 2.731 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2F)CC1 1507668759 CGYHUJRTVHWKKA-QGZVFWFLSA-N 458.534 2.653 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCC2)CC1 1507735077 JOHFKMLRVPKMMG-UHFFFAOYSA-N 459.598 2.657 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(NC(C)=O)cc2)CC1 1507736522 QSZJHXUJEGIQBA-GOSISDBHSA-N 450.587 2.959 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2nnc(CC)s2)CC1 1507742838 RWCINJFNHQDYTO-UHFFFAOYSA-N 463.611 2.605 30 10 JFEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)(=O)CC1 1507756030 FHSUFGATSDXVRV-UHFFFAOYSA-N 462.641 2.756 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)c1ccco1 1507764129 KKMHTSHITVUBGT-RUZDIDTESA-N 479.537 2.986 30 10 JFEE C=C(Br)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCS(=O)(=O)C1 1507791951 UBTFKLQFYKFTDU-CMPLNLGQSA-N 463.308 2.609 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1507800777 PFCPPWADMCROAC-MBSDFSHPSA-N 493.612 2.619 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507803455 GTHRXYHLHIQPCA-AVRDEDQJSA-N 477.606 2.507 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507803485 GAGCJHCVZNLPMJ-IHPCNDPISA-N 476.622 2.893 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1507911517 LIMHKUMDJRXIDO-UHFFFAOYSA-N 461.632 2.719 30 10 JFEE C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)C1 1507920995 ZWNCJGBTJSVNOM-UHFFFAOYSA-N 465.646 2.524 30 10 JFEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1508058609 ZFUHYHRGHFDPPZ-ROUUACIJSA-N 463.586 2.899 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1513168930 DBWMDSKOOHIQED-DZGCQCFKSA-N 479.354 2.880 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1515009266 FLJTYDULEUAXGJ-HSZRJFAPSA-N 477.613 2.818 30 10 JFEE CN(CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 1521689098 GAXCQFIUVJWXFD-UHFFFAOYSA-N 457.943 2.549 30 10 JFEE N#C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CCN1Cc1ccccc1 1530963810 CNGZFKZUZLCDRT-NRFANRHFSA-N 452.580 2.711 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539059898 UHIHMKOWWOHLHD-LJQANCHMSA-N 487.626 2.770 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539229915 ABRARBGOEXRRDF-DHIUTWEWSA-N 485.654 2.587 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1539230368 MLGYQVOQPUCHEO-WIYYLYMNSA-N 490.651 2.778 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1F 1539265683 JEBXUPJHBOIAJQ-HXUWFJFHSA-N 453.518 2.847 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539599719 CLMGOFIGSAUPLN-IBGZPJMESA-N 452.303 2.772 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539629955 CFIQOUPYGDAOBS-HBMCJLEFSA-N 466.648 2.947 30 10 JFEE C=CCC(C)(C)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539929300 RMGGTDJSMRFXHD-XMSQKQJNSA-N 454.637 2.934 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 1540005445 LJEBDAWPAOJREC-MSOLQXFVSA-N 451.618 2.980 30 10 JFEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1540860385 JOTFWQVXYCESTL-QGZVFWFLSA-N 453.547 2.880 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)C(C)(C)C)C1 1540886957 MRMQYEYSEBWJLR-SFHVURJKSA-N 478.615 2.957 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540907537 ZRUYWAITDVDAJX-FQEVSTJZSA-N 490.626 2.541 30 10 JFEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540920264 SUDGCMSWJIEESV-QFIPXVFZSA-N 484.670 2.828 30 10 JFEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(OC(C)(C)C)nc2)CCOC1 1547891070 AHRXNCJVBWDQII-XZOQPEGZSA-N 458.538 2.993 30 10 JFEE CNC(=O)[C@H]1CN(C(=O)CCc2cccc(OC)c2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367730 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1588069153 IHSOLFKRVSGGHQ-BKSPAHHJSA-N 488.654 2.898 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC(C)CC1 1588647037 QPAHAZKFOIXXTR-HSZRJFAPSA-N 453.587 2.999 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1588812744 UBTDRDPMNUIKEV-WOJBJXKFSA-N 458.607 2.674 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)N(C)C)c1 1589143117 YKCDTPYYNQQIIP-AREMUKBSSA-N 471.565 2.862 30 10 JFEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1589427197 CYXBSNXEZHMFAB-UHFFFAOYSA-N 468.359 2.530 30 10 JFEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594582394 PRYXRRAJWJHXJN-UHFFFAOYSA-N 456.978 2.882 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1594788491 NMUBSHLKZABFQQ-WBVHZDCISA-N 477.407 2.601 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1595166759 WXLLQYCXUFWPQS-IBGZPJMESA-N 479.050 2.927 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595544402 HOBKVEGGIYBJSO-OTWHNJEPSA-N 476.622 2.556 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(Cc2cscn2)CC1 1595577537 WHZQKLKTVWDAET-UHFFFAOYSA-N 481.626 2.555 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(C)(C)OC[C@@H]1C 1595766003 KKENCRKLTNQHRU-KRWDZBQOSA-N 470.599 2.940 30 10 JFEE CCN(CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C#N 1615345866 DTLFRDABJXZERF-DLBZAZTESA-N 460.652 2.873 30 10 JFEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1616004326 HEOMZDFYAJNJQZ-LEWJYISDSA-N 470.574 2.829 30 10 JFEE CN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1618179173 GVHRJBGASZRVRC-SFHVURJKSA-N 470.624 2.839 30 10 JFEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)CC2)c(F)c1 1635048652 GFNXMKPQYDLSIQ-MRXNPFEDSA-N 455.456 2.862 30 10 JFEE C=C(C)C[C@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1636700824 XKVIEBOAZXBQNY-MRXNPFEDSA-N 459.499 2.937 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(-c4cnco4)c3)CC2)cc1 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C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](OCC=C)C2)cc1 1690679889 BXARAZXPXNSQQF-PZJWPPBQSA-N 458.584 2.575 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 1690719011 FHPKQYIFYHJLTE-UHFFFAOYSA-N 496.033 2.513 30 10 JFEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1694209964 FZMUJGWMPLJSHW-HXUWFJFHSA-N 475.601 2.576 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1705482175 UDFNXTUMIKNIDC-PMACEKPBSA-N 454.619 2.694 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21 1705496032 YLUMDHNGBZHNMB-JCWFFFCVSA-N 481.597 2.878 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1705543287 BFJXBSZBRWGWSY-QGZVFWFLSA-N 452.342 2.529 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1705586960 CUHKUKRUSFIVAG-IBGZPJMESA-N 489.642 2.780 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ncccc2N(C)C)CC1 1705635482 ZUZYDDZZIVNZOM-UHFFFAOYSA-N 480.414 2.972 30 10 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2.962 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@H]21 1508142256 RPLHYEICXBKVNV-OTWHNJEPSA-N 479.647 2.982 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)ccc1F 1518043294 ZNPZBWHRFNGYAD-UHFFFAOYSA-N 454.487 2.591 30 10 JFEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1518547252 DCMOAZTWLRNEMM-HXUWFJFHSA-N 466.567 2.672 30 10 JFEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1522315815 DBCKYPPEYGSXMR-OALUTQOASA-N 458.584 2.912 30 10 JFEE N#Cc1cc(Br)ccc1C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1537807215 HRHVNNLYCRZJTQ-HXUWFJFHSA-N 453.340 2.884 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1539211890 PXJYVXBCLAPAPE-CYFREDJKSA-N 474.627 2.768 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1539213145 WLRDOOWWCAMXMP-QGZVFWFLSA-N 476.574 2.871 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 1539220209 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455.378 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1540909140 ZKPHWPITMBQPPK-LJQANCHMSA-N 490.626 2.598 30 10 JFEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540913952 YLWORPGVBGGQDQ-UHFFFAOYSA-N 487.655 2.522 30 10 JFEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1540920228 RSOCFGAMYKRNAL-HSZRJFAPSA-N 488.589 2.730 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 1584411812 FPNBDUPRNISTFS-LBPRGKRZSA-N 458.544 2.931 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1588029307 FYAPMXDSQDWESN-HKUYNNGSSA-N 460.600 2.874 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588049260 DBQPSHGVINQSPH-MOPGFXCFSA-N 468.627 2.783 30 10 JFEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588053725 HSLUORJTAMRDBC-CEWLAPEOSA-N 472.611 2.611 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1588189014 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459.471 2.936 30 10 JFEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1)C(C)C 1665701525 MSAYTTSMVJVPDR-JOCHJYFZSA-N 456.635 2.901 30 10 JFEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C(=O)OCC 1671198705 FJWNAMCARAVJCD-ZDUSSCGKSA-N 452.298 2.551 30 10 JFEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)[C@@H]1CCCO1 1671889446 GTPHCIZHXFPEBE-GOTSBHOMSA-N 459.612 2.931 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 1673819919 PNRSGPMNGWFMEA-HXUWFJFHSA-N 453.587 2.661 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689991667 AZORUFWUNIUMQR-PKTZIBPZSA-N 471.671 2.780 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1689992759 OKWDTAZNANGBFZ-HXUWFJFHSA-N 497.646 2.669 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1689996627 KYTQETGHFOMOPR-IBGZPJMESA-N 472.611 2.929 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1690006002 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2.560 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(OCCOC)CC1 1705896390 KZQAKCCDRJMIAJ-UHFFFAOYSA-N 478.391 2.642 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1705897109 GIXXAIMHVNIADR-GOSISDBHSA-N 484.576 2.841 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1705939701 KNEBFVSVQXYRFY-UHFFFAOYSA-N 461.661 2.833 30 10 JFEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C)S(C)(=O)=O 1706081828 HKRTVXJAVPIGHW-KKUWSCMFSA-N 465.645 2.622 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCCC2)n1CCNC(=O)OC(C)(C)C 1708152662 GTTPJKKDJMBLOV-QGZVFWFLSA-N 481.605 2.837 30 10 JFEE CN(C(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1710966368 BBEIZNWGKZGZQZ-QFIPXVFZSA-N 450.587 2.973 30 10 JFEE N#CCC1CCN(c2nnc(-c3cnccn3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1712885219 CZMBCNVHBZZBFJ-UHFFFAOYSA-N 458.452 2.786 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1722360027 RCDYFLADNICIEY-LJQANCHMSA-N 454.552 2.911 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365044 JZXQNCLTXGNOAQ-HXUWFJFHSA-N 475.684 2.822 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722371485 JFANVOMBVKTCFX-NHCUHLMSSA-N 458.628 2.751 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722455470 UHEJESROTWTLJD-NRFANRHFSA-N 468.583 2.640 30 10 JFEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722601216 SQKLUNVYTKBBEF-INIZCTEOSA-N 467.665 2.645 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722699209 SETOZNASJXFBDK-XUVXKRRUSA-N 455.559 2.733 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(=O)N(CC)CC)cc2)C1 1722712240 NUUTZBZXEDHNFL-QFIPXVFZSA-N 463.586 2.990 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1722714498 NTGCHDILKYZMGM-QGZVFWFLSA-N 451.618 2.675 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722725454 LXAWIXXGYVRIRO-SFHVURJKSA-N 472.640 2.886 30 10 JFEE Cc1ccccc1-c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)C(C)C 1724579461 CCAIWVMCQFLVLV-UHFFFAOYSA-N 461.618 2.834 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CC1([S@@](C)=O)CC1 1730750070 HYHRYZFVMXREBU-JGCGQSQUSA-N 452.584 2.719 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1740624855 MBCVLLDDTDHXDE-QFIPXVFZSA-N 455.628 2.752 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1740628487 QLJUNVYGFYZDCV-IBGZPJMESA-N 479.562 2.614 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740629839 BTITURVVABHTPN-IBGZPJMESA-N 492.555 2.885 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCNC(=O)OC(C)(C)C 1740637631 HFCNYFOLVVGZAW-UHFFFAOYSA-N 492.628 2.830 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc(CC)s1 1740645806 LRTCDODDTUFHFR-UHFFFAOYSA-N 467.986 2.787 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740663338 GXSWUKMDEMGCTB-OZXSUGGESA-N 467.614 2.681 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCOC)CC1 1740694781 UEJJJOPQRKYJDP-NRFANRHFSA-N 474.650 2.965 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740702854 YLSOSSLBYZGFCF-IBGZPJMESA-N 458.651 2.647 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)CC)CC1 1740703158 HXFCMNCWBAOIMR-QFIPXVFZSA-N 474.403 2.834 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1cccs1 1740717319 PADATIRRKVLYIX-IAGOWNOFSA-N 450.655 2.820 30 10 JFEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ncnn1CC(F)F 1740717536 VGNFLIZAOULIQQ-KRWDZBQOSA-N 475.525 2.650 30 10 JFEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740870455 OLGJMRFYACIABG-QHCPKHFHSA-N 457.531 2.968 30 10 JFEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740880769 MTBDBRRDVDLMES-PXNSSMCTSA-N 457.535 2.598 30 10 JFEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740883623 ARCKAGUGDPEVHT-UHFFFAOYSA-N 450.543 2.865 30 10 JFEE 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491.633 2.715 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCNc1nccc(C(F)(F)F)n1 1301970446 FPTFJSFFAMLYQZ-CYBMUJFWSA-N 493.519 2.786 30 10 JFEE N#Cc1ccc(Oc2ccc(NC(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)cc2)cc1 1310212181 AHOSXJUVRQXKTF-NRFANRHFSA-N 458.540 2.961 30 10 JFEE C#CCN(C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CCS(=O)(=O)C1 1312520950 LLAKYGZZAWGEJP-OALUTQOASA-N 453.402 2.992 30 10 JFEE CCS(=O)(=O)NCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1314561247 BBGOHVWYHHRXNT-JOCHJYFZSA-N 460.604 2.543 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1314622694 BDWAMYAKPOAEQF-QFIPXVFZSA-N 495.628 2.985 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1358915234 WXUMUEOHEMIFBS-JOCHJYFZSA-N 463.630 2.590 30 10 JFEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358917496 SCWYHPUTQZJRDR-UHFFFAOYSA-N 464.570 2.744 30 10 JFEE C#CCCCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1358917779 ASOCSEWQRMMYSM-XMMPIXPASA-N 455.534 2.726 30 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C=CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1359282872 VOCROLZPVJYOTO-FSSWDIPSSA-N 498.628 2.927 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 1359291530 USOWGJFFCOXLHU-UHFFFAOYSA-N 484.358 2.627 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359299282 AYBKERIPPGEEAY-QZTJIDSGSA-N 476.622 2.556 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1359312116 NZIXAXCYHXLESH-MOPGFXCFSA-N 476.622 2.845 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1359319902 ICNLOOTXTXDVHL-RTWAWAEBSA-N 460.600 2.546 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCN(C(C)C)CC2)C1 1359322943 FKPFNPLVGCCPSV-HXUWFJFHSA-N 460.648 2.650 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CCCO1 1360670146 FMOQLSOHIPTDHD-UZUQRXQVSA-N 470.599 2.623 30 10 JFEE C[C@H]1Oc2ccc(C(=O)C3CCN(S(=O)(=O)c4cccc(F)c4C#N)CC3)cc2NC1=O 1463016089 DBGOLTMXEZMVSK-CYBMUJFWSA-N 457.483 2.700 30 10 JFEE CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1500078172 FTSWMMNYYOZYSR-RXVVDRJESA-N 461.574 2.630 30 10 JFEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1501766769 ABGFWWNVSVWFQP-FQRUVTKNSA-N 496.612 2.762 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507572102 XPCXDYRHQGGZGP-CEXWTWQISA-N 475.590 2.514 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1507628974 JFYXMWBIZVDWDW-RBUKOAKNSA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507630367 XQMJHKISIXGNJJ-LJQANCHMSA-N 466.592 2.533 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1507636101 YUJKEDKBGRTUMG-QGZVFWFLSA-N 452.527 2.550 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cc(C)on1 1507712100 CJUGMVLSIQTJLJ-GOSISDBHSA-N 458.563 2.823 30 10 JFEE 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COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOCC2(C)C)cc(OC)c1OC 1554732871 DTLPVYDHRLOBIN-KRWDZBQOSA-N 472.590 2.820 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)n1 1584412013 JOLANRJZXXQDLG-LBPRGKRZSA-N 458.544 2.931 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1587765460 GXGIDWGJDCZZTC-RBUKOAKNSA-N 469.677 2.527 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588040423 MSEUNLGSZKOITO-IBGZPJMESA-N 490.626 2.794 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1588069448 OHKKNJPUUXFFBD-NHCUHLMSSA-N 458.653 2.833 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1588088999 FILPOAHPZNWCOI-AFMDSPMNSA-N 464.566 2.772 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccco1)N1CCCC1 1588098976 FHFAZACVVCPBQC-QFIPXVFZSA-N 477.590 2.852 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cc([C@H]2CCOC2)cn1 1588170961 PLFCXPVAUVHXQB-JAXLGGSGSA-N 493.612 2.522 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C)n(C)c1=O 1588604673 ODAJSMQRQBTQIT-UHFFFAOYSA-N 488.361 2.988 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1 1589492509 BVWBZSSDMBGAGP-ZSOFBXJNSA-N 463.380 2.719 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CC1 1589663085 HCYGSZPBKUBDHV-NRFANRHFSA-N 489.642 2.754 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1593605560 YTRQPGXMJDJVAL-CVDCTZTESA-N 452.603 2.909 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1593800487 PHXRZZIIKPSZNQ-KRWDZBQOSA-N 480.057 2.518 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(C)C)cc2)CC1 1594097551 UTSAARRWFCORBJ-NRFANRHFSA-N 475.615 2.603 30 10 JFEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594652138 YSXPZJOMROZPSX-QFIPXVFZSA-N 477.569 2.852 30 10 JFEE C=CCn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1595447029 BUXUDZVUSYGAHQ-WIYYLYMNSA-N 456.566 2.561 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CC)C1 1595766579 UJFYTLWNDZFXKS-QGZVFWFLSA-N 469.405 2.924 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1595784536 INNWJLSKRVZFQC-FQEVSTJZSA-N 459.547 2.601 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595890225 MPXNIVFHZWZRMF-UHFFFAOYSA-N 474.606 2.501 30 10 JFEE C=CCSCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1595905695 OINZVVLABNDEAM-XMSQKQJNSA-N 452.621 2.624 30 10 JFEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1602907466 CIUMQPFAXPJEFZ-DHIUTWEWSA-N 479.629 2.794 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1611750253 HWYSBEALQZOUPR-KXBFYZLASA-N 479.990 2.625 30 10 JFEE C#CCN(C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1630831031 YEQPNKUGPRXCHM-MRXNPFEDSA-N 457.499 2.632 30 10 JFEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1645390914 FRCGQDYRRIYLEJ-IBGZPJMESA-N 456.593 2.882 30 10 JFEE CC(C)(C)O[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1n1cccn1 1662023676 HHQBYUBFLZECRN-GVDBMIGSSA-N 453.362 2.993 30 10 JFEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(OC)c(OC)cc1Br)C(=O)OCC 1665496530 DIJOFDWFHZUIGM-LLVKDONJSA-N 456.742 2.819 30 10 JFEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1c1ccc(Cl)cc1 1681226279 DQYNAYPJABKJFQ-GDAAHCPNSA-N 476.961 2.997 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1689996636 LEOHTTAJFSOSNY-ZWKOTPCHSA-N 466.991 2.562 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1690150449 HYUDSGAHBPHJOC-JOCHJYFZSA-N 492.668 2.770 30 10 JFEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690316677 JGXIAVZUNNAQEQ-RCZVLFRGSA-N 480.657 2.645 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690337181 GPXOSHNCNLHYJB-MRXNPFEDSA-N 486.964 2.637 30 10 JFEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1690351107 IFAFGPMWVRSYPM-UHFFFAOYSA-N 489.068 2.711 30 10 JFEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690473612 AXFCNSQANKKHRI-KRWDZBQOSA-N 460.485 2.985 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690675887 IOULVHBPDXITOL-IBGZPJMESA-N 468.602 2.648 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCNC(=O)c2cccc(O)c2)C1 1690697540 XJQZUDWFBMWILN-NRFANRHFSA-N 462.554 2.956 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1690715483 MMTRRIVMHOHADF-UXHICEINSA-N 486.598 2.690 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnn2)C1 1691224190 FKCCNLMHWSBDDS-HTAPYJJXSA-N 473.557 2.516 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705632745 ANTQNGIWEAHAOB-URXFXBBRSA-N 484.620 2.669 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCCCC2)CC1 1705646360 XIGPVFAHMLPKSX-UHFFFAOYSA-N 464.614 2.796 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(CN(C)C)c2)CC1 1705648465 SXQOHMBSVYYGFM-QHCPKHFHSA-N 464.614 2.595 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705666143 PWZZDBXXJKTFKZ-IBGZPJMESA-N 457.575 2.954 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705720254 IZJZYSKZFXRYML-GOSISDBHSA-N 451.575 2.976 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705728679 SFBIQEWFJUKZFL-ICSRJNTNSA-N 487.649 2.715 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)CC1 1705785805 XGALGWPBYPPOAV-IYBDPMFKSA-N 468.549 2.833 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705826237 SBUWDWLVYFPOBG-MRXNPFEDSA-N 499.431 2.932 30 10 JFEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1Br 1705907745 WBEZPXPTRCYIOU-UHFFFAOYSA-N 472.391 2.841 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2c(C)cccc2C)C1 1705914374 MRRMRAWAGPOTDI-LJQANCHMSA-N 452.559 2.551 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1705932587 WAONGDVPQYHOTI-IBGZPJMESA-N 476.990 2.511 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1705933605 MRECCGSLOLEUMV-QHCPKHFHSA-N 456.568 2.854 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1708621046 CTIKIHGYDZTYLA-WSZYKNRRSA-N 466.586 2.894 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1722279489 HJKZGTGZNOWZIV-CABCVRRESA-N 451.390 2.990 30 10 JFEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNc1nccc(C(F)(F)F)n1 1722354755 XYMJSXOGKDDNRO-UHFFFAOYSA-N 455.448 2.507 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722360868 WTFJBWHSXYAWLZ-CRAIPNDOSA-N 451.017 2.978 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1722398431 YMYHEHMUPPDMCO-IPJJNNNSSA-N 450.612 2.837 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1722411832 QYUYZKDESBWBOJ-APWZRJJASA-N 450.008 2.596 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1722439455 CKQAHROEGDIJBR-GOSISDBHSA-N 466.611 2.865 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2c(C)noc2C)CC1 1722443534 VFGSWSOWYFJFBB-UHFFFAOYSA-N 462.554 2.767 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCCC[C@@H]2C)CC1 1722449132 NEILAIHMFNMGJK-QFIPXVFZSA-N 477.657 2.884 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722472751 SGCSBZSZNJEDHA-XMMPIXPASA-N 464.595 2.555 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1722492492 SWBBIZRISRFEFJ-PWHSHALESA-N 487.576 2.833 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1722504013 MOPSZNJVGKPGAI-AUSIDOKSSA-N 468.558 2.969 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722543471 JGIWCCFVFREPFU-IBGZPJMESA-N 452.047 2.554 30 10 JFEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722557142 UJPQLVMRXZZADN-VQIMIIECSA-N 482.990 2.573 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722607655 GPBRDGDHNWEREO-UHFFFAOYSA-N 452.563 2.618 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CC2)C(=O)C1 1722628258 VDQHTDDTICHTBR-LJQANCHMSA-N 488.633 2.796 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1722664584 CQRYZTJIDKCJJT-NRFANRHFSA-N 464.618 2.540 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722664747 GVCDTQORRSNUDJ-OAQYLSRUSA-N 464.570 2.858 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722685475 HEMSPDYXNUIARU-UHFFFAOYSA-N 481.601 2.936 30 10 JFEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1 1722705267 WITMZYGKTARXKH-SZPZYZBQSA-N 452.559 2.603 30 10 JFEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1722706094 NETYMNNVCMQVAI-UHFFFAOYSA-N 470.599 2.652 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722724429 WRRJZTZLRMEUFM-VGOFRKELSA-N 481.018 2.974 30 10 JFEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CCN1C(=O)OC(C)(C)C 1726669746 DQAYTUKKMNDOGV-OAHLLOKOSA-N 489.527 2.644 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1[C@@H]1C[C@H]1C(C)C 1727224783 IAILLWJLMSTPCQ-IMFGXOCKSA-N 465.606 2.790 30 10 JFEE CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1727250213 FNUODADPNRNSOE-HXUWFJFHSA-N 477.569 2.981 30 10 JFEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1730420424 HMBNOPJPAVVSSO-NZQKXSOJSA-N 496.612 2.619 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1740543271 LMWZSBCXBJPNFG-PKOBYXMFSA-N 450.543 2.821 30 10 JFEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1740579071 KWQAUNGFKHHBLZ-SFHVURJKSA-N 454.575 2.928 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1740620232 CIVMSMKPEHSOPE-VQTJNVASSA-N 465.579 2.743 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740622849 JSEDOJQWOPLAHW-KRWDZBQOSA-N 490.511 2.623 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740678950 LKKPPGFBMLNQSK-SFTDATJTSA-N 482.604 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncccc2C)CC1 1740703652 ZZOHNCKCXXRMMX-UHFFFAOYSA-N 482.386 2.753 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2nnc(C)s2)CC1 1740709422 GGDLBTMFOHUJIK-TZIWHRDSSA-N 499.685 2.955 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1740835305 DMZVTOMMTBQXDO-NVQXNPDNSA-N 474.694 2.995 30 10 JFEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740877814 KSWWCAPQVZCYQH-UHFFFAOYSA-N 466.630 2.978 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1740922576 MAXFNEODJIBSFH-UTKZUKDTSA-N 466.629 2.619 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)C(C)C 1740925308 BGYZZWKYYVLUDN-XAISMOLKSA-N 459.635 2.865 30 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2.909 30 10 JFEE Cn1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1748017152 GWUNCPQOGCWDPQ-JOCHJYFZSA-N 458.542 2.616 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748820715 HYZOYTMMWSZRHT-UXHICEINSA-N 469.611 2.792 30 10 JFEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748823866 DGYQOPXPDCHTTH-RTBURBONSA-N 472.611 2.929 30 10 JFEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCC[C@H](C)C1 1748856278 WXXNKYCPXRWPQT-IBGZPJMESA-N 452.628 2.853 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H](C(F)F)N1CCOCC1 1748891610 BECFDDLJDSJKAE-SIKLNZKXSA-N 485.535 2.610 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1748940372 ITLSSVLVUAZMRB-LJQANCHMSA-N 490.649 2.789 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cscc1C 1748949947 CMUYAGZFZQLPSS-UHFFFAOYSA-N 473.624 2.700 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCCSC2)n1 1748970607 LKURCKSJPDPWBF-LJQANCHMSA-N 451.600 2.966 30 10 JFEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749039867 DJJGTUXXDFYTGE-URXFXBBRSA-N 480.682 2.533 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1749140157 MXHXSKKASSMAAO-OFVILXPXSA-N 483.613 2.696 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1749158581 IXEXWMMZCSDPLZ-QGZVFWFLSA-N 463.570 2.857 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749414936 KGYLXHRSQIATIZ-AWEZNQCLSA-N 471.425 2.768 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1749670781 VNQYMSGDEBRUIS-AZUAARDMSA-N 498.632 2.770 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749714107 FQIOSJNCASREGM-SFHVURJKSA-N 465.645 2.773 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC(=O)N(C)C)C1 1749718622 GSONNPCWZJWHPC-SFHVURJKSA-N 478.391 2.879 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOCC1 1749725757 YNGVKKNRXQKOLP-UHFFFAOYSA-N 458.540 2.555 30 10 JFEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1750127350 FJTBPABINZKITM-GGAORHGYSA-N 482.629 2.730 30 10 JFEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)C[C@@H](C)O1 1750354533 CUBMQGPKBBHTFE-MHXAIHSWSA-N 452.603 2.913 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)CC1CC1 1760213238 VUOSIMABOONGDD-UHFFFAOYSA-N 475.412 2.995 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1760264587 UGNYWKLPBYKCDJ-XMMPIXPASA-N 480.657 2.730 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760301970 PDPOJZYMGUJGTJ-GFCCVEGCSA-N 493.225 2.578 30 10 JFEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1760305404 DHXIVXQIBPMSDR-UHFFFAOYSA-N 472.391 2.545 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CC1 1760329633 GNZNIDFHKRNRRK-HKBQPEDESA-N 464.661 2.860 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760334382 JRCVJKCPXLHFAB-ZJOUEHCJSA-N 455.607 2.648 30 10 JFEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760364788 BZVLLSSQHFJMTP-UHFFFAOYSA-N 466.999 2.656 30 10 JFEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760376510 SHAYBFSQHWLSSI-HRAATJIYSA-N 460.985 2.749 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(F)cccc2Cl)CC1 1760402528 MIHBAWAUSMJZOR-LJQANCHMSA-N 483.997 2.854 30 10 JFEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760404952 KQRVZRQHVCOCJX-HXUWFJFHSA-N 459.616 2.849 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1760449482 LBIRDKSVRXWTPZ-UHFFFAOYSA-N 463.542 2.787 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cc(Cl)ccn1 1760517339 KEHSQIDSHIBAJZ-UHFFFAOYSA-N 456.934 2.949 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1760525646 MGRQZEPFOUQCFK-GOSISDBHSA-N 474.631 2.974 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](CC)C2)cc1 1760529561 AXQGCIWMHPRJER-VQIMIIECSA-N 465.645 2.833 30 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30 10 JFEE CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCO)ccc1O 1862573361 APHLGEDNOFRCEF-OAQYLSRUSA-N 457.479 2.769 30 10 JFEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862609085 CWCYSTJHZNBALT-OAQYLSRUSA-N 467.478 2.896 30 10 JFEE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1C[C@@H](C)O[C@H](C)C1 1868782140 DOAIZVNNMUMRAE-IZBJGVDFSA-N 478.684 2.898 30 10 JFEE CSCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(N(C)C)CC1 1868782264 FZCMPEROBIIVAZ-RTWAWAEBSA-N 491.727 2.815 30 10 JFEE CCCCCCCCC(=O)Nc1nc(N2CCC(CO)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869980382 VQFNUSBUYVXRHC-GOSISDBHSA-N 455.625 2.536 30 10 JFEE N#Cc1nnn(Cc2cc(Cl)cc3c2OCOC3)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1870108841 ANURTFVPWVOFAC-KRWDZBQOSA-N 492.923 2.705 30 10 JFEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl 1870149896 RXNJOXPOKACMMW-HNNXBMFYSA-N 450.886 2.788 30 10 JFEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870560696 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COC(=O)[C@H]1C[C@@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OCc1ccccc1 2232303364 GIDDEGXCIXOJKE-UYAOXDASSA-N 482.342 2.712 30 10 JFEE C=C(CS(=O)(=O)N(C)[C@H]1CCN(C(=O)OCc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2243416913 OHKHYPNSFJBMDR-IBGZPJMESA-N 464.393 2.847 30 10 JFEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255812329 NJSUVDXQUZWBHK-UONOGXRCSA-N 451.398 2.818 30 10 JFEE C[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2255838450 GOIONYXIIRKSPG-DZGCQCFKSA-N 451.398 2.818 30 10 JFEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)OC1(C)C 2255955582 QFGQCLAUNLNASE-GOSISDBHSA-N 462.446 2.990 30 10 JFEE CCOC1(COc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CN(C(=O)OC(C)(C)C)C1 2265978823 CGMXPAOHIAVKTL-UHFFFAOYSA-N 452.332 2.925 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 2267126618 CBZTZPLBQULXOE-RUZDIDTESA-N 482.390 2.733 30 10 JFEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267135422 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457.531 2.659 30 10 JFEE N#Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CCC=CO2)cc1 1316533684 ADPYHDOVNYRWMG-NRFANRHFSA-N 450.543 2.903 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1358885354 IOCGXVYHADPOOQ-AZUAARDMSA-N 475.597 2.952 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN2CC)c1 1358902854 BFLMTHYKOPLMPJ-QHCPKHFHSA-N 457.582 2.804 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1358955381 KVPCKLLUQOPUOM-OAQYLSRUSA-N 485.654 2.683 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358959371 HPFREQKMUOOZNG-QFIPXVFZSA-N 496.637 2.779 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1358964072 SRIXKEZHMRGQHM-BSRJHKFKSA-N 492.592 2.835 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nc(C)c(C)s1 1359002911 RNIYCBSPFVAYOY-UHFFFAOYSA-N 472.640 2.971 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1c(C)cccc1C 1359023263 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CYCJDAHPAURFKC-UHFFFAOYSA-N 455.578 2.739 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 1507719678 POMPLAGLNXAYNR-QFIPXVFZSA-N 479.503 2.632 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2oc(CC)nc2C)CC1 1507740935 QYTONCRHBIXQLS-UHFFFAOYSA-N 480.544 2.869 30 10 JFEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1 1507743952 GGKJWROPCNCXKQ-LJQANCHMSA-N 466.380 2.915 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC 1507760834 CFHUWSVHLOOCPE-MFSJNOQSSA-N 471.989 2.905 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccs1 1507798475 OCNXEDTTYFPVRD-LMMKCTJWSA-N 450.630 2.902 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1507803313 GLONWDFWFYTBQS-HFMPRLQTSA-N 453.587 2.964 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)CC)C1 1507810061 VXNRUCMHTILKTR-SPEDKVCISA-N 486.642 2.746 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507910303 NDSFWGYYHPKECB-GOSISDBHSA-N 491.600 2.925 30 10 JFEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507959579 RDNOCHZNIJSOOO-UHFFFAOYSA-N 462.558 2.813 30 10 JFEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C)C1CC1 1507992512 DZKJTJWDFQAOKI-FQEVSTJZSA-N 490.649 2.852 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 1508072867 SXZQRODWFAGNMY-UHFFFAOYSA-N 474.993 2.558 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1508091653 WLLVMWAIVBOGNL-ROUUACIJSA-N 476.622 2.699 30 10 JFEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098733 REVSVIIZHGWPTC-DVECYGJZSA-N 457.550 2.754 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1508117335 TVHXQLYWQNMLLV-YKSBVNFPSA-N 470.574 2.502 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OCC)c2ccccc2)C1 1508122209 CURXYTYJSKOFMV-NJYVYQBISA-N 460.600 2.739 30 10 JFEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1508168471 VYDWOTOFDVMDKN-UHFFFAOYSA-N 498.682 2.922 30 10 JFEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C1 1515025297 DFLLNMFKQDFEOL-OTASCSKISA-N 498.653 2.773 30 10 JFEE CN1CCN(CCn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1517417555 FMQRTQHOJMBRKG-OAHLLOKOSA-N 494.463 2.524 30 10 JFEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1518100064 DWAJIDLOBIJHAZ-QAPCUYQASA-N 452.481 2.813 30 10 JFEE COc1ccc(C[C@H](C)Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC 1518184245 AIXHKIDLQODOBI-ROUUACIJSA-N 476.585 2.859 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)ncc2Br)n1 1531364055 QESINQULLRUWJG-UHFFFAOYSA-N 456.138 2.725 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539059605 RZPCWWJCLBROHK-SJLPKXTDSA-N 491.386 2.880 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1539097217 GCIAFJHJUJHFBH-UHFFFAOYSA-N 467.570 2.879 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@](C)(O)CCOC 1539246731 WMFUUMGVUGJJEM-NRFANRHFSA-N 461.360 2.577 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(F)(F)F)n1 1539423704 CZPFMXIJIQAELX-UHFFFAOYSA-N 463.420 2.898 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539462786 YVTUROZNQKNZPI-FCHUYYIVSA-N 466.630 2.741 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1539476833 FAAAZUNRCRPJIM-SFTDATJTSA-N 477.657 2.982 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1539477832 ZWPLZSCWQZHILE-KRWDZBQOSA-N 459.545 2.860 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1539498292 VAXCNYBUKMPULH-QFBILLFUSA-N 493.475 2.569 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1539723002 VWKOVDVLXVPWMI-OAQYLSRUSA-N 455.559 2.693 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ncc3ccccc32)CC1 1539776152 WLWSFBHFPOBAQG-OAHLLOKOSA-N 463.995 2.832 30 10 JFEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539955060 NUECLEHGIRRHPQ-UHFFFAOYSA-N 463.604 2.790 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540134601 WCPPCIXVWGVJHE-SFHVURJKSA-N 472.590 2.897 30 10 JFEE C=CCNC(=O)Nc1ccc(NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)cc1 1540594592 WBPNTEVPLZIETN-UHFFFAOYSA-N 455.540 2.794 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1540874659 NTFRKIFTVQOZQM-FQEVSTJZSA-N 468.602 2.696 30 10 JFEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOCC(C)C)C[C@@H]2C)CC1 1541001099 KAPOLLYUBUQUPB-SQJMNOBHSA-N 493.656 2.868 30 10 JFEE Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1542125630 BBCXVVHKMKTDJP-GOSISDBHSA-N 465.945 2.983 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)s1 1545871000 CJGVFBAITIFPOW-UHFFFAOYSA-N 457.980 2.896 30 10 JFEE COc1ccc([C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)c2ccc(C(F)(F)F)cc2)cc1 1561413525 APQCMBGYJMQDFR-RBUKOAKNSA-N 455.458 2.862 30 10 JFEE C=CCN1CC[C@@H](N(C)C(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C1=O 1568184418 RNPBIXVROWNWNC-JOCHJYFZSA-N 455.580 2.826 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 1584747020 BOKGXINQDOHUTF-UHFFFAOYSA-N 453.520 2.919 30 10 JFEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1587738789 IFUDDLUDXSDTSN-QFIPXVFZSA-N 494.640 2.899 30 10 JFEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1587765132 AZMDBDTZNMNXOH-OAQYLSRUSA-N 471.627 2.795 30 10 JFEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1587813704 UASMUZMTHMLBPR-KRWDZBQOSA-N 485.430 2.910 30 10 JFEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1587905259 ZGMDLJGGQCPDJP-QFIPXVFZSA-N 452.603 2.648 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1588040770 QHQUQZRVWJBKJD-LJQANCHMSA-N 455.971 2.977 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588064678 MWGPYWLNDSEMPD-FPOVZHCZSA-N 475.684 2.678 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N(C)C1CC1 1588638046 NPARPXZQNVDBLS-UXHICEINSA-N 474.650 2.961 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588955478 YLROGDJMZVONFC-NQIIRXRSSA-N 484.645 2.842 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCN(CC)C2)CC1 1588969238 YSSMJPIMDPCOAT-CEMLEFRQSA-N 470.662 2.504 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1589567960 HENLERUAPSZXGP-FDDCHVKYSA-N 490.004 2.787 30 10 JFEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589701330 YLJPTHZZXLDTPQ-HXUWFJFHSA-N 452.559 2.551 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1593636101 GIICRAABKGITEA-NHCUHLMSSA-N 490.649 2.711 30 10 JFEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1593666531 FBUZRMQWOXEQFZ-UHFFFAOYSA-N 486.374 2.782 30 10 JFEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1594661145 REYYWMJULOHZGE-NCXUSEDFSA-N 495.646 2.612 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595831116 LOGUHOBAQSAOKX-HDICACEKSA-N 492.646 2.780 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595837822 FXDQAPDPISAXFD-HSZRJFAPSA-N 454.600 2.925 30 10 JFEE CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1598194830 BTKDUTNJSYKRLE-RUZDIDTESA-N 466.586 2.841 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1611302238 FIMXOVOCYPCFMM-IRXDYDNUSA-N 480.635 2.708 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(S(=O)(=O)N(C)C)cc3)nnc12 1613157605 PKUGAQIXCIIRSK-UHFFFAOYSA-N 455.565 2.773 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1613428806 CLXCQVLKCJUXRF-SFHVURJKSA-N 476.560 2.982 30 10 JFEE CCN(CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1615623602 BUJJWDPYVMSCIM-UHFFFAOYSA-N 496.641 2.932 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCc2ccccc2C1 1619912509 FKMPIWGQANBWCH-JOCHJYFZSA-N 452.603 2.985 30 10 JFEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C(=O)OCC 1622506493 OTOSQKDONZRFCF-CYBMUJFWSA-N 452.298 2.551 30 10 JFEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(-c2nc[nH]n2)ccc1F 1626413843 BNLVUDATDFBHOB-INIZCTEOSA-N 456.503 2.847 30 10 JFEE C=CC[C@@]1(C(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1627828017 KKGFMEYJQOEONL-BGOLNKOXSA-N 456.605 2.635 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCO[C@H](CNC(=O)OC(C)(C)C)C3)n[nH]2)c1C 1638648425 OSYFUTUICQEBQE-QGZVFWFLSA-N 458.563 2.832 30 10 JFEE C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(S(N)(=O)=O)ccc1C 1643640474 HZUYJNRWGTURSJ-UHFFFAOYSA-N 457.581 2.742 30 10 JFEE C#CCN1CCN(C(=O)CN[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1 1653074976 STDQURSBNRNWOV-QHCPKHFHSA-N 450.583 2.773 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689981994 FRZZVESAGLMOOS-PXNSSMCTSA-N 455.540 2.836 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1689982975 YCSFIIXMNNFVAK-KRWDZBQOSA-N 478.640 2.731 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689993458 DWPKYGZKBJPPLC-HXUWFJFHSA-N 491.658 2.504 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1689993909 NJLJTJSSNPJKPV-NRFANRHFSA-N 456.612 2.940 30 10 JFEE C#CCN(CC)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690070768 GRMNUOCAIZESQK-SLFFLAALSA-N 452.559 2.824 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1690150418 GUYZNQNMFUSDTD-UHFFFAOYSA-N 454.575 2.548 30 10 JFEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690177154 LJWNCQXQLWTFPS-OAQYLSRUSA-N 465.044 2.904 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1690203299 XOQSQPFPKVRMOG-RUZDIDTESA-N 494.621 2.658 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNS(=O)(=O)CC)CC1 1690404646 MCJZLDQRZLIZOK-UHFFFAOYSA-N 453.996 2.949 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1690485675 ZRGDFLKRGNFPOU-IBGZPJMESA-N 484.022 2.876 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1690563385 PRGPFHSKRVJTRL-INIZCTEOSA-N 471.612 2.838 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1690666047 XSHLTAGOWKKWPS-UHFFFAOYSA-N 479.972 2.824 30 10 JFEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1690683691 RQCDDHQDNVQEAX-UNMCSNQZSA-N 466.586 2.993 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@@H]1C 1690717597 KNUOWBGLUQEKRV-KBPBESRZSA-N 488.477 2.977 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCCC2)CC1 1690723312 NJSCZTPAIOAHQO-UHFFFAOYSA-N 458.632 2.704 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)C1 1690933110 HZDHHCRVINSUPB-GBXCKJPGSA-N 467.643 2.607 30 10 JFEE COc1ccc(C(C)(C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)cc1OC 1697324184 ASDLWSRETQTKRE-HXUWFJFHSA-N 479.585 2.864 30 10 JFEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(Cl)cc2F)C1 1698312347 FRCQQIITWYGBNV-IBGZPJMESA-N 496.996 2.582 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1705492527 RVOGVODIIJWLJB-WOJBJXKFSA-N 474.650 2.961 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccncc2Cl)c1 1705507217 VHYCGQQPHBCZQZ-SFHVURJKSA-N 450.930 2.935 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705559750 FRZVMKZJXATZLD-IBGZPJMESA-N 484.601 2.884 30 10 JFEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1705564684 CENYBFWKSMZUIR-WMZOPIPTSA-N 466.558 2.521 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H]2CCCCO2)CC1 1705634440 VPUPDQCKGGKKEI-SFHVURJKSA-N 461.408 2.761 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2c(CC)nn(C)c2OC)CC1 1705637170 LZSSTNIWIKIYCG-UHFFFAOYSA-N 498.429 2.816 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCc2c[nH]nc2C)CC1 1705638964 CMGCTYFOIQGTPZ-UHFFFAOYSA-N 496.660 2.812 30 10 JFEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1705656924 NJCKWQIOEKEFKW-UHFFFAOYSA-N 455.609 2.873 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)(F)F 1705669824 XUOHVURYLGNXGT-MRXNPFEDSA-N 459.270 2.706 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)C(C)C)CC1 1705693453 GSWYUEMUTPQAEL-TZIWHRDSSA-N 474.650 2.872 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1705693875 LPZDWGFBWHWIDQ-AZUAARDMSA-N 486.642 2.812 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705733477 UBAREZKFMNWVHD-SFHVURJKSA-N 463.579 2.681 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccccc2OC)CC1 1705781379 XSDQZQYUIAZALL-IAGOWNOFSA-N 463.604 2.767 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705791067 NAGLFXFLSOESFF-HXUWFJFHSA-N 468.577 2.862 30 10 JFEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705820392 KWKVBMXUYFRXFF-UHFFFAOYSA-N 470.599 2.784 30 10 JFEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705892288 STLQVXNRFQFVKP-NRFANRHFSA-N 452.603 2.875 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1705911781 QGACPFXDKHBFKG-UXHICEINSA-N 460.600 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCC(C)C)C1 1705936838 ZIFCUMJWNOUNSJ-WIYYLYMNSA-N 476.599 2.643 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](CC(C)C)C1 1705937382 RYZTZKNLRGOMAN-LJQANCHMSA-N 456.616 2.990 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705938902 MQWWDKDXMWVKEH-PZJWPPBQSA-N 486.690 2.686 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705942678 ACBZWZPOMPFRPN-UHFFFAOYSA-N 491.668 2.535 30 10 JFEE Cc1ccc(SCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCS(C)(=O)=O)cc1 1707567039 BOARWMAYLOOFEO-UHFFFAOYSA-N 497.650 2.517 30 10 JFEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1711456043 HSOJLGFKVZEFLR-UHFFFAOYSA-N 484.557 2.643 30 10 JFEE 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C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1N1CCCC1 1722619024 YDUMODNVKFYYNR-JOCHJYFZSA-N 488.658 2.814 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1 1722701454 QEWWVILFXZWNSE-UHFFFAOYSA-N 464.545 2.947 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 1722722569 PJPZCPXEGKSEDW-QPPBQGQZSA-N 468.627 2.947 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722743404 YBEMCYZEHPHGGC-UHFFFAOYSA-N 481.626 2.986 30 10 JFEE CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1722923848 BRCSIGYJICYGFZ-TZIWHRDSSA-N 487.626 2.805 30 10 JFEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC(C)(C)C1 1722948337 BISAPPXKPVNNDL-UHFFFAOYSA-N 466.634 2.571 30 10 JFEE Cn1cc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)CC2)cn1 1729573299 BIMQRXRIACPNKP-UHFFFAOYSA-N 472.475 2.613 30 10 JFEE CO[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1729881265 DAORBSHVDJLLAP-WZONZLPQSA-N 456.570 2.955 30 10 JFEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 1730558489 CBHYCNYGKBOVQP-IBGZPJMESA-N 475.615 2.805 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1740620110 NQBKEFYUAGTDEO-LEWJYISDSA-N 493.029 2.811 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740620839 YIOGZBPKSPPEPN-CYBMUJFWSA-N 487.445 2.557 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740627430 HIDMJZZIVZPCGL-DNRQZRRGSA-N 486.638 2.652 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740628653 SDSNDSCUCQIZSI-TUNNFDKTSA-N 472.611 2.607 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1OC 1740685073 AUNDOMHPXZJLKT-HXUWFJFHSA-N 485.585 2.729 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1740700504 BQNRMJTVNCMAGP-WOJBJXKFSA-N 458.607 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)c2ncc(C)s2)CC1 1740707262 WDMNWPBFMKQCSB-QGZVFWFLSA-N 463.611 2.798 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N2CCCC2=O)CC1 1740711221 JZUNVESYDKCPDR-UHFFFAOYSA-N 477.432 2.993 30 10 JFEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740741721 PYLLMWUPIJJCPI-UZLBHIALSA-N 490.450 2.571 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cc(C)no2)CC1 1740751103 HLBGABLAEFPIQJ-DENIHFKCSA-N 485.633 2.796 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1740773182 VJUVMIDUHDPSCL-UHFFFAOYSA-N 458.588 2.512 30 10 JFEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740784813 VRLHOIVHEOWMGX-OAQYLSRUSA-N 452.603 2.875 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740787917 LZQLHRMLUPKYNI-UYAOXDASSA-N 477.631 2.792 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740850672 OFAXRCFHBZGSEG-UHFFFAOYSA-N 495.632 2.799 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740954673 DMLGXYRCANWGOV-UHFFFAOYSA-N 484.601 2.997 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740990080 HXNLTLZODJIZEY-PKOBYXMFSA-N 490.630 2.614 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(C)(C)C2)CC1 1741705350 BGTSEYCDKPUINS-UHFFFAOYSA-N 479.629 2.812 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)C1 1741983080 FJYDFYBRFHGPBV-FOIQADDNSA-N 498.531 2.803 30 10 JFEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)n1 1742723685 CRLXLCKIVZBMIY-QFIPXVFZSA-N 497.625 2.646 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1743889424 DSNKPDKIMRGXTJ-KRWDZBQOSA-N 451.575 2.603 30 10 JFEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2ccc(C)cc2)CCOC1 1746683659 GEVFUTTUDUTYPX-VWLOTQADSA-N 466.586 2.799 30 10 JFEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCN1CCOCC1(C)C 1747184132 DTRYNZKTJWPPPC-UHFFFAOYSA-N 467.618 2.514 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1748818600 CLGMPJIGDDPBPF-VXKWHMMOSA-N 484.647 2.815 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1748821353 PYMOOZONLGSNLK-GCJKJVERSA-N 462.641 2.607 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1748824553 QEPPKOGCDIESHF-QGZVFWFLSA-N 469.032 2.890 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1nnc(C)s1 1748950754 NYXZHBIOYXIEEA-UHFFFAOYSA-N 464.393 2.914 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1748979054 UHIJBEUMBJOJAV-FQEVSTJZSA-N 488.478 2.922 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1749004120 FGHOUWKKAMFXSB-JOCHJYFZSA-N 452.603 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(C)C)nc2)CC1 1749009072 LXOAFIDEZMQVEY-UHFFFAOYSA-N 459.554 2.536 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)C(C)C)CC1 1749019161 NCQRXCGWKFTJEA-AREMUKBSSA-N 467.614 2.847 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1749032652 ORXALCMFPGOZMK-UHFFFAOYSA-N 453.597 2.516 30 10 JFEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749276072 QZMHWYFRWLGJKR-FQEVSTJZSA-N 456.978 2.973 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749651237 QFBBGSIWWOMOPO-MHPIHPPYSA-N 485.585 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1 1749740422 VJBXMFKDLZZBLY-UHFFFAOYSA-N 464.563 2.746 30 10 JFEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749745735 FPPANAIZRHSAER-QFIPXVFZSA-N 485.570 2.587 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760148622 HABSEUOYECDUNJ-CTNGQTDRSA-N 453.587 2.923 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1760177938 SKOZIJZZSBVSRS-LJQANCHMSA-N 478.578 2.505 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1760208225 NCSQVDXSIIGFGN-ACRUOGEOSA-N 483.613 2.865 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccco1)N1CCCCC1 1760208267 PAEOXXIHBHYMTO-FUDKSRODSA-N 451.571 2.895 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760210698 SZNUXIZSOWSWQZ-GOSISDBHSA-N 453.543 2.852 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CCC1 1760218617 JZWXYLIDNMWUAD-FQEVSTJZSA-N 466.607 2.774 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nc(C)c(C)s1 1760245168 UBOYXLQLMRFGJR-UHFFFAOYSA-N 473.624 2.751 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](c1ccco1)N(C)C 1760249636 PJHYLSSQUFRQBE-PGRDOPGGSA-N 451.527 2.773 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSCc2ccccc2F)CC1 1760268184 FHVXMYCPMBUOCR-UHFFFAOYSA-N 481.601 2.717 30 10 JFEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760277811 FRAGTPWNRQKAGY-UHFFFAOYSA-N 476.606 2.954 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760297722 GJROCGIRISBLRA-NTKDMRAZSA-N 487.626 2.529 30 10 JFEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760312500 YUTRMDULMVRUJD-LJQANCHMSA-N 450.312 2.621 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1760312791 DQDFDOSWJXNKRY-NHCUHLMSSA-N 488.633 2.800 30 10 JFEE C=C(Cl)Cn1c(N(C)CC(C)(C)CN2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1760388943 YEQCDEKSLKKIPA-QFIPXVFZSA-N 456.031 2.866 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F)c1ccccc1 1760418851 ZSYGSTWARJTMMP-MSOLQXFVSA-N 487.548 2.969 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760445168 BRKDQOVEULPDRJ-LJQANCHMSA-N 454.575 2.797 30 10 JFEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1760445191 CMRJSGCRKLRJPE-UHFFFAOYSA-N 484.004 2.958 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760466925 NMXVXTOHPPUJAE-CTNGQTDRSA-N 459.616 2.992 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1760504244 XQEJDPBYAAOYHM-PIJWYQRNSA-N 481.663 2.943 30 10 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2.869 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1286967036 CCFOCAKDGBEAAM-FUHWJXTLSA-N 482.566 2.670 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCS(=O)(=O)C1 1288506299 FWILRJMCZWBOLF-IRXDYDNUSA-N 453.572 2.898 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2conc2COC)c1 1300333746 CLUVLOOEYCTTNJ-UHFFFAOYSA-N 471.521 2.503 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300380970 KWRJNPMPAAADQF-UHFFFAOYSA-N 486.642 2.859 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300485140 UNTBYOVQEWYDQB-DHIUTWEWSA-N 469.655 2.933 30 10 JFEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300488024 AFLUAYYCYPTWDP-GOSISDBHSA-N 473.505 2.617 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H](OC)C(F)(F)F)CC1 1300684873 BUBAVHWCGYDAHK-MRXNPFEDSA-N 489.340 2.769 30 10 JFEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)c2ccsc2)CC1 1300707533 GCHSVTLWIXKCGO-DEOSSOPVSA-N 451.596 2.890 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](OC)[C@H](C)CC)CC1 1300718917 IMESNBLMVLCPPN-GCJKJVERSA-N 453.587 2.981 30 10 JFEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1300857570 FMFQRMPXKKLVBY-CABCVRRESA-N 482.404 2.895 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1300952250 PKFKBODYGSYVIH-IBGZPJMESA-N 474.606 2.611 30 10 JFEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1301034594 RPTDZTDFWJGFCI-HUUCEWRRSA-N 464.954 2.776 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1301223149 NPPBZRFECPWJRD-LEWJYISDSA-N 459.616 2.789 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301480704 DCZMBPIEXLSNIE-JKSUJKDBSA-N 484.498 2.932 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@]2(CCOC2)C1 1301484501 HHSCYSRPLWUBML-NRFANRHFSA-N 476.375 2.635 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1301508719 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UXEBQGXHSNCUNY-WOJBJXKFSA-N 491.621 2.650 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1cc(Cl)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1358963113 BUVMHQZMGUTRQQ-OAHLLOKOSA-N 458.918 2.770 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCc1cnn(C)n1 1358987167 VEDQQAHAAFQYAA-UHFFFAOYSA-N 452.360 2.932 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H](c1cccs1)N1CCOCC1 1358995835 HNLQHKSMUYXARB-QFIPXVFZSA-N 460.607 2.862 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CC=CCC2)CC1 1359041745 GWKJPVFZAJZOHC-UHFFFAOYSA-N 452.990 2.826 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCO2)CC1 1359047626 NOLJYASXZNQMFB-PWRODBHTSA-N 457.619 2.732 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCC(C(N)=O)CC1 1359104631 DMSDSCFLDZTVHS-WMZHIEFXSA-N 469.586 2.939 30 10 JFEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1359229028 WCTNRNAELWMLDJ-UHFFFAOYSA-N 467.549 2.725 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)[C@H](C#N)C1 1445364662 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C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705906758 NRVXRHJHMQSUMA-HXUWFJFHSA-N 482.629 2.846 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705931660 XGSHIHCJSIZBOF-IBGZPJMESA-N 485.570 2.701 30 10 JFEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)c1cccnc1 1706255394 DYBULRFNQSLHQT-HSZRJFAPSA-N 473.581 2.947 30 10 JFEE N#Cc1ccc(N2CCN(c3nnc(C4CCCC4)n3CC(=O)NCC(F)(F)F)CC2)c(F)c1 1712880479 ADEVADNMYQEESG-UHFFFAOYSA-N 479.482 2.952 30 10 JFEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722320987 RACUAOGEJIQVNP-UHFFFAOYSA-N 461.570 2.864 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722359783 BBHXIMORYABBIZ-FXAWDEMLSA-N 469.542 2.573 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722363880 CKFDLWZHCSYRLF-DYESRHJHSA-N 476.649 2.526 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1ccccc1NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722367934 PCHFWHHQUWIAAJ-SFHVURJKSA-N 473.599 2.863 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(N(C)C)CCCC2)CC1 1722436166 YOVTUMHUNGOVMW-UHFFFAOYSA-N 452.603 2.592 30 10 JFEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC(C)(C)C)c2)CC1 1722440096 BQUHZLVQFCUCLZ-UHFFFAOYSA-N 464.614 2.519 30 10 JFEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722524606 GBHALHJTDPFYPC-UHFFFAOYSA-N 494.640 2.990 30 10 JFEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722619506 FMGSVXOEHBYIOK-FQEVSTJZSA-N 459.616 2.870 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722727070 LDSBFZGXKSQJOU-LJQANCHMSA-N 493.655 2.535 30 10 JFEE C[C@H]1CCC[C@@](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)(N(C)C)C1 1726518319 HMSLENZMGFVNFA-UQBPGWFLSA-N 499.685 2.845 30 10 JFEE CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1OC 1728210601 DQHCSZPWECEYQB-UZFJHSOTSA-N 459.522 2.724 30 10 JFEE CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1729208420 CBRGWOXPYUOBJM-HOTGVXAUSA-N 454.597 2.523 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740536212 ARZJJLPBCQVGQZ-SPEDKVCISA-N 487.626 2.624 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740583221 WVSOZMTWJVIBLY-HNNXBMFYSA-N 496.431 2.600 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740621377 WIXPIPYEKSDHNY-FUHWJXTLSA-N 470.517 2.848 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNc1ncc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 1740621729 OLHXOXKIEVHSMC-HNNXBMFYSA-N 494.408 2.714 30 10 JFEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@@H]1CCOC1 1740658311 JSILPINLPANEHA-XMMPIXPASA-N 460.626 2.532 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[C@@H]2COCCO2)CC1 1740689488 ARYDSXZRMSNTHY-FCHUYYIVSA-N 453.587 2.596 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCn2cc(C)cn2)CC1 1740699945 ZYHLOINMSZIRTN-UHFFFAOYSA-N 484.402 2.580 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1740706320 VSWYULORHASTFA-JOCHJYFZSA-N 453.587 2.981 30 10 JFEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccncc2)CC1 1740765330 USGJLESRWLQJMT-UHFFFAOYSA-N 466.634 2.524 30 10 JFEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1740839604 LCSJMXSKIJGRHZ-WCWDXBQESA-N 462.554 2.806 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1740868852 URDJWOVWWBTGFP-KDOFPFPSSA-N 455.531 2.711 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCCCC2 1740890607 DEMKXFMOROJZKD-UHFFFAOYSA-N 454.966 2.850 30 10 JFEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740962689 LPGPCVHQMUALBG-IBGZPJMESA-N 484.601 2.647 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccnc2OC)C1 1740984287 ZINJRRIYGBOXLR-QGZVFWFLSA-N 454.556 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740989393 LTIQTELBFAZWIA-UHFFFAOYSA-N 491.564 2.651 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740991845 GMHUNXCVGQHHOI-UHFFFAOYSA-N 472.537 2.839 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CC1(C(N)=O)CCOCC1 1741124597 FXJPMESNLLJKQX-GFCCVEGCSA-N 467.393 2.647 30 10 JFEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1741807380 GSPPQGFKKKRKNP-INIZCTEOSA-N 467.574 2.916 30 10 JFEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1742935173 FBOYCLZXVNOUAZ-XQBPLPMBSA-N 470.643 2.808 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C[C@H](C(F)(F)F)O1 1743253561 AYQWQYOLNBJFCY-WMLDXEAASA-N 451.449 2.514 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCSCC2)CCCCC1 1744096204 AKZFNCRVDMVWHZ-HXUWFJFHSA-N 489.690 2.677 30 10 JFEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C 1746621953 IDWBTRIXSGRHJZ-VXKWHMMOSA-N 454.575 2.609 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCCC2)c1 1748698743 XBBPMZAUJFUZBD-DENIHFKCSA-N 450.587 2.918 30 10 JFEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1748703573 SWEKLZKMVOJBPX-QFIPXVFZSA-N 451.575 2.873 30 10 JFEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1748734313 DSLGHILEUHWBPZ-UHFFFAOYSA-N 480.432 2.981 30 10 JFEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748809279 RGAMCMRCJFEUFA-AEFFLSMTSA-N 462.641 2.937 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748821693 SWMXRVXAJNJSNG-QFIPXVFZSA-N 499.681 2.791 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@](C)(O)c1ccccc1 1748840866 LUEXTBZYEGOESV-RUZDIDTESA-N 476.606 2.609 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CCc2ccccc2)C1 1748875901 ZAGVGZWCAUTGQT-DEOSSOPVSA-N 481.604 2.953 30 10 JFEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1749022861 IEDPZKDJDYUNJK-AWEZNQCLSA-N 450.337 2.942 30 10 JFEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749090520 OZDMXCDDGICEPK-UONOGXRCSA-N 450.249 2.876 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749115991 XWEZXAWHUWAHOU-TZIWHRDSSA-N 484.601 2.570 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749213142 FTYHVACZWBSEMA-KRWDZBQOSA-N 492.378 2.908 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2SC)CC1 1749303769 OSNJKQHXODFORJ-LJQANCHMSA-N 477.656 2.846 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2Cc2ccccc2)CC1 1749329245 JDVGZMDKSJOMEX-DENIHFKCSA-N 472.659 2.955 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1749428115 YUQMGXAVWJDVKL-GOSISDBHSA-N 475.590 2.684 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749458040 VNRQFUSLHRSBNA-GOSISDBHSA-N 495.596 2.744 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1750751939 DLIHINRDLHISEJ-UHFFFAOYSA-N 465.646 2.910 30 10 JFEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(CCN(C)C)CC2)cc1 1751587975 HHMMFWIXKNOXNP-JOCHJYFZSA-N 483.686 2.881 30 10 JFEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1752419516 CLBWAFZJIAIFRO-DENIHFKCSA-N 468.602 2.701 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1760154952 MODPVEUSRGITSY-XLIONFOSSA-N 458.584 2.952 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1760170550 HMBGGFGAQDAHRZ-UHFFFAOYSA-N 482.610 2.663 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC(C)CC1 1760214822 CUMQGSYZAGTADS-OAQYLSRUSA-N 457.586 2.504 30 10 JFEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1760225326 NGZYNCLMLDUVLC-KRWDZBQOSA-N 490.630 2.938 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(OC)CCOC2)CC1 1760264117 CDSXXMWDBISNOZ-SANMLTNESA-N 467.614 2.715 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCC)C1 1760305403 DHVAWHKULMUWPN-OAHLLOKOSA-N 473.375 2.963 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760513465 DVODBYBEDJCPCQ-UHFFFAOYSA-N 454.556 2.628 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC2CCCCC2)CC1 1760518476 VTYZSJJWFAAFNC-UHFFFAOYSA-N 482.629 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCOC(C)(C)C1 1760554267 XQARTUGWQSOBGN-UHFFFAOYSA-N 457.556 2.816 30 10 JFEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)C(=O)NC)NC(=O)OC(C)(C)C 1762343525 HUUCVPSOHLRREH-APWZRJJASA-N 469.590 2.938 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1762392770 HHBKGPQMXVBPPQ-INIZCTEOSA-N 462.606 2.642 30 10 JFEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CC1(S(C)(=O)=O)CCCC1 1768963654 HNBDFJVXABUNLM-QGZVFWFLSA-N 461.588 2.819 30 10 JFEE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NCCCn4ccnc4)c(C)c32)cc1 1772748154 IZHAMJYMASZWKJ-UHFFFAOYSA-N 469.567 2.932 30 10 JFEE COc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862439039 HRDROPXXQAGUDY-LJQANCHMSA-N 474.897 2.777 30 10 JFEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc(OC)c(O)c(OC)c1 1862613312 YESXBCZETWWWPB-NRFANRHFSA-N 485.489 2.795 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1F 1862647374 BOFXPLSPVQETQR-FQEVSTJZSA-N 475.469 2.821 30 10 JFEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1O 1865721938 GAWVISSDMJFZEG-IBGZPJMESA-N 484.597 2.741 30 10 JFEE CC[C@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1cccc(C#N)c1 1867078577 SKXVQIMZWRXYFM-AUFJSOOLSA-N 454.552 2.745 30 10 JFEE COc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 1870160679 FCWHDPFGYYMTGJ-UHFFFAOYSA-N 468.429 2.789 30 10 JFEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccncc1 1870348467 ZGBSHWBAWSHLOI-UHFFFAOYSA-N 462.550 2.837 30 10 JFEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870348873 POTZJNAMDCFMDB-UHFFFAOYSA-N 488.592 2.838 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)noc2C)cn1Cc1ccc(S(N)(=O)=O)cc1 1870565513 LPQNNWGBIJBPQV-UHFFFAOYSA-N 498.605 2.902 30 10 JFEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870571182 UAGRKQQDUUABLC-UHFFFAOYSA-N 498.584 2.673 30 10 JFEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(N2CCC(C)CC2)cc1 1871260582 PFJMUCVWZJSBTQ-UHFFFAOYSA-N 468.598 2.760 30 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C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925042 WFEFQMOLBAWJDE-HNNXBMFYSA-N 477.384 2.654 30 10 JFEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)c(O)c1 21325857 PTOHYJZPMCYKCD-DHRITJCHSA-N 496.597 2.923 30 10 JFEE CCOC(=O)/C(=C/c1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 33510110 NQWNAFFXZCIOLP-LFIBNONCSA-N 478.320 2.809 30 10 JFEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccc([N+](=O)[O-])c3)n2)cc1OC 58992904 MJOQNWPEFHBFSQ-SSDVNMTOSA-N 471.499 2.585 30 10 JFEE CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1cnc2cc(F)c(F)cc21 109509703 HWKTVYPNGYPJKZ-JOCHJYFZSA-N 487.532 2.916 30 10 JFEE Cc1cc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(-c4ccccc4)c3N(C)C)[nH]2)no1 253576778 WGPMZYVBMXFAHY-SSDVNMTOSA-N 480.558 2.838 30 10 JFEE CN[C@@]1(C#N)CCC[C@@H]1CCn1cnc(I)c1I 385473580 LSXJHHYLRGSKJL-BXKDBHETSA-N 470.096 2.764 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 512717727 CEFVDTBHZQZRRF-UHFFFAOYSA-N 471.945 2.920 30 10 JFEE 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467.614 2.842 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCN2CCOCC2)c1 1507550302 WULFKVYIFJKJNJ-UHFFFAOYSA-N 462.554 2.625 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507622618 KEUDKUHWSKQAEG-MRXNPFEDSA-N 467.636 2.506 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCC[C@@H]1C 1507647293 COQOQJXHTIAFCK-FQEVSTJZSA-N 457.582 2.529 30 10 JFEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507694444 MMXGRARXHNSVSH-HXUWFJFHSA-N 465.520 2.795 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1507740247 KIMVMRZMQAFDLM-UHFFFAOYSA-N 468.508 2.740 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507780165 XBCIOEXRQIHRDQ-QZTJIDSGSA-N 483.411 2.629 30 10 JFEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507838021 ZAVSGQIAXQOJFO-MSOLQXFVSA-N 458.538 2.706 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 1507954069 KMSGJFDSTFIMKK-OAQYLSRUSA-N 459.616 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCCC)c1 1539043564 RDTJBWZYIKTVFK-NRFANRHFSA-N 487.564 2.518 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1539079213 PRDDZUOSBMBTNK-LJQANCHMSA-N 478.626 2.968 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccc(Br)cc2C1 1539094834 WJSQGOJDTVWEJW-CYBMUJFWSA-N 452.378 2.584 30 10 JFEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539112357 NOEMOODDYNZMPJ-UHFFFAOYSA-N 488.640 2.925 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1539145715 PYCMGIPGAHTUAX-OAQYLSRUSA-N 459.554 2.841 30 10 JFEE C#CCN(c1nnc(CC)n1Cc1ccc(CN2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1539218850 FFCMMBQKKKPPME-QFIPXVFZSA-N 455.628 2.501 30 10 JFEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1539220007 GOYXRGKZFCBUJX-DHIUTWEWSA-N 485.654 2.646 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1539229884 JHKICJWEUHNCHG-QUCCMNQESA-N 460.625 2.688 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1539241725 IVLJHADSOLLJJB-QGZVFWFLSA-N 497.372 2.602 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCN1C1CC1 1539266671 RINNAEOWEFJNRI-FCHUYYIVSA-N 482.629 2.676 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)c(F)c1 1539333378 BXZPKKBZADSLLK-UHFFFAOYSA-N 492.580 2.610 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(NC(C)=O)nc1 1539338726 ZIKGSRVPJJAVEZ-OYRHEFFESA-N 491.596 2.913 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)Cc2ccccc2C1 1539420497 FMXHJUBGXCOLTD-UHFFFAOYSA-N 464.639 2.819 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cnn(CCOC)c2)CC1 1539436275 OPPAITCUSFNDLM-UHFFFAOYSA-N 474.396 2.898 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ncccc2N(C)C)CC1 1539489583 VAONMDFEFICOOW-UHFFFAOYSA-N 485.636 2.929 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539497704 OKLKHMNWHGJFCV-RXVVDRJESA-N 486.667 2.585 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](OC)[C@H](OC)C1 1539499128 FBQYSJIZQVOHNX-HDICACEKSA-N 481.416 2.933 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1539706321 HBDOKDJFCYHXTH-NRFANRHFSA-N 490.649 2.711 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539706431 HJBMONOQDJQDJQ-DVECYGJZSA-N 487.605 2.648 30 10 JFEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1539750967 FDNCPBUOCPDMRE-PXNSSMCTSA-N 458.538 2.914 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1539977757 RSXREXVXRIBBEH-INIZCTEOSA-N 452.519 2.976 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1540182763 YLCLWMBBNDLOER-YKSBVNFPSA-N 457.575 2.973 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1540189474 VCQNGYRNLKIVSM-IFMALSPDSA-N 471.602 2.884 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 1540862693 HDHLFZRCDTXTKW-MRXNPFEDSA-N 453.534 2.710 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(C)C)CC1 1540871443 LVNLCNLVEUEISK-IBGZPJMESA-N 476.622 2.761 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)C)CC1 1540898463 KZZSHUWWLDIHFA-UHFFFAOYSA-N 482.448 2.839 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540907248 PVTWYLGBKYLVEE-OAQYLSRUSA-N 473.643 2.831 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CC=CCC2)C1 1540917372 URZCANUYKRBVOI-SIKLNZKXSA-N 481.688 2.857 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1540917521 YPFBIEKPYSFCLQ-PMACEKPBSA-N 462.641 2.547 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1547743846 AKBJVGKFXCVPQX-FQEVSTJZSA-N 479.629 2.968 30 10 JFEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NCc1ccccc1 1548371067 KLZRRPRAWQQHMJ-OAQYLSRUSA-N 489.498 2.740 30 10 JFEE Cc1cc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@@H]2C(N)=O)nn1C 1548379936 MASVEAQSLZCRDW-LJQANCHMSA-N 474.487 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496.431 2.860 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1595608680 WHVJYKQTTHLYOU-HXUWFJFHSA-N 475.553 2.643 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1595805459 PLVMDJDRERLSAI-UHFFFAOYSA-N 480.656 2.520 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CCCO1 1612977254 CACIWNUUKFUIRM-JPYJTQIMSA-N 456.616 2.781 30 10 JFEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)N1CCOCC1 1613507850 HRFKPRVIZUNRCN-BKMJKUGQSA-N 479.629 2.655 30 10 JFEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C\NCCc3ccncc3)C(=O)C[C@@H]1C)C2=O 1615248665 VLYHYHHXRPLIAY-BSEUSFKKSA-N 470.909 2.960 30 10 JFEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1616406305 SUAJUROAQYGBLP-QUCCMNQESA-N 450.624 2.828 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1616707411 GZLRCPYMEGDJRV-ZWKOTPCHSA-N 458.584 2.931 30 10 JFEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1nnc(CC)s1 1616910205 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483.682 2.812 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCn1cc(Br)cn1 1705600084 LKAUUERSWRWRAY-UHFFFAOYSA-N 477.370 2.639 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=C)Br)CC1 1705638631 RANVDZMFVVYUHY-UHFFFAOYSA-N 496.413 2.729 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705658564 TYRIDZQJHHAKCS-UHFFFAOYSA-N 475.622 2.773 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705828127 CYQUYZCKFBZPMG-IBGZPJMESA-N 466.521 2.867 30 10 JFEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705830070 ISZZRUCJMUQUHN-WIYYLYMNSA-N 476.599 2.787 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1)C(C)C 1705867769 VMOVZUSDMRSJFQ-MSOLQXFVSA-N 484.567 2.821 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1 1705898054 ZUPAQNIEJVARNN-QGZVFWFLSA-N 483.523 2.720 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(c2ncccc2F)CC1 1705905249 OZFALVWRDKOMTB-UHFFFAOYSA-N 485.514 2.700 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1705906246 XVILMEQCHIHGCZ-IAQAZVPISA-N 452.584 2.501 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCOC2)C1 1705911145 ZTVCGERNENVMJW-RUZDIDTESA-N 469.586 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1705931004 BQQPVMWPJIHOOZ-UHFFFAOYSA-N 482.050 2.746 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC(C)(C)C1CC1 1706888619 HZWSHVKDKYQEIV-IBGZPJMESA-N 499.685 2.908 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1)S(C)(=O)=O 1709975295 DOGHSIKAYVVACW-MHECFPHRSA-N 486.642 2.618 30 10 JFEE CN(C(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1710966367 BBEIZNWGKZGZQZ-JOCHJYFZSA-N 450.587 2.973 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCCC1 1722281944 PDTJLSMRBBUYIW-SFHVURJKSA-N 457.600 2.599 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(S(C)(=O)=O)CCCC2)c1 1722305920 WQACIVJVGCKFHE-UHFFFAOYSA-N 457.600 2.815 30 10 JFEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1722339236 RIXVVPQOUOZZSC-SZPZYZBQSA-N 453.635 2.879 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)c1c(C)noc1C 1722345629 IESGRBDXOMHZTD-OAHLLOKOSA-N 456.572 2.673 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1722354450 FSDZMUNJHBUEQP-UXHICEINSA-N 460.623 2.776 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722365054 KFBDEJICHXBIRH-GHTZIAJQSA-N 476.046 2.633 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722365837 FYDGWQGJALWNRV-VQTJNVASSA-N 493.674 2.750 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)CCCO2)CC1 1722440841 LNASGAHPPQNWKC-SANMLTNESA-N 478.597 2.682 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCC(C)CC2)CC1 1722451056 XDZDZCWDYOMVRW-UHFFFAOYSA-N 478.641 2.863 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722508184 RDFGDZDATUCELS-PZJWPPBQSA-N 455.607 2.849 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722524236 VRVYHHFMHKXWCB-UXHICEINSA-N 487.605 2.573 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722547353 GEPYZSDSOPRGAG-UHFFFAOYSA-N 453.934 2.527 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 1722588788 ZOJRVPWFMAIZKK-AVRDEDQJSA-N 469.652 2.609 30 10 JFEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722609745 ZTSQGTJBQYMOMH-UHFFFAOYSA-N 499.572 2.542 30 10 JFEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722619374 AHFDGCLPYIGSLN-LJQANCHMSA-N 459.595 2.836 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1)C1CC1 1722646841 MHGAVJVPZMCMKS-PXNSSMCTSA-N 450.653 2.840 30 10 JFEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1725746772 GMWXDPBRAOPGEB-UHFFFAOYSA-N 476.585 2.629 30 10 JFEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1727716643 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30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cscc2C(F)(F)F)CC1 1760265189 RAOUXJFIDWSGJE-UHFFFAOYSA-N 482.532 2.511 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCSCCCO 1760287980 LUUPYUSKFIEQOH-JOCHJYFZSA-N 462.019 2.969 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760310620 AYUVMOXKBWBASE-LJQANCHMSA-N 479.404 2.654 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760314362 VOVIDXQIKVFTAN-UYAOXDASSA-N 497.600 2.964 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1760346302 RIRWKFWSQQCXJN-QGZVFWFLSA-N 457.959 2.616 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@]2(CCOC2)C1 1760350671 PGLSIEXBURQWFL-IBGZPJMESA-N 452.353 2.624 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760380559 HFXDDHWPBDJJRL-QWFCFKBJSA-N 467.058 2.986 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1760432390 IWFDAQBBNMSKOA-IRXDYDNUSA-N 484.667 2.984 30 10 JFEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760453037 VZELXRWTCVKPEM-HXUWFJFHSA-N 472.615 2.513 30 10 JFEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 1760500345 YNIIDLUREVZMHD-UHFFFAOYSA-N 458.588 2.864 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2cccc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 1760529221 ZXKNSCAUMOEYMR-BWKNWUBXSA-N 469.586 2.971 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1761262801 CGLAMTGPANYPMQ-PMACEKPBSA-N 479.629 2.667 30 10 JFEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1C 1761837289 HURADQYQDIHMCH-HXUWFJFHSA-N 473.599 2.560 30 10 JFEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1)CC(F)(F)F 1767350112 DISUJGRWCMKWQL-HXUWFJFHSA-N 491.562 2.859 30 10 JFEE COc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1768684864 BTZNSFCNUFXBOZ-GOSISDBHSA-N 470.917 2.700 30 10 JFEE CN(c1ccc(NC(=O)c2cccc(C#N)c2)cn1)S(=O)(=O)c1ccc2c(c1)OCCO2 1858257707 VIWZBVNZTCIYIV-UHFFFAOYSA-N 450.476 2.802 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(OC3CCCC3)cc2)C1 1858336682 VNQWYLNLVFAZLP-SFHVURJKSA-N 475.592 2.621 30 10 JFEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4ccccc4C#N)C3)ccc21 1858416014 KQOYWMFGEUNJIK-LJQANCHMSA-N 452.536 2.507 30 10 JFEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2c(F)cccc2F)cc1 1858661783 NKTHNXLNGYWJOV-UHFFFAOYSA-N 463.506 2.896 30 10 JFEE C=C(C)Cn1nc(C)c(CCC(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C 1860322940 NZRZURQGMJFQPH-LJQANCHMSA-N 486.016 2.948 30 10 JFEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H]2CCCO2)ccc1O 1862629840 GCJVKHWFZDPQGL-VFNWGFHPSA-N 453.447 2.887 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1cc(OC)c(OC)c(OC)c1 1864330504 UBGJWPRSTWIGKY-GOSISDBHSA-N 456.543 2.878 30 10 JFEE C[C@@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCCCC1 1870324252 BUFAGBUTWGHMGZ-MRXNPFEDSA-N 470.595 2.654 30 10 JFEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(CCO)CC1 1870478085 NHCNNDRMTQNZMQ-UHFFFAOYSA-N 465.635 2.649 30 10 JFEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870713184 UJGVAGORNHJEJH-UHFFFAOYSA-N 472.973 2.711 30 10 JFEE N#Cc1cccc(NC2=C(c3cc(F)c(F)cc3F)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873239684 JFHZZZGDXDRXRW-UHFFFAOYSA-N 470.451 2.890 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(NCCc3cnc[nH]3)ncnc21 1873620220 ZNGSWGYGESIRBX-UHFFFAOYSA-N 485.596 2.999 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661571 YOVATEONUXJGDB-UHFFFAOYSA-N 454.962 2.946 30 10 JFEE COC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874413420 SOKWIDAGNXNGSH-KEBDBYFISA-N 475.508 2.757 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccccc1C(=O)O 1874432265 VWNFZAFDBXQGHD-OPEKNORGSA-N 480.550 2.842 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(Br)cc1 1874433468 MERLWAWEECKBDN-ODCIPOBUSA-N 494.400 2.746 30 10 JFEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(OC)cc2)o1 1874433829 ZOLOXBGZGWHDQG-FOKLQQMPSA-N 457.512 2.867 30 10 JFEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226557 JQXVDKJAHAESTF-UHFFFAOYSA-N 476.581 2.676 30 10 JFEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)cc3Cl)CC2)CC1 1890076238 VEIHNJAXMCWROQ-UHFFFAOYSA-N 468.823 2.975 30 10 JFEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1c1ccc(C#N)cc1 1890658597 PPHAOLFYIAXOHD-YADHBBJMSA-N 466.563 2.529 30 10 JFEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CN(c4ccc5c(c4)OCO5)C(=O)O3)n[nH]2)c1C 1891710655 IPBGIQBWBZHEPQ-QGZVFWFLSA-N 478.509 2.950 30 10 JFEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccccc2)C1 1891840190 NIKAVOUKYMUCQB-GOTSBHOMSA-N 485.544 2.525 30 10 JFEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(S(C)(=O)=O)cc2)[C@@H]1c1ccc(C#N)cc1 1892214102 XUZIIEOAVSEKND-LEWJYISDSA-N 457.577 2.994 30 10 JFEE CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180968841 BIGABCXMLDJNIF-IBGZPJMESA-N 476.448 2.997 30 10 JFEE CO[C@@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCN(C(=O)OC(C)(C)C)C1 2185166478 XBNDZJFVDOVVOG-DEOSSOPVSA-N 460.380 2.628 30 10 JFEE Cc1cnc(N2CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241078424 ZZBRNHGMNMVFQG-GOSISDBHSA-N 461.412 2.887 30 10 JFEE COc1cc(CNC(=O)CNC(=O)OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2251313913 XXULIUXZHSXIBA-UHFFFAOYSA-N 454.332 2.537 30 10 JFEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255637454 GSRHYGMLQAVXGM-KBPBESRZSA-N 451.398 2.912 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CCC1 2255836705 CVVBHJXKWJYZTJ-HNNXBMFYSA-N 451.398 2.866 30 10 JFEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255873252 CICQBLUULGMRRD-UHFFFAOYSA-N 454.398 2.709 30 10 JFEE CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256629280 RXOSRZDAHLJPHI-HIFRSBDPSA-N 453.414 2.998 30 10 JFEE C=C(CS(=O)(=O)NCc1csc(CNC(=O)OC(C)(C)C)n1)B1OC(C)(C)C(C)(C)O1 2258690838 JGGGHQLYVCALIX-UHFFFAOYSA-N 473.426 2.775 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 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C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C(C)(C)CN1C(=O)OC(C)(C)C 2282188778 ALICOOQRFICPCM-OAHLLOKOSA-N 460.384 2.636 30 10 JFEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282508015 PPCDTHPSKZTJBH-KSSFIOAISA-N 484.399 2.659 30 10 JFEE CCON(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282510766 DNFIUCVXNCEODK-UHFFFAOYSA-N 484.424 2.594 30 10 JFEE CCn1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282538499 HGPVAPNTVNLZMO-CVEARBPZSA-N 462.400 2.625 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 2282571845 FOPOJNIXCLSTQL-RUZDIDTESA-N 454.376 2.596 30 10 JFEE Cc1cnc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2282646186 NEMSNJQMTVTMSN-IRXDYDNUSA-N 459.396 2.922 30 10 JFEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 2282701163 VHGSFUYPNQMPFD-QGZVFWFLSA-N 462.396 2.594 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282815218 XBFOKMNHCWWYAH-JKSUJKDBSA-N 480.798 2.739 30 10 JFEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282838048 IYYYWVKPPZZGEE-YOEHRIQHSA-N 484.399 2.801 30 10 JFEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C 2283949528 ZZPWIEXUXHZNRF-HSZRJFAPSA-N 480.436 2.768 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H]2CO[C@H](C)CN2C(=O)OC(C)(C)C)s1 2283982808 CJRXKOZNLJQWHC-RHSMWYFYSA-N 480.436 2.996 30 10 JFEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2284052575 YKZFSBNBCGRRIG-UHFFFAOYSA-N 480.436 2.768 30 10 JFEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]12 2284066048 OXTRAVPYLDWSNN-RCCFBDPRSA-N 478.420 2.640 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2284435519 OKYBYSVXGHMXDY-XMMPIXPASA-N 470.400 2.815 30 10 JFEE COc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)cc1 2296125635 KYWNVPCLANSZDX-JOCHJYFZSA-N 452.507 2.840 30 10 JFEE COc1cc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)ccc1O 2296929552 GYQYBDPPSBEMEM-NRFANRHFSA-N 480.498 2.675 30 10 JFEE C[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2315638080 GJSYBKKFRZUUIF-CQSZACIVSA-N 451.398 2.914 30 10 JFEE COc1ccc(S(=O)(=O)NN=Cc2cc(Br)cc(OC)c2OC)cc1OC 2323404247 OBOOHLMHPYZRTD-UHFFFAOYSA-N 459.318 2.796 30 10 JFEE CCOc1c(C=Nn2c(SCC(=O)OC)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cccc1OC 2327876307 JTZAUVXVHCPQLZ-MRXNPFEDSA-N 489.598 2.947 30 10 JFEE Cc1ccc(NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2352965362 URLXXQPKFGJABL-CXAGYDPISA-N 452.332 2.646 30 10 JFEE CC#CCN(CC(=O)O)C(=O)Nc1cc(I)cc(I)c1 2363051647 CAOZAVUSDCUDQO-UHFFFAOYSA-N 498.058 2.838 30 10 JFEE COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2364212876 BETYBJGPHJAPKH-MWTRTKDXSA-N 464.368 2.723 30 10 JFEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CCO)COCc1ccccc1 2369482655 OQGOFKUKSMZWHL-HXUWFJFHSA-N 455.360 2.692 30 10 JFEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2cccc(Cl)c2)n[nH]1 59888091 JVASGQQYIBHXHY-SRZZPIQSSA-N 462.967 2.831 30 10 JFEE COc1cc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(Br)cc1OCC(N)=O 254292442 XEOHCMGMINQOSE-UHFFFAOYSA-N 473.327 2.870 30 10 JFEE CCOc1ccc(/C=C/C(=O)[C@H]2CNCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 585841019 XUSIYYAWQIRQDE-LRDJZXPISA-N 498.492 2.901 30 10 JFEE C#Cc1cccc(N/C(S)=C(/C(O)=c2cc3c(cc2F)=NC(=O)CC3)[n+]2cc(O)ccc2C)c1 726573226 SAJVYJWAGVZFFP-UHFFFAOYSA-O 474.537 2.735 30 10 JFEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](O)(C(=O)O)C1 757401479 OALRETHVBLZPSQ-NVQXNPDNSA-N 477.517 2.636 30 10 JFEE C=CCN(CC(F)(F)F)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 921164734 PNYRNXAKLAXUPG-UHFFFAOYSA-N 471.295 2.661 30 10 JFEE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)Nc2nnc(C)s2)n[nH]1 1083942001 HZUMHJWCFJZCFH-UHFFFAOYSA-N 483.377 2.913 30 10 JFEE CCOc1ccc(C=NNc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 1084655508 SCYWHLXYKHBSNR-UHFFFAOYSA-N 471.543 2.585 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)ccc1F 1149729141 WRWMEUKBRGDDCQ-UHFFFAOYSA-N 451.951 2.901 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 1159325557 YEPGKVNCYGUWEN-IERDGZPVSA-N 459.543 2.772 30 10 JFEE C#C[C@@H](NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)c1ccc(F)cc1 1210542961 FJJALZWTIQSMCV-GOSISDBHSA-N 456.522 2.987 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1286273965 HGMIDGNFBXUWEY-UZINWLIJSA-N 467.614 2.657 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1286311067 DLYYLPMSIUHRAJ-UHFFFAOYSA-N 469.586 2.851 30 10 JFEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1286311643 LFKQTSAXJQTIMV-UHFFFAOYSA-N 454.575 2.828 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1286313512 BHFCOPRGPAEFLO-WMZOPIPTSA-N 459.572 2.762 30 10 JFEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCNS(C)(=O)=O 1286360033 CAJLNCSSPNTOKF-MRXNPFEDSA-N 453.996 2.697 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286387989 JPFJBSAJEXENCN-QFIPXVFZSA-N 455.628 2.620 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1286387991 JUWFBXITPGVPNO-MRXNPFEDSA-N 475.958 2.579 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(c2ccccc2)CC1 1286435887 MKYHJPQZLMMCLV-UHFFFAOYSA-N 472.597 2.597 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1286484113 DXPSUMFXMLFKSJ-QFIPXVFZSA-N 475.622 2.848 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)OC)CC1 1286488191 VWPBPKJOECPVCF-UHFFFAOYSA-N 459.978 2.998 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cc(C)no2)CC1 1286489058 DKHJXSFAYIMAJK-UHFFFAOYSA-N 478.553 2.663 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CSCCS2)CC1 1286491430 ROWVPZCEGMMINC-IBGZPJMESA-N 473.643 2.822 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC2([S@@](C)=O)CCC2)CC1 1286492046 DXKLYWYTDLJBLN-PGUFJCEWSA-N 497.665 2.687 30 10 JFEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286498782 MBKRIFUGCAMDED-UHFFFAOYSA-N 457.563 2.541 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1286537977 HFJXCFSEANIMCA-CYBMUJFWSA-N 466.336 2.932 30 10 JFEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286600763 HMDLXPAIYYCQRD-UHFFFAOYSA-N 457.542 2.545 30 10 JFEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCN(C)CCOC)CC1 1286639012 UCHGDVFDJKDCHG-UHFFFAOYSA-N 475.663 2.671 30 10 JFEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(C)C)CC1 1286708795 GZXMMTJXNYEPDO-UHFFFAOYSA-N 455.559 2.614 30 10 JFEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286773620 VBAHECZOMXZDHH-UHFFFAOYSA-N 478.601 2.881 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1286783061 FKOXPDOQMBBXKU-JOCHJYFZSA-N 497.518 2.794 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)C[C@@H]1CCCO1 1286787376 UHDVWJOFHCICJQ-SFHVURJKSA-N 479.585 2.543 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286791928 HOCSMWKAHVPASP-NHCUHLMSSA-N 480.613 2.839 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nc(C)cs2)C1 1286810102 NSFBTQVGAZHBDF-USXIJHARSA-N 451.618 2.530 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccco1 1286815378 SWRLZPXDLLREJL-UHFFFAOYSA-N 454.350 2.866 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@@H]1CC 1286817003 JYYKARBKBFFBBA-WMZOPIPTSA-N 494.687 2.772 30 10 JFEE C[C@@H](CN1CCCCC1)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1286964885 FIHSDTFFAAULNT-OALUTQOASA-N 472.663 2.956 30 10 JFEE CCNC(=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)CCC1 1296267237 GSCZGVLNLLOHCW-UHFFFAOYSA-N 469.615 2.706 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H](OC)C(F)(F)F 1300466364 XAQXXKKPULGINV-GJZGRUSLSA-N 461.485 2.623 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1300487486 KAMMKEIXFAFABO-INIZCTEOSA-N 472.640 2.713 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1300487732 MCZQHCGELCNSAZ-UXHICEINSA-N 465.579 2.743 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1300497312 YFUFLRGMQCDRIT-IEBWSBKVSA-N 482.528 2.866 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1300502678 VXDJVYSYVYPBEX-OAQYLSRUSA-N 475.684 2.679 30 10 JFEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(=O)NCC)CCC1 1300643204 YGWFMLBFRMKIQW-HDICACEKSA-N 458.607 2.815 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1300688697 JLOVOYLTHPHIDF-HXUWFJFHSA-N 451.575 2.729 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2([S@](C)=O)CCC2)CC1 1300692271 BSDCDDKMJNDFLY-LJAQVGFWSA-N 476.444 2.764 30 10 JFEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300776888 ODUFWTWYNZGDCM-IBGZPJMESA-N 459.591 2.664 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300937332 RJNGIYDMLXSHQC-UHFFFAOYSA-N 458.994 2.928 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1300951085 ZMXRRNIFGUIKPV-QGZVFWFLSA-N 467.636 2.982 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-c2cnn(C)c2)CC1 1301105495 KGMDDFDUHUHISR-KRWDZBQOSA-N 469.615 2.740 30 10 JFEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301246140 MOWFAFVFWUCJFS-UHFFFAOYSA-N 482.610 2.752 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O 1301337945 OITWNGUCMLKNEZ-OAQYLSRUSA-N 470.599 2.847 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1301351405 SBYGBTWWDHNDIH-FQEVSTJZSA-N 457.550 2.753 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1301483687 UJDFLODGUIXKHW-UHFFFAOYSA-N 484.910 2.796 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CCc1cccs1 1301497047 MLIGQINDMNJGKE-UHFFFAOYSA-N 477.594 2.625 30 10 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AYNBWZDQGJGUDH-IBGZPJMESA-N 485.639 2.596 30 10 JFEE COCCN(CCC#N)c1nnc(-c2ccc(Br)s2)n1C[C@H]1COCCO1 1555555467 CYUMWDFVMVLZJE-ZDUSSCGKSA-N 456.366 2.551 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCS1(=O)=O 1587668156 UDVSBOMNVKNVGN-LJQANCHMSA-N 459.616 2.782 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587738541 GDHUVVWNGYRTQZ-HYBUGGRVSA-N 464.614 2.746 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccnc1OCC 1588006054 BWWGFEOZORORKZ-UHFFFAOYSA-N 459.598 2.554 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1588053217 BIWDNUDTTHNARV-AWEZNQCLSA-N 473.546 2.890 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588053811 IFXZZLZNWIOGBL-RTBURBONSA-N 461.657 2.927 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(F)(F)Br)CC1 1588801120 VQQIFRSBMOQNJV-UHFFFAOYSA-N 476.329 2.874 30 10 JFEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[C@@H](OCC)C(C)C)CC1 1588806383 OQPIIXTVERSOPG-OAQYLSRUSA-N 463.586 2.800 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1588961634 GWROPHZNSAEXIW-QFIPXVFZSA-N 478.641 2.863 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSCC1 1589506364 VGXAAELNAPGLHQ-UYAOXDASSA-N 477.656 2.730 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1594192478 JBCSJUNXSQCMPU-UTKZUKDTSA-N 476.647 2.602 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC1 1595275359 BYUQGASOEYFVEY-UHFFFAOYSA-N 465.396 2.539 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1595343666 RBJZXACAYAWZRC-GOSISDBHSA-N 496.431 2.524 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1595577435 RWYKTASFIJCGGR-QFIPXVFZSA-N 479.585 2.570 30 10 JFEE CC(=O)N1CCC(Cn2c(N3CCC(C)(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1596042097 FKPRUQWVLCVMOF-DEOSSOPVSA-N 458.607 2.707 30 10 JFEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1603169799 CIOWHDSLHVQMKD-FHJLPGHOSA-N 454.575 2.880 30 10 JFEE CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1613510612 CGCNEZQJKDKQIY-FCHUYYIVSA-N 498.628 2.828 30 10 JFEE C=C(C)Cn1c(SCC(=O)NCc2ccc(S(C)(=O)=O)cc2)nnc1-c1ccncc1 1613604468 NUVIETSYYYKABD-UHFFFAOYSA-N 457.581 2.728 30 10 JFEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1620358687 BESSTNYBAUKLQM-KRWDZBQOSA-N 498.531 2.695 30 10 JFEE C=C(C)[C@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)c1ccc(F)c(F)c1 1645343884 GHFNFTMTQPCPHE-FQEVSTJZSA-N 458.552 2.896 30 10 JFEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988256 LQGNMBCKIGATOP-HXUWFJFHSA-N 482.654 2.794 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@H](CO)O1 1690035634 FOWFMXQNPPWLSJ-ZWKOTPCHSA-N 473.371 2.719 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(CC)C(C)C)CC1 1690139202 DFZUYQJGWLYAJR-UHFFFAOYSA-N 467.574 2.549 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1690203260 WMDLOBBDPRILPQ-HSZRJFAPSA-N 450.568 2.531 30 10 JFEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)N[C@@H](C)CC)CC1 1690373843 KLYLATMZAODNKA-IBGZPJMESA-N 452.607 2.913 30 10 JFEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CC=CCC2)C1 1690508752 OSUWISIHDYZUJA-NZQKXSOJSA-N 479.647 2.530 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1([S@@](C)=O)CCC1 1690558536 TZRYAXJNIJDIGW-MGBGTMOVSA-N 466.611 2.880 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1c(C)nn(C)c1C 1690666968 MSONAOZVNBHPMH-UHFFFAOYSA-N 472.391 2.997 30 10 JFEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690739959 DYCBKYXOFXTZNG-KRWDZBQOSA-N 474.656 2.874 30 10 JFEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1691211149 HCLAYJJAUOPYKV-UHFFFAOYSA-N 478.601 2.506 30 10 JFEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CCO1 1696963853 FKGDUACROIGJER-HKBOAZHASA-N 466.586 2.609 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCS1(=O)=O 1698048929 CEFHHCFBEVKFOL-HXUWFJFHSA-N 468.583 2.765 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1705486174 YNAGDIHFUWTOQR-PMACEKPBSA-N 454.619 2.694 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(F)(F)Br 1705551004 DPDMGBTXSPPQIQ-LBPRGKRZSA-N 464.311 2.644 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1N(C)CCCC1(C)C 1705551506 NYKYCOIVWBWTKC-RBUKOAKNSA-N 460.623 2.776 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1705569447 CYGNBLLLHKFEPX-ZDUSSCGKSA-N 461.535 2.627 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCCNC(=O)OC(C)(C)C)CC1 1705637251 OPPYRKCVUZBIQQ-UHFFFAOYSA-N 482.585 2.734 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@](C)(O)CC)CC1 1705651217 NYYKDVUAVBIALZ-RUZDIDTESA-N 453.587 2.601 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NCC)CC1 1705696460 NXYLTWWWSPDGDS-AZUAARDMSA-N 469.546 2.686 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705737750 YUKWJHDTZXPYJY-QGZVFWFLSA-N 461.513 2.615 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705739228 ZDFUZRFGXUSLPI-UHFFFAOYSA-N 452.519 2.803 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1705755019 KHDVVZLRLCHNEV-HZPDHXFCSA-N 469.970 2.728 30 10 JFEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705831466 SRSHAELBVHZXCH-UHFFFAOYSA-N 464.599 2.820 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@H]1C 1705870921 QLKMRCXWCLJKKA-JPYJTQIMSA-N 459.616 2.925 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1705875662 BPKGTSDMPYKFIU-FPOVZHCZSA-N 485.610 2.524 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705908394 BAEWQLMRTDXKDM-ZIFCJYIRSA-N 474.631 2.842 30 10 JFEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1706228009 BZGMPWNYJYTRLI-NVXHTHCOSA-N 498.653 2.628 30 10 JFEE CCN(CCCn1c(Cc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1710142275 FQSACOAGHJUWJI-JOCHJYFZSA-N 462.595 2.810 30 10 JFEE CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C 1710152585 CMYXVCVYNLSWPM-UHFFFAOYSA-N 465.581 2.746 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1c(F)cccc1F)N(C)C 1722285685 YMXXHFLLARIJML-MAUKXSAKSA-N 453.497 2.964 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722299661 RMPHAYASQWQJPC-OKZBNKHCSA-N 458.632 2.615 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@](C)(CC)O2)c1 1722310031 REBFWOISHHLBQW-QVNIBDNGSA-N 499.637 2.584 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCCC1 1722400302 MDFKULHBFDBMRY-UHFFFAOYSA-N 482.629 2.901 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(C)c1C 1722418365 NZRGUZALMPPLJR-XMMPIXPASA-N 452.534 2.799 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(OC)CCOC1 1722419588 ASLOBXCVBBOQDR-OAQYLSRUSA-N 479.375 2.608 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C2CC2)N(C)C)CC1 1722433436 VJMJARQROYFYEF-FQEVSTJZSA-N 475.410 2.942 30 10 JFEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1722455012 IFKUQRHKQVYLAX-UHFFFAOYSA-N 485.061 2.978 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722490552 APTJTYRBOXPXNM-NNLJWKLDSA-N 499.612 2.749 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722551973 KBRRHQKGJHWKAJ-UHFFFAOYSA-N 479.919 2.751 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)CC1 1722560079 PHKVRMLMFHADMD-LLVKDONJSA-N 450.512 2.568 30 10 JFEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C)C(=O)C1 1722624089 SBVQRXFDLMUCGK-UHFFFAOYSA-N 464.364 2.587 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1722728276 OWUCRYLUKJMBSI-UHFFFAOYSA-N 455.625 2.667 30 10 JFEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722733851 OMTIMXVMFJPAQQ-XXBNENTESA-N 479.654 2.725 30 10 JFEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1723632134 BGGYPILOJPKCJR-UHFFFAOYSA-N 453.591 2.564 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1729408521 FUEAJZHUYVNRCZ-UHFFFAOYSA-N 498.385 2.793 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1731180529 FNYLIGZGQILMTO-MRXNPFEDSA-N 456.419 2.925 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1740538785 JZKDZNWCADBWSL-UFYCRDLUSA-N 472.659 2.774 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1740566865 KKAOIVZNDUDTGF-YWNPBTLJSA-N 463.648 2.866 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740580830 JJJVXPULEGLDGY-JOCHJYFZSA-N 496.015 2.994 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1740608890 FHOBSXFEMUXLFB-GOSISDBHSA-N 468.606 2.777 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740620359 WCGGUNSIRVCJGY-IBGZPJMESA-N 459.616 2.738 30 10 JFEE C#CCN(c1nnc(-c2ccccc2C)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1740621417 XFQMTKSAEYFBHO-SFHVURJKSA-N 455.609 2.970 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(Cl)c2)CC1 1740700829 JOUGRMIKPSRPRD-UHFFFAOYSA-N 471.005 2.864 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCC2CCCC2)CC1 1740702956 BUFHAVLGFIULSX-VWLOTQADSA-N 457.619 2.866 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Br)cs1 1740709124 JWJUNGHJBTWTEG-LBPRGKRZSA-N 492.490 2.715 30 10 JFEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740721568 MSEIHLOKQCJWSF-GOSISDBHSA-N 469.032 2.890 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740722426 ITJSINBVDXTAOK-QGZVFWFLSA-N 456.490 3.000 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740759780 DWERMOQOUWIRRJ-BBWFWOEESA-N 461.504 2.786 30 10 JFEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740784403 FJRRRYRMIAOOEI-OAQYLSRUSA-N 477.613 2.828 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3C)CC2)C1 1740973349 WCLIFJLQPHQZHJ-OALUTQOASA-N 459.616 2.710 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740989459 NMZODOQFOAJOAF-UHFFFAOYSA-N 492.646 2.688 30 10 JFEE C=CCSCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1741005557 YTSQMNQWYPJKRR-WIYYLYMNSA-N 472.677 2.641 30 10 JFEE C[C@@](O)(Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1741950044 BMJBNJAVFRRGMI-OXQOHEQNSA-N 458.316 2.937 30 10 JFEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1746602112 BGYVQXAKMMCDAU-UHFFFAOYSA-N 479.629 2.766 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1748657582 FLGGTKVKSXVGKJ-HNNXBMFYSA-N 489.623 2.769 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)c1 1748691199 AFKJVRDDWOCFJI-VWLOTQADSA-N 482.654 2.666 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1748805507 SUSRLQXXMSLMJM-KRWDZBQOSA-N 475.368 2.976 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1nccnc1C 1748847303 RCHZBRJXPYRTJP-FQEVSTJZSA-N 463.586 2.807 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc2cccc(Cl)c2n1C 1748875080 ITNHXWIVYQFTKA-KKSFZXQISA-N 452.946 2.663 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1748886278 DFXVSEHUVIZENV-UHFFFAOYSA-N 488.592 2.581 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC(=O)N2CCCCC2)CC1 1748985027 ZOABGQMHNYWCEH-UHFFFAOYSA-N 480.613 2.510 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)COC)CC1 1749018645 BTCYLLRUADUKFP-QGZVFWFLSA-N 459.978 2.759 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749368464 JZTVNCLCBNXMJG-ROUUACIJSA-N 497.662 2.812 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)OC)CC1 1749725295 RGGBWMUMXHMZKC-IBGZPJMESA-N 491.614 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnc(C(C)C)nc1 1749730535 HUHWUWPEHSNBFW-UHFFFAOYSA-N 455.588 2.799 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749755899 NTJJXTAXBYFDOD-NHCUHLMSSA-N 476.691 2.614 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1760095870 AYQIIQHDLZVJTF-HXUWFJFHSA-N 473.581 2.885 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1760183139 MWRMRTCWYBZGQV-NHCICSSKSA-N 472.611 2.928 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760187218 UHMAGFMJVRGWEX-UGKGYDQZSA-N 490.073 2.881 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC[C@@H]1C 1760200437 IXKRPTGWYVFWEJ-FQEVSTJZSA-N 467.643 2.576 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCNC(=O)C(C)C)CC1 1760259004 WRDZGJVUFJCINV-UHFFFAOYSA-N 473.419 2.625 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(N(C)C)CCC2)CC1 1760260706 CLHKEBFMSHOHCS-UHFFFAOYSA-N 487.446 2.859 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC=CCC2)CC1 1760265543 DGVJAFNZSPIEQF-NLFFAJNJSA-N 455.603 2.641 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1760265697 HPKPKMAXJQSHAW-FQEVSTJZSA-N 476.625 2.928 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OCCOC)CC1 1760269958 QKHOSZPLVDTUJK-QHCPKHFHSA-N 481.597 2.559 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCNC(C)=O)Cc1ccsc1 1760313266 LQRLCNBXVNGAJJ-NHCUHLMSSA-N 486.642 2.700 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760348815 MZACBFCHGPMALG-SJORKVTESA-N 453.609 2.940 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760357210 GQUKASVOFLXDDW-GOSISDBHSA-N 481.523 2.812 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1760505761 IURVJXRTJMCNFR-UXHICEINSA-N 478.638 2.710 30 10 JFEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760512853 RSMUVOLTPIRCDL-WOJBJXKFSA-N 470.593 2.809 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1760514708 LLGKKOLWFCFFHI-GOSISDBHSA-N 477.034 2.742 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760551714 PIJFJNRZQBQKRE-LJQANCHMSA-N 492.045 2.942 30 10 JFEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)c1 1761729014 HFMIZSYSYPDMRD-FCHUYYIVSA-N 468.602 2.560 30 10 JFEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1)OC 1762415005 AVECZNPBWRWGIP-QFIPXVFZSA-N 468.602 2.702 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCCC1)C1CCN(S(C)(=O)=O)CC1 1766959098 BYVXNMBEFOKNMN-UHFFFAOYSA-N 499.685 2.941 30 10 JFEE CN(C(=O)c1cccc(C#N)c1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cn1 1858270287 WNMKECWGMNDURM-UHFFFAOYSA-N 461.503 2.550 30 10 JFEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1O 1862564932 MILZIMQVJUQGJP-JXFKEZNVSA-N 454.479 2.749 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862741274 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1871538592 IKWSKQBFVLVIMK-UHFFFAOYSA-N 476.537 2.866 30 10 JFEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871592055 YVBFDFAWZFTWCD-UHFFFAOYSA-N 460.542 2.909 30 10 JFEE COC(=O)CSc1nnc(COc2ccccc2OC)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874291044 KBIFGTMARPIDTP-FOKLQQMPSA-N 488.522 2.736 30 10 JFEE COC(=O)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874307399 VPPZHIDAYIDUPJ-WSDLNYQXSA-N 471.495 2.833 30 10 JFEE COC(=O)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1cccc(OC)c1O 1874313725 KNPMRTUBFLUUDQ-YDZHTSKRSA-N 456.524 2.933 30 10 JFEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2cccc(C)c2)cc(OC)c1O 1874432231 ULMOEZOSLKKJBQ-OPEKNORGSA-N 498.565 2.558 30 10 JFEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SCC(N)=O)ccc1OCC(=O)N(CC)CC 1874488331 QTKHMNAQOHSBDC-DHRITJCHSA-N 490.630 2.582 30 10 JFEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C[C@@H](O)C1(C)C 1879110092 UXWMBYVFWDPLCB-MWTRTKDXSA-N 450.385 2.831 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C[C@H]21 2135132415 UQYDHKJBZJIVDY-CIAFKFPVSA-N 454.571 2.637 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C[C@@H]21 2135132423 UQYDHKJBZJIVDY-YUMYIRISSA-N 454.571 2.637 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2180982006 ZDVVOOUHHNQRCF-FGTMMUONSA-N 462.327 2.698 30 10 JFEE CC1(C)OB(c2ccc(C(=O)NC3CC(NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2247857119 QVDGFEDWGPITQZ-UHFFFAOYSA-N 451.332 2.568 30 10 JFEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255645798 ROUNXOVQJATCDG-ZIAGYGMSSA-N 451.398 2.818 30 10 JFEE C[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2255652635 XLYMHHWTNWCUIV-KGLIPLIRSA-N 451.398 2.818 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255652785 ZGAMZCDELPQFOV-UONOGXRCSA-N 451.398 2.866 30 10 JFEE CC1(C)OB(c2cc(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)cs2)OC1(C)C 2255704964 OHXWUUNXZRWNRG-IBGZPJMESA-N 486.399 2.815 30 10 JFEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255803742 SRZZYPMHQZKECA-ZFWWWQNUSA-N 451.398 2.818 30 10 JFEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255841461 CEECGZKCAFRJEZ-UONOGXRCSA-N 451.398 2.960 30 10 JFEE CC(C)N(CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255947958 HCGYNTLBZYACKR-UHFFFAOYSA-N 474.454 2.971 30 10 JFEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255948453 MLNDALZTCQUWGA-ZFWWWQNUSA-N 472.438 2.629 30 10 JFEE CC[C@@](COC)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256625135 RXUYJNNMXPAIJD-FQEVSTJZSA-N 455.386 2.701 30 10 JFEE COC(=O)[C@H]1C[C@@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OCc1ccccc1 2266706956 LRFWQTIZMYUMIX-RTBURBONSA-N 482.342 2.712 30 10 JFEE Cc1csc(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)c1B1OC(C)(C)C(C)(C)O1 2267151976 KILDBJPARVYMIO-UHFFFAOYSA-N 463.369 2.751 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267358263 DNSNYSVFWMTQQK-LSDHHAIUSA-N 486.465 2.795 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)CNC(=O)OC(C)(C)C 2267362293 PMZLEUYROFMCNS-OAHLLOKOSA-N 468.425 2.733 30 10 JFEE C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1C(=O)OC(C)(C)C 2267379948 XRSUJNKGHQRDBG-HUUCEWRRSA-N 486.465 2.971 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C 2267522580 XUWVTQGDGMGDRG-AWEZNQCLSA-N 468.425 2.703 30 10 JFEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267719700 FCKQNJPZWOTCCQ-PGRDOPGGSA-N 456.417 2.785 30 10 JFEE CN(C(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267720123 IIOYRXBXPLURJG-UHFFFAOYSA-N 468.425 2.910 30 10 JFEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268638371 IRCJRIVKIMCDCL-RHSMWYFYSA-N 466.409 2.688 30 10 JFEE 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C[C@@H](CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1542096197 FQRRXQCTDFIKOH-HNNXBMFYSA-N 454.552 2.815 30 10 JFEE COCCNC(=O)[C@H]1CN(C(=O)C2CCCC2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368154 YSRCKRRLGVNLQP-LJQANCHMSA-N 452.477 2.547 30 10 JFEE COc1ccc2c(c1)CCC[C@@H]2Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1554986051 GOIVCCHHYIPCPT-JFIYKMOQSA-N 460.604 2.755 30 10 JFEE CN(C)c1cc(C#N)cc(C(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)c1 1585707781 IFPSVJCSPYXUFB-IBGZPJMESA-N 457.575 2.650 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1587631685 FHQDBGQLAZCERP-ROUUACIJSA-N 479.647 2.818 30 10 JFEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1588059773 UTIDJKSIDAPPDI-PXNSSMCTSA-N 476.624 2.561 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1588445948 UWWTULQRXIZMCK-MRXNPFEDSA-N 481.416 2.904 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(Cl)c(OC)c2)CC1 1588733742 ZCKHRGGVMSMJTI-UHFFFAOYSA-N 473.021 2.856 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2.517 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1C(F)(F)F 1741130760 BJRNKEXBYRCTSD-OCCSQVGLSA-N 459.469 2.982 30 10 JFEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1)C(C)C 1746318745 BPRDVFISMNLTQE-FQEVSTJZSA-N 450.547 2.816 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCS2)c1 1748689585 DMTKBHXGZCQVBG-LJQANCHMSA-N 475.578 2.877 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1748707019 YGBRVEBXAUJFJN-UHFFFAOYSA-N 450.996 2.563 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1748820636 GMPIUBCPYQKGLT-IBGZPJMESA-N 485.635 2.641 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1748820706 HUPRQIHYFYGHCS-IBGZPJMESA-N 455.584 2.792 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2oc(CC)nc2C)CC1 1749003625 PRDBMCYZPQOHAG-UHFFFAOYSA-N 477.525 2.726 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cccs2)CC1 1749019541 YRFGOBSDSYFSAM-UHFFFAOYSA-N 465.579 2.941 30 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CGHQQBAJVPUMGK-NRFANRHFSA-N 477.594 2.686 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@H](C)C1 1749655793 SFFNXSRHYYXFBG-BETUJISGSA-N 452.328 2.763 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nncn2CC)C1 1749718876 JIVUCSFDZDKTMI-ROUUACIJSA-N 472.594 2.791 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1749730860 SVWCAEOTTPYVEA-UTKZUKDTSA-N 468.583 2.932 30 10 JFEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749747026 SMFFIKQVRKOCLK-UHFFFAOYSA-N 454.600 2.947 30 10 JFEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749761211 XTOXCFSELQUVTD-LJQANCHMSA-N 461.613 2.661 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC(F)F 1760099185 ZFCAZCVRBLDLMG-RYUDHWBXSA-N 461.922 2.649 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1760111058 JUCXYYUIWNRGAQ-ROUUACIJSA-N 463.586 2.685 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCC(C)CC2)c1 1760128331 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GGCHTELVEJSMCC-LPYMAVHISA-N 473.511 2.857 30 10 JFEE COc1ccc(CCc2nnc(SCCO)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1874308927 VLVSWIWXYFUOCF-OEAKJJBVSA-N 485.522 2.718 30 10 JFEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cc(Cl)ccc2O)o1 1874433014 IZJXZMQAHKPWJA-GZIVZEMBSA-N 463.903 2.827 30 10 JFEE CCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874506968 FJIZXPSJLPLYIC-FOKLQQMPSA-N 459.528 2.837 30 10 JFEE Cc1ncnc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)c1F 1889582862 NEALOCPLOBHBJR-FGZHOGPDSA-N 482.585 2.538 30 10 JFEE CCOc1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890390631 KFLHPGHHUICIRG-UHFFFAOYSA-N 457.615 2.501 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2131347162 RHWGSVCIRVUXMV-HTBDUDNFSA-N 450.385 2.999 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2131347171 RHWGSVCIRVUXMV-RXYDEIHYSA-N 450.385 2.999 30 10 JFEE 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2.638 30 10 JFEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1 1359051499 YPXQZWQRUVWKLC-HXUWFJFHSA-N 478.416 2.784 30 10 JFEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)(=O)CC1 1359087440 GCDIXDNVYYBWBC-UHFFFAOYSA-N 455.378 2.617 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1359090163 VUUOEDCVUAOLGD-IRFCIJBXSA-N 466.586 2.830 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1359092898 HMYNKNVNYLUCCQ-XXHMAFKTSA-N 477.407 2.729 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359099122 KFIWCCRSHFRALR-ZVDOUQERSA-N 465.664 2.852 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)C1 1359103565 PVPMXOGEERTSMX-PGRDOPGGSA-N 486.642 2.555 30 10 JFEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C)c1ccccc1 1359194895 CXFGGGFTRJZAPG-VLCRHTCISA-N 471.627 2.597 30 10 JFEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359284750 KFXVTCBGJFJCER-UHFFFAOYSA-N 479.810 2.948 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1 1359291917 DUVNRKCOOWNSKD-MRXNPFEDSA-N 461.538 2.695 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359294988 LJKJWGUKNQRNJL-CALCHBBNSA-N 491.434 2.555 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359295190 SUOWXLRRJDOXQO-KRWDZBQOSA-N 450.543 2.687 30 10 JFEE C=CCOc1ccc(Cn2c(N3CCN(CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cc1 1359308269 JBOJLGVXWSZGLB-UHFFFAOYSA-N 466.630 2.933 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccco2)N(C)C)C1 1359312094 NMSOZYJOSBEQFU-ROUUACIJSA-N 451.531 2.603 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCCCC2)C1 1359321824 MCXNYJIJHUTCSY-MOPGFXCFSA-N 452.621 2.558 30 10 JFEE C[C@H](CN1CCOCC1)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1360605742 DQIORCHQBWBFGD-MJGOQNOKSA-N 477.034 2.921 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(C)cc3OCC(=O)N(C)C)ccc2c1=O 1442114829 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1507717026 XTCSUIOKHKTFGM-QHCPKHFHSA-N 498.075 2.737 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2C(F)(F)F)CC1 1507727666 RUUZKXDYSZEVAN-UHFFFAOYSA-N 457.504 2.962 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1507739466 IBHUJMZBRNGANS-UHFFFAOYSA-N 495.628 2.853 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507799220 VONKOBLBAKJVDI-WOILTVAASA-N 499.612 2.915 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507962268 PASQQIPFHBWMHA-UHFFFAOYSA-N 455.588 2.604 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1508022092 WIUVPEMAYWKPTJ-SJORKVTESA-N 453.609 2.662 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1508073890 ZEGZXXLZLOBISD-UHFFFAOYSA-N 487.004 2.561 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1508076298 YYMRBZVROVLWBG-FGZHOGPDSA-N 463.586 2.533 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(C)=O)CC1 1508076910 WTZQMZDKBXGLOA-KRWDZBQOSA-N 474.993 2.659 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1508084035 FSHZJZJGTMLOBS-UHFFFAOYSA-N 462.554 2.623 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 1508101102 TYGWPWKOUUUETR-DLBZAZTESA-N 458.588 2.550 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2c(F)cc(F)cc2C1 1508142264 RROQYIPRBMSGNX-OAHLLOKOSA-N 452.527 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1508145960 RSKZBUACPXDBOH-QZTJIDSGSA-N 467.636 2.571 30 10 JFEE C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1508429744 AYMIPBSTTXRZEX-OAQYLSRUSA-N 492.672 2.537 30 10 JFEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1509753511 CXROBIFYPLOPPP-IBGZPJMESA-N 497.600 2.604 30 10 JFEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1511216385 FRHGOPILFLDGAQ-IEBWSBKVSA-N 464.492 2.779 30 10 JFEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1513158875 FREMTWNKTOQINY-WZOHSFFVSA-N 468.602 2.843 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)n1 1520238548 FUKVYLLDWKCJED-OAHLLOKOSA-N 452.374 2.737 30 10 JFEE C#CCOc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)cc1 1531785885 JAFIIHMUIBAZBO-DLBZAZTESA-N 454.445 2.692 30 10 JFEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 1539072040 JWSIVOUBBZGKET-OAQYLSRUSA-N 458.584 2.998 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539230456 MRNXGTXATJATOE-LJQANCHMSA-N 489.667 2.867 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCSCCCO 1539368979 GDZIVTILTJNVFE-UHFFFAOYSA-N 451.637 2.968 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)COCc2ccccc2)CC1 1539481762 NXRABIBZAACYHP-ZJSXRUAMSA-N 479.625 2.991 30 10 JFEE C#CCSCCn1c(-c2cnccn2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1539512628 FQPCGJNYLLXJAQ-UHFFFAOYSA-N 452.569 2.838 30 10 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C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1588003292 UXSOXTYRMHEUGE-QFIPXVFZSA-N 450.612 2.994 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC=C)CC1 1588837007 PHZDKCTUBNLGES-HXUWFJFHSA-N 472.634 2.944 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1589599074 AQOGEAXPYQPSCT-IAGOWNOFSA-N 470.640 2.690 30 10 JFEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1594812954 MUYHYHRUFHYCMX-VQTJNVASSA-N 454.575 2.933 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1595161769 LIAJRHMIDDIDDM-HXUWFJFHSA-N 488.639 2.503 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C(N)=O)CCCC2)C1 1595680817 NCDYUNCWTUNZNS-MRXNPFEDSA-N 477.407 2.873 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 1595772943 KGACFTPRAQDEBX-UHFFFAOYSA-N 473.643 2.902 30 10 JFEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1595871319 NJOVCEGESUITRO-XMMPIXPASA-N 481.626 2.686 30 10 JFEE 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2.664 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1690177285 PQEVATKWQQOGRJ-UHFFFAOYSA-N 457.619 2.923 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ncccn2)CC1 1690305944 KZUBSMHZSVXRHF-UHFFFAOYSA-N 465.558 2.672 30 10 JFEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1690506593 TTZFRRVVWLKANQ-UHFFFAOYSA-N 472.615 2.548 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1690680717 ZLJILPLWCGEOFD-FQEVSTJZSA-N 473.624 2.870 30 10 JFEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1690827479 HHYFNWMZHYLDQW-UHFFFAOYSA-N 459.554 2.734 30 10 JFEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1690952769 AKUDDQFDRUDYSX-UHFFFAOYSA-N 465.602 2.567 30 10 JFEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1692666784 FPXXCDNECAPFQS-VWLOTQADSA-N 495.672 2.721 30 10 JFEE CC(C)[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1693745025 BYKMGGOKXRMYAI-IQGLISFBSA-N 478.576 2.792 30 10 JFEE 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464.526 2.794 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286603492 TZKSTLNEFNZOPY-SFHVURJKSA-N 462.476 2.914 30 10 JFEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286704363 RSOICOBQSXNXPZ-QFIPXVFZSA-N 452.603 2.875 30 10 JFEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncccc1N(C)C 1286729897 GHJNAHXHQLVRPO-UHFFFAOYSA-N 460.630 2.774 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1286769123 RHYAJLBNMHFYSU-NWDGAFQWSA-N 464.539 2.934 30 10 JFEE C=CCn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286777944 OZWWMNCDTQRKRW-XMMPIXPASA-N 455.559 2.964 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS[C@H](CC)C1 1286786884 KXLFKBMFLQINRW-QGZVFWFLSA-N 481.626 2.699 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286822777 HKPBCMZOBSGVTH-TZIWHRDSSA-N 460.600 2.772 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@@]1(OCC)CCOC1 1286825599 TWGRBOLOFIXNJK-JOCHJYFZSA-N 481.018 2.747 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C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301313953 JMMPXKMOWJHIAA-IRXDYDNUSA-N 463.579 2.994 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCO[C@@H]1C 1301350271 UWZNTOXWZTVYST-QFWMQHCXSA-N 460.550 2.802 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ncccn2)CC1 1301452031 HWLZXSUPSGNJPS-GOSISDBHSA-N 454.579 2.695 30 10 JFEE CC(C)CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)C(C)C)CCN2C1=O 1303175114 HUXJHASBHODEME-PXDATVDWSA-N 465.602 2.806 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@H](C)N(C)C)CC2)c1C#N 1304730252 BLEINKPMMPRPNF-HKUYNNGSSA-N 495.607 2.748 30 10 JFEE Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1309386088 BPCGQCRSGWSMBB-GHMZBOCLSA-N 450.380 2.856 30 10 JFEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC1 1312128415 GJASZDRFDUJGHT-HXUWFJFHSA-N 455.536 2.668 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1315348041 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464.686 2.855 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359095385 NSOBWVYQAKSGHE-AZUAARDMSA-N 495.049 2.740 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1359106261 ZMTKMSXXYORUKE-DYESRHJHSA-N 478.640 2.795 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCOC[C@H]1OC 1359254078 DOWZEUDYIDAAHD-DENIHFKCSA-N 450.543 2.988 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C1 1359325141 ZECHWEVKQKYNEZ-HXUWFJFHSA-N 469.586 2.537 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccs1 1359342693 CTUSOYFOCTXDQG-IRXDYDNUSA-N 483.685 2.933 30 10 JFEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)cn1 1359408174 FYLBWCMXTIOMMP-UHFFFAOYSA-N 483.536 2.599 30 10 JFEE C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)C1 1462819964 BFVKHBGRULFLAV-CQSZACIVSA-N 454.390 2.980 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)c1 1467734082 NQAHVRHFFHKZCE-MRXNPFEDSA-N 451.367 2.937 30 10 JFEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 1472527689 BPOWKGNHVUEXPU-IBGZPJMESA-N 451.508 2.640 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC2(C1)OCCO2 1507512709 ITFZCKDHPYHZRZ-AEFFLSMTSA-N 457.962 2.863 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)c(C)s1 1507520277 BXZRZRWHJWIDRR-AWEZNQCLSA-N 458.613 2.775 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1507637120 OEUSGYRFQHVFGZ-QHCPKHFHSA-N 483.576 2.844 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1507640360 QINPEDXVLJVAGU-HXUWFJFHSA-N 467.595 2.792 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)N1CCOCC1 1507646272 SPIBKRRBSLRTLC-QGZVFWFLSA-N 472.387 2.510 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1507659163 XUZQNYFYVJMGCT-UHFFFAOYSA-N 470.537 2.530 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1507679607 YLJHTJMTFCRLHV-AREMUKBSSA-N 467.614 2.659 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1NC(=O)CC1(C)C 1507714546 QPYWOPRTUPBFLK-GOSISDBHSA-N 490.402 2.620 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2csc(COC)n2)CC1 1507735921 AZLAMOBFNXXWCL-UHFFFAOYSA-N 464.595 2.871 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc(C(C)(C)C)cs2)CC1 1507736439 PDFBBXLRPWXSAF-QGZVFWFLSA-N 488.658 2.770 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1507739269 DFWZVAVGCWNMJD-OFVILXPXSA-N 450.587 2.577 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507846610 QUERCJLDLZKJTK-UHFFFAOYSA-N 450.518 2.849 30 10 JFEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507846708 USEOMOSPUYFWAR-RUZDIDTESA-N 466.586 2.585 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1508091691 NOPXXUQYBAULPS-LJQANCHMSA-N 456.497 2.903 30 10 JFEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)N1CCCC1 1508871508 DGUMTNDCIOQJRD-GMAHTHKFSA-N 479.629 2.941 30 10 JFEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)c1cccs1 1510231437 BMBUGBHGXXGHQW-QFIPXVFZSA-N 471.608 2.799 30 10 JFEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)s1 1510897180 HDJPGPQPFJDVQC-UHFFFAOYSA-N 486.623 2.665 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)NC1CCCCC1 1513017404 GYHAWOXDJKWYQS-GOSISDBHSA-N 481.649 2.871 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CCOC1 1516127653 CREGVBHIZIMCHF-POGFHVCPSA-N 482.629 2.960 30 10 JFEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)F)CC1 1519229094 GNYNRFPASGBQMQ-UHFFFAOYSA-N 483.523 2.672 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCOC[C@@H]1C 1538992111 LCRVWFZPXBNYAG-HOTGVXAUSA-N 462.392 2.895 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539211396 INCFEOVYKNOIPY-IBGZPJMESA-N 492.045 2.718 30 10 JFEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCc2cc(OC)ccc21)[C@@H]1CCS(=O)(=O)C1 1539231480 SNLAAEFKNULDBP-WOJBJXKFSA-N 472.611 2.570 30 10 JFEE 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2.616 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1589110759 ZGOOQWGHCKEXAH-UHFFFAOYSA-N 477.638 2.530 30 10 JFEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1593600513 NMKIZFZULPGQRD-FQEVSTJZSA-N 460.026 2.801 30 10 JFEE C=C(Cl)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1593932120 FJGWJYCVCXENED-IPJJNNNSSA-N 454.015 2.618 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1595506894 PIQYKPUPCDBWHL-INIZCTEOSA-N 483.491 2.812 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595517057 NQMNRRYSBIGPRK-IBGZPJMESA-N 465.558 2.565 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602532 MNRPRUHPFWGDQO-HBMCJLEFSA-N 496.612 2.929 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1595804885 HMLUQDZEQDIERX-YGKZAACZSA-N 496.580 2.521 30 10 JFEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@@H](C)C1 1595844870 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C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(I)cc1 1705558919 LWRBNHQXTRJPIL-RDJZCZTQSA-N 466.323 2.724 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705563828 GLWVLIWGBIZNLD-HSALFYBXSA-N 473.618 2.831 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(C)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705566541 OZALAAIHOIKSIF-SFHVURJKSA-N 472.521 2.522 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705571931 LPGJRSWSXOEORU-IFMALSPDSA-N 472.611 2.839 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2nccnc2C)CC1 1705646922 TYXWIQZHQYRFJO-UHFFFAOYSA-N 463.973 2.905 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)c1ccccc1 1705676367 YWTYBVTUJJOLJN-JOCHJYFZSA-N 455.609 2.901 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705706629 XVLHFXMBYLYIBN-GGPKGHCWSA-N 478.519 2.750 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1705729430 XZFIHRRVPLCHDJ-GOSISDBHSA-N 464.611 2.750 30 10 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722495581 SHPIZHVIAOSVNZ-LXZKKBNFSA-N 484.420 2.640 30 10 JFEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722524900 XWWDNDGVHKIWPF-UHFFFAOYSA-N 477.613 2.829 30 10 JFEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)n(C)c2=O)CC1 1722579065 IHAABNDSBIDJPJ-UHFFFAOYSA-N 452.584 2.727 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1722587973 GWAURHNPEMDUDF-UXHICEINSA-N 483.679 2.999 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](COC)C2)cc1 1722704210 CYVMXDIGSDBUCZ-PMACEKPBSA-N 460.600 2.656 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CCOC)C1 1722704447 TWZQIEWWWYQWGD-ROUUACIJSA-N 462.595 2.515 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Br)cc2)C1 1722717605 CLJIUESYWHIEJP-HKUYNNGSSA-N 495.443 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc2c(c1)OCO2 1722730631 XUMIEUMLHXSZRZ-UHFFFAOYSA-N 460.581 2.896 30 10 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C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740957041 ZJWRSSBVZPKAKQ-INIZCTEOSA-N 450.509 2.883 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1740961385 AZIGJOIEFUUKMC-UHFFFAOYSA-N 473.553 2.541 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)C1 1740978839 DAZUZBZAJUHANC-OALUTQOASA-N 476.622 2.699 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740995551 PIVHKQSPIBYBEN-QGZVFWFLSA-N 483.635 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)s1 1740995762 WSXQHNCCNSUCSH-UHFFFAOYSA-N 457.379 2.847 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1741002301 HFRCYBRMHXPKOE-LJQANCHMSA-N 494.658 2.813 30 10 JFEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1741630724 FVUIYQRMEVFVOF-UHFFFAOYSA-N 469.590 2.784 30 10 JFEE Cc1cc(C)c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c(C)c1 1742099769 DWCOEYPTNQUCPB-ZJSXRUAMSA-N 486.642 2.715 30 10 JFEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 1744284642 HAAXTJDFNFSOOD-FXAWDEMLSA-N 472.615 2.918 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1746882061 BBTHPGDRZWHNGM-XMMPIXPASA-N 472.565 2.809 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1747393723 FVJURIUFNHIMIP-OAHLLOKOSA-N 461.979 2.626 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@H]2OC)c1 1748691581 HIEMGQZAVIJCMZ-HXAGEGRHSA-N 481.597 2.802 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2cc(C)oc2C)c1 1748692812 OZAYIYPURXSKEG-AREMUKBSSA-N 487.564 2.852 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1748808369 KMPFXWFWQQGPCH-SFHVURJKSA-N 471.970 2.677 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748820831 IVNZCOBVRNSDAP-GMAHTHKFSA-N 486.638 2.658 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCO[C@H]1CCCC[C@H]1C 1748840534 DGVPMNAUGOXTMW-CTNGQTDRSA-N 468.627 2.906 30 10 JFEE COc1ccc(OC(F)F)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1748853691 FEXDJXUUNUYXOG-OYHNWAKOSA-N 495.552 2.969 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1748939190 SPVJGVYENWFCBA-FQEVSTJZSA-N 460.623 2.656 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC(=O)N1 1748950374 MYANYMLYFSARMO-GOSISDBHSA-N 450.568 2.742 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H](C)N2CCCCC2)CC1 1748999140 JVAQUNFVWALEKV-QFIPXVFZSA-N 461.614 2.748 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CC=CCC2)CC1 1749004451 JGDMEUJQKLIVSH-FQEVSTJZSA-N 480.588 2.785 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1749065974 FIRUPKGUWZUSGB-AUSIDOKSSA-N 489.667 2.682 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1749125448 VFIIPOBCDBBKBU-SNRMKQJTSA-N 490.402 2.640 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H](C(N)=O)C1 1749139092 BFTDSHMROMWURR-YDHSSHFGSA-N 469.586 2.939 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1749143423 INRMHMYAMOEDBH-LSDHHAIUSA-N 452.650 2.920 30 10 JFEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749232972 ZRUGLSMFGSIEMQ-UHFFFAOYSA-N 462.554 2.525 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749268795 HHWHPVDGNOLBKU-KRWDZBQOSA-N 466.991 2.555 30 10 JFEE C=CCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1749439586 DFNUUNGQYSSOTN-DEOSSOPVSA-N 455.559 2.564 30 10 JFEE C=CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749440367 YUSBDMGYJQFGNY-YKSBVNFPSA-N 460.623 2.867 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1749536109 ABRLNHLEPDYIFP-NVXWUHKLSA-N 455.531 2.505 30 10 JFEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)CC1 1749969233 DMCLFHJMQIWVMC-UHFFFAOYSA-N 465.583 2.841 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CN(CC(C)C)CCO1 1760101771 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C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1760289856 SMMMECKZUHVJSQ-CJFMBICVSA-N 484.670 2.915 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760352639 UMYOTMVUNKQLEI-QUCCMNQESA-N 468.558 2.675 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(F)cccc2Cl)CC1 1760402527 MIHBAWAUSMJZOR-IBGZPJMESA-N 483.997 2.854 30 10 JFEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1760412269 IXDSVNBFJVIOIX-MRXNPFEDSA-N 461.579 2.695 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760512498 MSHYEHHMLCTXPI-KRWDZBQOSA-N 462.392 2.964 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1760518406 UGEXGOGSEOEPGD-UHFFFAOYSA-N 482.932 2.531 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1760532278 QSTMBCWAONJSMV-VGOFRKELSA-N 477.656 2.835 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](C)C1 1760551613 MBYFLOSJQVVEHD-GASCZTMLSA-N 454.980 2.822 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C#N)c1 1760556858 RVWKKBQWOLJKTH-UHFFFAOYSA-N 475.578 2.625 30 10 JFEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1763095603 HYTRPDUYRACBKF-KRWDZBQOSA-N 485.637 2.584 30 10 JFEE CCN1CCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1765435848 BFAHNUCVTREIOQ-DLBZAZTESA-N 475.391 2.929 30 10 JFEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)CCO1 1765653938 HLXFLYSIMHUBSW-MFMCRYCZSA-N 455.559 2.664 30 10 JFEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)ccc1OC(C)C 1769798227 GZHOGKBVKOMJOU-IRXDYDNUSA-N 461.588 2.914 30 10 JFEE COc1ccc(-c2cc(O)nc(N3CCCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)cc1 1858582686 UWPMJHAENIBKDW-UHFFFAOYSA-N 465.535 2.630 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)OCCOCC)cc21 1858708554 UOZSRDHOHNTXNJ-UHFFFAOYSA-N 455.467 2.840 30 10 JFEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 1860935150 YIDIXDQOGZUHMQ-GOTSBHOMSA-N 457.615 2.977 30 10 JFEE 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30 10 JFEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OCC)cc1 1874435317 ZBIDEIKAHGXDGK-ZVHZXABRSA-N 460.604 2.936 30 10 JFEE O=C(CSc1nnc([C@H]2CCCO2)n1/N=C/c1cccc([N+](=O)[O-])c1)NCc1ccco1 1874444730 JKLDHDXIQGGJPN-ZTBJCTOSSA-N 456.484 2.922 30 10 JFEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)[C@H]1c1ccc(C#N)cc1 1891756414 QODVDNNZUUPOJA-FGZHOGPDSA-N 497.531 2.522 30 10 JFEE CN(CC(=O)N1CCC(COc2cc(C#N)ccn2)CC1)c1nc2c(S(C)(=O)=O)cccc2s1 1891901164 MYDNURKLEYACNW-UHFFFAOYSA-N 499.618 2.720 30 10 JFEE CC1(C)OB(C2=CCC[C@H]2NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)OC1(C)C 2020067567 IUCQKEZHCQPKRP-LJQANCHMSA-N 474.388 2.702 30 10 JFEE C=CC[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 2059567214 WMLRTSCVTNTVQQ-DFFLPILJSA-N 455.552 2.720 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2124536070 ZLGQJYSXYNZZIV-FIEAQMJYSA-N 450.385 2.689 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 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CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255841741 HJJXEXNBNLGEMG-LLVKDONJSA-N 465.303 2.628 30 10 JFEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCN3Cc3ccccc3)c2)OC1(C)C 2255950347 LWSNYGDRIASKFW-LJQANCHMSA-N 462.446 2.990 30 10 JFEE CC=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256623213 PRXBQCBHGWUCJH-CQSZACIVSA-N 451.398 2.918 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCO1 2266072441 MZNRZMPRYCXWPL-HOCLYGCPSA-N 451.348 2.638 30 10 JFEE C[C@H](C[S@@](C)(=O)=NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2266993890 NVRDJQLDVVOWTI-ORCIVFGKSA-N 467.397 2.532 30 10 JFEE Cc1sc(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2267118646 LYFUPRXAHMFOAW-BXUZGUMPSA-N 460.327 2.885 30 10 JFEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267196964 IETZXCWJSIIYAL-QLFBSQMISA-N 463.409 2.770 30 10 JFEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267375100 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C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)CO2)C1 2281223064 JZVAWHJYVPGCKA-SGKRCEGKSA-N 477.602 2.968 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282023561 OYYLLPNLDVRSSR-KRWDZBQOSA-N 460.384 2.637 30 10 JFEE CC1(C)OB(c2cc(C(=O)N3[C@H]4CCC[C@H]3CN(Cc3ccccc3)CC4)[nH]n2)OC1(C)C 2282065848 DSJSHHXHNDTTAD-PMACEKPBSA-N 450.392 2.978 30 10 JFEE Cc1cc(S(=O)(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2282305224 VSBLYNHKAKXPQH-HJPURHCSSA-N 478.420 2.582 30 10 JFEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282309072 ZTFHEGFMILADPE-UHFFFAOYSA-N 480.436 2.972 30 10 JFEE Cc1sc(C)c(S(=O)(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282419491 PMFBODWZBGQPHB-IVZQSRNASA-N 498.476 2.952 30 10 JFEE CCc1nn(C)c(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2282557496 WCHBGMDJEJQWKO-LJQANCHMSA-N 453.392 2.961 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C12CC2 2282667948 WMVUPDMSFVQBQW-MRXNPFEDSA-N 457.380 2.900 30 10 JFEE CC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN(Cc2ccccc2)CC1 2283070459 WPNPPTSMHUFXHO-UHFFFAOYSA-N 450.392 2.808 30 10 JFEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283957346 PAPMTGXDLQGDLN-BEFAXECRSA-N 460.380 2.539 30 10 JFEE Cc1cc(CNC(=O)[C@]2(CO)CCCN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2283962022 CMTSHJMPUXBOIW-HSZRJFAPSA-N 480.436 2.734 30 10 JFEE Cc1cc(NC(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2284055683 XMYPJJOMDZWRHW-QGZVFWFLSA-N 464.343 2.553 30 10 JFEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2285280640 LHXJUJRTWBMZRO-LJQANCHMSA-N 460.380 2.628 30 10 JFEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1F 2296619702 PIXMFMSGUDZUIJ-OAQYLSRUSA-N 458.486 2.835 30 10 JFEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)cc1F 2296625779 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KFQPLRODCKLKKB-UHFFFAOYSA-N 482.566 2.853 30 10 JFEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CC(B3OC(C)(C)C(C)(C)O3)=CCC2(C)C)C1 2337330940 VNZNSKDSWMARGT-UHFFFAOYSA-N 450.385 2.973 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2362336212 DDMNOMLFVOWKCJ-QHCPKHFHSA-N 462.400 2.629 30 10 JFEE CC(C)[C@H](C)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2362357341 YURDGQJNHOVPBE-HOTGVXAUSA-N 464.416 2.635 30 10 JFEE COCCN(CC(=O)Nc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2365287063 UBUUCWFEMJHHJT-UHFFFAOYSA-N 464.368 2.816 30 10 JFEE COc1ccc(NC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365288320 LYECBKUVLDTONJ-QGZVFWFLSA-N 462.352 2.569 30 10 JFEE COc1ccc(NC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365290191 LYECBKUVLDTONJ-QGZVFWFLSA-N 462.352 2.569 30 10 JFEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2366673771 DMFKQEBMSLCTDK-MELADBBJSA-N 480.802 2.500 30 10 JFEE O=C(O)CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F 16741180 QSSVANJFJPZITM-CQIAGOGUSA-N 450.460 2.562 30 10 JFEE COc1ccc(NC(=O)CCSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)[nH]2)cc1 21075544 PZEJYWHBSOBCSF-RGVLZGJSSA-N 457.472 2.994 30 10 JFEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/C=C/c3ccccc3)n2)cc1 21078974 KPFVMOKCGWVEFQ-HSRIELGNSA-N 485.595 2.945 30 10 JFEE CCCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39769713 RPLPRCDKTWQPHG-XMHGGMMESA-N 490.651 2.903 30 10 JFEE COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)cc1OC 39843357 LCLMWLHCELNIIS-LASGFXPTSA-N 457.468 2.562 30 10 JFEE CN(C)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cc1 59005096 RBORNMRQCDEGPE-WSDLNYQXSA-N 453.528 2.819 30 10 JFEE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2nnc(SCC(C)C)s2)n[nH]1 59309965 HGOXSIQXQNRQHN-NGYBGAFCSA-N 480.649 2.931 30 10 JFEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3sc(C(=O)OCC)c(C)c3C#N)n[nH]2)cn1 59831905 WTMNTTHCWDMKRB-GZIVZEMBSA-N 499.582 2.782 30 10 JFEE C[C@@H]([C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C)[C@H](O)CCC(C)(C)O 257556552 UPEZCKBFRMILAV-HLSCIPKWSA-N 464.643 2.739 30 10 JFEE biogenic N#Cc1cc(C(=O)O)ccc1-n1cnc(I)c1I 385535789 KXNLKPBGURNGGW-UHFFFAOYSA-N 464.988 2.651 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)[C@@H](C)C(=O)Nc3ccc(OCC)cc3)cc21 586281174 SDZHSZUCQUQUTD-AESQFQPQSA-N 470.547 2.955 30 10 JFEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)c3ccc(OC)cc3OC)cc21 586362265 UJQHLMLHUFWJNL-YHOYWCJOSA-N 471.531 2.818 30 10 JFEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCc1cccnc1 727814441 STDVNYJPQLCJCN-UHFFFAOYSA-N 482.949 2.837 30 10 JFEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 922395981 GDYBPVOGMNYTSO-CHWWFWEZSA-N 489.516 2.846 30 10 JFEE COc1cccc(C=NNc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)c1O 1084315316 AXVJWLPSIUDAJI-UHFFFAOYSA-N 455.500 2.654 30 10 JFEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)c(OC)c3)n2)cc1 1084453878 LHNFAYJPYOVABC-UHFFFAOYSA-N 456.528 2.685 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1286386335 YRBQSGBYEHVBTF-STZQEDGTSA-N 499.637 2.584 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1286388380 OGEDXVZLIUBEAB-AZUAARDMSA-N 460.625 2.866 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286388982 DIDINJNMTIZICR-SFHVURJKSA-N 457.531 2.508 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286391080 GBCZUOPZWRSFTP-IFXJQAMLSA-N 488.639 2.669 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286392073 KQLUOIYBIJJVDF-UXHICEINSA-N 456.612 2.745 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286393469 LGFFXNXABJMBTP-HKUYNNGSSA-N 482.528 2.866 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2COCCC)CC1 1286469476 GTAWJJAKIHMTPC-UHFFFAOYSA-N 473.581 2.656 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2nccnc2C)CC1 1286470796 CGYZQEFLACRANP-OAQYLSRUSA-N 475.597 2.913 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1286491966 BVAILHJEMLPEDJ-XZOQPEGZSA-N 470.662 2.648 30 10 JFEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1286535715 FKHGRBISYJWTRK-KRWDZBQOSA-N 452.401 2.524 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286585453 HYYZMSZJDNLZBM-RTBURBONSA-N 493.605 2.764 30 10 JFEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286603445 SUBPPIAJVFECFP-UHFFFAOYSA-N 462.558 2.813 30 10 JFEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1286616745 CDVLXSFFOFQFGO-QFIPXVFZSA-N 453.587 2.865 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1286619830 DGWWQHNGYYGQSY-UKRRQHHQSA-N 453.952 2.711 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286791874 GANHKBXUDBYUBN-APWZRJJASA-N 488.564 2.648 30 10 JFEE C#CCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@H]1CCOc2ccc(Br)cc21 1293514055 YBLMRDNUJWHLIW-KRWDZBQOSA-N 454.280 2.578 30 10 JFEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)C(C)C 1295865100 BIZUUDDKOZATGY-CPJSRVTESA-N 468.602 2.843 30 10 JFEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1298178646 RJZNXJVXDUAYPL-VJBWXMMDSA-N 463.534 2.619 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)on2)c1 1300331344 JLUUVCQYFMMMJF-VWLOTQADSA-N 478.553 2.720 30 10 JFEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1300382329 QHQIYWNWWAAXGV-UHFFFAOYSA-N 464.614 2.810 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCc2sccc2C1)[C@@H]1CCS(=O)(=O)C1 1300483358 JLUZQQJBCATJAG-PKOBYXMFSA-N 461.657 2.538 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1300501305 JAYMGYMQIHYEOQ-SFHVURJKSA-N 488.411 2.816 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCOCC1 1300641422 FQBOMLZGDQMVOC-QHCPKHFHSA-N 482.604 2.650 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCCC1 1300658249 ZSRUUVWUKZLTOY-UHFFFAOYSA-N 460.376 2.839 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC(C)C)cc1 1300663631 GGWMEQRSCAVTIQ-UHFFFAOYSA-N 451.527 2.927 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1300688733 KTMYXOZYGZOSKG-IBGZPJMESA-N 468.602 2.870 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1300695745 ICSWMMNNODUBDH-DEOSSOPVSA-N 459.598 2.715 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1300709942 MBGNGUDSESSSNS-PXDATVDWSA-N 465.598 2.992 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(F)c(F)c2)CC1 1300719532 FGGURCDMFYLSQA-UHFFFAOYSA-N 450.493 2.827 30 10 JFEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300769667 HYFXKHWPJYOKIU-JOCHJYFZSA-N 477.594 2.889 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1300889354 BWRVTESZQLGBOY-FYYLOGMGSA-N 463.586 2.856 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1300952345 RXVUSZLCBKDBDD-RTBURBONSA-N 476.622 2.856 30 10 JFEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F)C1CC1 1301327823 YJLUCOXUPVINKT-INIZCTEOSA-N 491.561 2.894 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301458212 PFTQUXLRFVRRFL-OAQYLSRUSA-N 496.612 2.664 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1301565404 CBCQVGYFTCPAKE-IFMALSPDSA-N 474.627 2.678 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1301585589 ABZSVDRKZBMRDL-LJQANCHMSA-N 455.559 2.998 30 10 JFEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C 1303329714 HMJAOMBTUCCXAI-UHFFFAOYSA-N 455.563 2.791 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1305627347 HWKFQVLJRWCBHY-SFHVURJKSA-N 478.626 2.900 30 10 JFEE CCC1(CC)[C@H](NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](C)[C@H]1OC 1307743753 CFJPMISNAFZVBO-MAODMQOUSA-N 455.559 2.884 30 10 JFEE C[C@H](NC(=O)Nc1ccc(Br)c(C#N)n1)c1ccc(S(=O)(=O)N(C)C)cc1 1311071516 FFEIAQUHYFGITC-NSHDSACASA-N 452.334 2.849 30 10 JFEE COCCN(C)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1316062564 IBKAUIPLWKSXOG-IEBWSBKVSA-N 458.632 2.828 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@@H](C(F)F)N1CCOCC1 1358890115 LDAIOGVWCDHJAE-ZWOKBUDYSA-N 461.513 2.605 30 10 JFEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358922069 SCFXZUJYQJSSQW-KRWDZBQOSA-N 499.417 2.857 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358955736 SBCLJPQULJKBKM-QHAWAJNXSA-N 463.692 2.960 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1358957800 AMNRXXKAELDQPQ-IBGZPJMESA-N 496.980 2.571 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961233 UVGQNVSNADURGA-VWNXMTODSA-N 494.665 2.776 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966840 XTSOYIUHYWRAPQ-RZUBCFFCSA-N 461.676 2.758 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1359002967 UASMGLPGGYYCLX-QZTJIDSGSA-N 459.616 2.859 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOCC)CC1 1359040033 FUNKWUOMIFHTQN-UHFFFAOYSA-N 466.586 2.540 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1359062328 DCQKAOIWGQTUEK-IRXDYDNUSA-N 463.604 2.716 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1359067103 APYIROMEKUZALZ-RTWAWAEBSA-N 462.367 2.905 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359080292 MQTQBDDXWDESOL-CALCHBBNSA-N 451.321 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359090324 ZBSKIZFIKOSJBF-KURKYZTESA-N 460.604 2.740 30 10 JFEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1359121725 GAUUZUVYCDCJGV-OALUTQOASA-N 451.637 2.669 30 10 JFEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359134817 IFCVEZZQJKVCCU-UHFFFAOYSA-N 451.556 2.762 30 10 JFEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359191114 NXYBGMXIDVIPDA-HXUWFJFHSA-N 468.606 2.509 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCOCC1 1359255854 MSMNDRJDJJSCOZ-UHFFFAOYSA-N 457.538 2.686 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359283979 HKAZNINPHBZFCB-UHFFFAOYSA-N 459.308 2.852 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1360298614 DECUNVWHRNGYAX-IBGZPJMESA-N 471.556 2.899 30 10 JFEE CCOC(=O)c1cc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(C(=O)OCC)c1 1476190171 CVMLNFYVQQIJNL-IBGZPJMESA-N 452.467 2.992 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1494517485 DYPAHNVFMHWSQF-ZRNYENFQSA-N 472.565 2.785 30 10 JFEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CCOC1 1504056694 FQDHZALHNXKRDA-GBXCKJPGSA-N 455.559 2.786 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCN1CCCO 1507541763 IDHZVNBVVHKNPF-PKOBYXMFSA-N 476.419 2.924 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2nc(C)c(C)s2)c1 1507549143 FQEFVVHWBRCTQY-UHFFFAOYSA-N 460.567 2.856 30 10 JFEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507568488 RUKVIOVZFGJVFL-HYBUGGRVSA-N 466.605 2.800 30 10 JFEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507596511 KMRWQINHOVFAKJ-RTBURBONSA-N 451.637 2.518 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1csc(CC)n1 1507615662 AASKYXULHCOQNI-KRWDZBQOSA-N 460.604 2.918 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCC1(O)CCOCC1 1507699729 JXFOPDITWDQWHC-UHFFFAOYSA-N 478.528 2.636 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](OC)C(C)(C)C)CC1 1507735304 RJQNPWCYFXAVQW-JOCHJYFZSA-N 481.597 2.743 30 10 JFEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1507988161 PZTLEXVJFWEWGT-VFNWGFHPSA-N 466.991 2.776 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ncccc2F)CC1 1508091830 OAJQHJRBUOUTEB-UHFFFAOYSA-N 479.560 2.637 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1508118566 XONSEXMMYFJISY-PXDATVDWSA-N 469.586 2.508 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCOCC1 1508160245 DIKWNCJAEPAZJL-FQEVSTJZSA-N 491.683 2.572 30 10 JFEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSC(C)(C)C2)CC1=O 1519217830 DONGWEUIAJQTSF-LJQANCHMSA-N 484.626 2.555 30 10 JFEE C#CC[C@@]1(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CCCN1C(=O)OC(C)(C)C 1528185299 CNMOHTNZCXWKMF-SBUREZEXSA-N 451.564 2.532 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1539044129 YQPZDQKKGDYVHA-FYYLOGMGSA-N 478.597 2.834 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(F)cn2)CC1 1539078594 AMZXRZBOQROCAY-UHFFFAOYSA-N 467.574 2.934 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539212450 OUELHEPPGWXRQM-NRFANRHFSA-N 453.543 2.717 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1539213353 YGNJZDUBHQLDCI-MRXNPFEDSA-N 451.955 2.903 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539217012 ZEHIDEQWFCXHDM-PZJWPPBQSA-N 484.670 2.786 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539219371 JIRZFKWRLJCASO-KNQAVFIVSA-N 490.073 2.881 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1539223964 ANEJQHCGKMTCPD-QGZVFWFLSA-N 450.511 2.507 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1539298963 BSIQRZBUVXSTES-FIPFOOKPSA-N 491.636 2.662 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1539350586 QVNAMABGURZXPL-XXBNENTESA-N 458.584 2.536 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539430204 HHJQIHZNYQXPFY-BHIFYINESA-N 460.667 2.514 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1539430253 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C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1300490058 YQLUJEBRWLNOKZ-KRWDZBQOSA-N 475.958 2.579 30 10 JFEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300495069 CJAURVPIGFJLGZ-RBUKOAKNSA-N 491.658 2.819 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1300574887 OEXFIEYOOIGXBC-AREMUKBSSA-N 474.565 2.504 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@@H]2CCOC2)CC1 1300730984 JFYZMWRBYXADNO-HXUWFJFHSA-N 451.571 2.558 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1300779220 RPNGCHMOIDKWLO-UNMCSNQZSA-N 475.659 2.597 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1300872852 DGROALXQMHMYLU-YSGRDPCXSA-N 475.977 2.540 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1300874458 MNLWBCPOXVCWDW-ZDXQCDESSA-N 469.630 2.945 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300891429 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491.633 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2F)CC1 1540901349 AQYXBMQGHGMMDF-UHFFFAOYSA-N 488.564 2.854 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCNS(C)(=O)=O)C1 1541987669 CVAGWDSDLSSJGU-HSZRJFAPSA-N 484.582 2.796 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1555986243 GKJDIJDABOGFOT-XLIONFOSSA-N 467.954 2.920 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 1583958261 ZTGFKURTBFPHCU-UHFFFAOYSA-N 452.363 2.867 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(C)C)c1 1587692352 CPBHMVGYAVJYOU-IBGZPJMESA-N 454.600 2.675 30 10 JFEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1587754696 JKROQPIGFKABET-GOSISDBHSA-N 484.626 2.909 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1587926665 CSUBNBGEDAZMJE-IEBWSBKVSA-N 479.553 2.820 30 10 JFEE C=CCN(Cc1cccs1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1587928236 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2322398429 UXFTWIOOFLLLMY-UHFFFAOYSA-N 464.518 2.882 30 10 JFEE COc1ccc(N2C[C@H](c3nnc(SCCCO)n3N=Cc3cccn3C)CC2=O)cc1 2325882100 DKDKDVLEPOCRLA-MRXNPFEDSA-N 454.556 2.502 30 10 JFEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(Br)cc1 2328471403 KBONIWOYAMZTDK-UHFFFAOYSA-N 475.328 2.999 30 10 JFEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329035025 YICAYQJSABNZQU-QGZVFWFLSA-N 489.598 2.946 30 10 JFEE Cc1ccc(Cc2nnc(SCCO)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2330036100 RCNHVPQPGXWBEA-UHFFFAOYSA-N 455.496 2.823 30 10 JFEE CN1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H](CNC(=O)C(F)(F)F)C1 2365101264 MXFISHRSPMEILC-MRXNPFEDSA-N 454.302 2.525 30 10 JFEE Cc1cc(CNC(=O)C2(N(C)C(=O)OC(C)(C)C)COC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675341 GXIMFHRMINXQLC-UHFFFAOYSA-N 460.380 2.546 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1C 2380496066 JALIODRNWFHIBC-OAHLLOKOSA-N 462.400 2.546 30 10 JFEE C=C(Cl)COc1cc(CN(C(=O)c2cnsn2)[C@H]2CCCCNC2=O)ccc1OC 12040238 SDMFOSZCVMAUAW-INIZCTEOSA-N 450.948 2.989 30 10 JFEE COc1ccc(-c2nnc(COC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)o2)cc1 18385844 GECXCQKNJJOQMQ-UHFFFAOYSA-N 482.518 2.761 30 10 JFEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc21 33268688 QKIVAFYUPYNJEH-UHFFFAOYSA-N 452.942 2.660 30 10 JFEE COc1cc2c(=O)n(Cc3ccc(C(=O)NCCC(C)C)cc3)c(=O)n(CC#N)c2cc1OC 35428054 DLNLPIAXHJTHQA-UHFFFAOYSA-N 464.522 2.528 30 10 JFEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(N(C)C)cc1 170128657 FXIZKMSRSUKKRH-HSZRJFAPSA-N 464.566 2.721 30 10 JFEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(S(N)(=O)=O)cc4)[C@@H]3c3ccccn3)ccc2O1 170353526 AIPKSRQIUWWHOO-RCDICMHDSA-N 491.525 2.835 30 10 JFEE CC1(C)OC(=O)C([C@@H]2C(=O)C(Br)=C[C@H]2N2CCN(c3ccccc3)CC2)=C(O)O1 198711295 VSEQIBGPOOTEQT-HZPDHXFCSA-N 463.328 2.734 30 10 JFEE N#Cc1nccnc1OC1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 585355740 NDNHDRZWXWNUAS-NXVRBGIVSA-N 484.354 2.970 30 10 JFEE C=CCN(Cc1ccc(C(=O)OC)cc1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586151808 QZCLOODPYRBNOO-UHFFFAOYSA-N 458.536 2.986 30 10 JFEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2)c(F)c1 609256935 NAXUNWOSYCUADR-UHFFFAOYSA-N 499.546 2.844 30 10 JFEE CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)c1ccc(C#N)cc1F 729653606 BTQKKKCQDFBMBM-UHFFFAOYSA-N 487.294 2.829 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc3cnn4ccccc34)c2=O)c1 729672384 LCMGGWFQVWLESP-QGZVFWFLSA-N 452.539 2.646 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O 914936009 IDPVZILOVGYOIV-KRWDZBQOSA-N 479.537 2.698 30 10 JFEE C=CCNC(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1161092341 KLMDCOGLPHYQMK-UHFFFAOYSA-N 451.932 2.572 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2c(C)nn(C)c2C)c1 1286308597 BORNXAYFXKKENH-UHFFFAOYSA-N 454.538 2.795 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286396776 WKXFKNASBZOMNJ-YMPZKCBVSA-N 486.638 2.652 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1286476351 UUNHCHKKLHLGSA-UHFFFAOYSA-N 470.503 2.930 30 10 JFEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286510026 HIOJBHVRLWJRNF-WIYYLYMNSA-N 459.591 2.520 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1286541166 HQDTVLSKPLNNJK-HNNXBMFYSA-N 484.395 2.555 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286549437 FQROUFHYNQLONL-CBQOVEMMSA-N 489.642 2.701 30 10 JFEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286700456 NLBRFYDGLLGEAL-SIKLNZKXSA-N 468.602 2.794 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286823646 WZKOGNKAHJBNTO-SFHVURJKSA-N 459.597 2.584 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1286967742 GKGVGJXNGSZHCR-MIVHDCIWSA-N 462.595 2.528 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)c1 1289465755 FFNIQTMAOLJLJX-RTWAWAEBSA-N 468.602 2.738 30 10 JFEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1294506202 HVZLNNOULLEHAU-UHFFFAOYSA-N 477.617 2.952 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN(C)c1ccccc1 1297287359 BJJOUFSFDDQGJT-FQEVSTJZSA-N 475.601 2.718 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1297705066 AZZRXEOSRYOJMP-INIZCTEOSA-N 458.511 2.756 30 10 JFEE CNC(=O)C(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1298943274 DFEYEDNQMZDAPG-UHFFFAOYSA-N 486.624 2.819 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN(CC)C(=O)OC(C)(C)C 1300319321 AGXWMWMIBWDBBB-INIZCTEOSA-N 460.604 2.985 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1300380649 DWWGNHFJTSFZFT-UHFFFAOYSA-N 463.586 2.958 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300487850 MNDFYBNMJIKCLZ-VQIMIIECSA-N 483.594 2.989 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1300503145 ATRHIMMSUGFVBB-SFTDATJTSA-N 472.611 2.527 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300504833 UEUNHXVOWQXKIV-QHCPKHFHSA-N 499.681 2.977 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1OC 1300578885 JJCAFBCQTLJCTG-SIKLNZKXSA-N 458.566 2.953 30 10 JFEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(Cl)c(OC)c1 1300664731 VBTPRHMNICEIAS-UHFFFAOYSA-N 457.918 2.802 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(CN2CCOCC2)CCCCC1 1300664809 UGMHFEISVXPEBP-UHFFFAOYSA-N 452.603 2.709 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCN2CC)CC1 1300730838 GBANMIYUONLGEQ-OAQYLSRUSA-N 485.032 2.961 30 10 JFEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCOC)CC1 1300989823 RFCNSJXDKXGHAR-UHFFFAOYSA-N 492.665 2.754 30 10 JFEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1301010110 HXPBNUXXNOLBLC-NRFANRHFSA-N 496.612 2.844 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301029069 GGCGBCAHERSILH-QHCPKHFHSA-N 488.976 2.919 30 10 JFEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C(=O)NC 1301149958 JKLAFZDBWQMLSK-INIZCTEOSA-N 461.636 2.659 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1301152157 VKGNKXLXVADSPA-FQEVSTJZSA-N 496.722 2.772 30 10 JFEE C=CCC(C)(C)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301159175 XESQHRKOIQNPTH-AVRDEDQJSA-N 454.637 2.934 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1301257901 GCITYRIMXFIWGD-HXUWFJFHSA-N 488.610 2.578 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1)C1CC1 1301327899 ZTNGLOYSFGUVGJ-OAQYLSRUSA-N 488.633 3.000 30 10 JFEE C=CCn1c(N2CCN(Cc3ccc(OC)c(F)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301474314 YZDMJFXPLNDZER-XMMPIXPASA-N 459.566 2.975 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301490288 QBPBIHSJCVPPTG-IRXDYDNUSA-N 458.563 2.888 30 10 JFEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301615006 DGEPLVMWSYRYNN-NFBKMPQASA-N 498.697 2.786 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC(C)CC2)CC1 1301758395 HWIMGRFXTBPSCF-UHFFFAOYSA-N 479.629 2.909 30 10 JFEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1=O 1303198527 DGMAARFYAZRDKM-NRFANRHFSA-N 466.586 2.993 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](OC)C(C)(C)C 1305784914 ATGMCRMIKWIDPO-PXNSSMCTSA-N 497.648 2.634 30 10 JFEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1306546837 DFMMFRZFJHIUEY-VLCRHTCISA-N 466.586 2.753 30 10 JFEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1313646118 CTGLGYHQACFUSM-UHFFFAOYSA-N 461.570 2.839 30 10 JFEE CCOc1c(OC)cc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)cc1OC 1314156042 DMIDMASMGOIPEF-MRXNPFEDSA-N 456.547 2.717 30 10 JFEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCCO4)n3CC(=O)NCC(F)(F)F)CC2)c(F)c1 1316533827 FPOHVCWOVLDXIT-GOSISDBHSA-N 495.481 2.536 30 10 JFEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358920942 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2.837 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1589394374 DRKGBMIVVGMIPE-SFHVURJKSA-N 459.392 2.768 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1593717664 IISWUCBYJQNLCK-SFHVURJKSA-N 464.588 2.568 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1593746442 FKMQGFRTWIBNMG-LJQANCHMSA-N 497.662 2.514 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@]1(OCC)CCOC1 1593769220 MDAAAUFAKHYFFY-QFIPXVFZSA-N 462.620 2.614 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nncn1C 1595282737 IVPOZSDWUXJGIY-UHFFFAOYSA-N 450.316 2.662 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1595334851 HSLWEZDOLQMSIO-QGZVFWFLSA-N 487.655 2.721 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1595745922 YSNWHQDBLPIUCU-JTHBVZDNSA-N 453.587 2.939 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)C1 1595755498 XORVMPGZOFHNMA-SBUREZEXSA-N 457.600 2.839 30 10 JFEE COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1611188380 HWHZTVDFSJQXEH-QGZVFWFLSA-N 458.312 2.938 30 10 JFEE CO[C@H]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1619484770 FNZVXHGKGBMNRQ-FPOVZHCZSA-N 472.615 2.750 30 10 JFEE C#CCNC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 1626033094 WPNLGMUMJANTLH-UHFFFAOYSA-N 453.564 2.706 30 10 JFEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 1633511261 FYBMEQWZUSVJHZ-OAHLLOKOSA-N 452.536 2.553 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC3CCN(CC)CC3)nnc12 1638398568 JXRUCNGLELNXEH-UHFFFAOYSA-N 454.600 2.561 30 10 JFEE C#CCN(C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1669886677 NJJHVYCLBSTYKZ-XMMPIXPASA-N 453.608 2.911 30 10 JFEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Br)c1 1671214212 AVFBNVMVGQVKMT-IBGZPJMESA-N 458.360 2.731 30 10 JFEE C#CCN(C(=O)NCc1ccc(S(C)(=O)=O)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1681377180 ALAIKLTZPRNCSQ-UHFFFAOYSA-N 455.602 2.696 30 10 JFEE 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C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1749115986 XWCUKIYDAAXGJG-SLFFLAALSA-N 488.633 2.941 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1749136687 QMMJMMATBVNBSR-RCZVLFRGSA-N 467.614 2.730 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749182879 JMMCRGOPEXZDCW-UHFFFAOYSA-N 451.531 2.664 30 10 JFEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749203969 OKXDWAUBKRQEJZ-RHSMWYFYSA-N 465.348 2.556 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2F)CC1 1749210302 GTKHTKXOIUDJQX-UHFFFAOYSA-N 465.533 2.984 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(CC)c2)CC1 1749331842 ZOTAMOZKESSBFB-UHFFFAOYSA-N 469.615 2.863 30 10 JFEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749437680 MESLJHSFCAMYLJ-UHFFFAOYSA-N 480.613 2.657 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1749549053 PFJZNHHRAJMZBY-DHIUTWEWSA-N 461.632 2.639 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1749596411 XRXRSJOCMGOYTC-DYXWJJEUSA-N 486.617 2.947 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C2CCC(NC(C)=O)CC2)cc1 1749684486 YEDFWKJCLNZCDA-QETWGEEDSA-N 466.586 2.726 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1c(F)cccc1Cl 1749731011 YZJSAAHGUNLHGD-UHFFFAOYSA-N 450.927 2.765 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCC2)C1 1750490361 FVHRXEAOAVGWDR-WOJBJXKFSA-N 473.622 2.607 30 10 JFEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1760135436 VXSBFUZPBCFVMT-GOSISDBHSA-N 463.586 2.858 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190593 SJFCYPMNBLCVDC-GOSISDBHSA-N 485.997 2.601 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760191389 GOAGMGNGMTXROI-QZTJIDSGSA-N 458.584 2.539 30 10 JFEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1760193003 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C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1772660468 DJXIJGQGXCDTSO-HXUWFJFHSA-N 496.637 2.837 30 10 JFEE COC(=O)c1ccccc1OC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858960404 QGCBLYMFQXCLGY-UHFFFAOYSA-N 493.497 2.752 30 10 JFEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862180918 LHEMPJLHBJJWOY-FPOVZHCZSA-N 455.555 2.702 30 10 JFEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Br)c1 1862599094 BOOMUZLZTCZOGD-GOSISDBHSA-N 459.296 2.869 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)OCCO2 1862606410 QZWQBLZAMHSAQI-HSZRJFAPSA-N 478.501 2.754 30 10 JFEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862609829 VZRVOOLCWLIYHO-HXUWFJFHSA-N 453.451 2.506 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCCCO)cc1O 1862630291 QHRSKMSSEKQCRH-OAQYLSRUSA-N 455.463 2.870 30 10 JFEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1cccc(OC)c1OCC 1864372584 OAUQKAPTISTRSZ-CYBMUJFWSA-N 452.433 2.843 30 10 JFEE CSCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(C#N)cc1 1866639414 WKSHUAPXACWXPY-IBGZPJMESA-N 474.608 2.607 30 10 JFEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1 1867416581 BAAYWDVSMXKYSK-XMMPIXPASA-N 480.524 2.945 30 10 JFEE CCOC(=O)CCN(C)C(=O)[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C 1868781911 BXBDVCIJCNJICE-RXVVDRJESA-N 462.616 2.577 30 10 JFEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3c(C)cccc3C)CC2=O)cc1 1870109200 MSTIHESBVNZCHL-LJQANCHMSA-N 486.532 2.983 30 10 JFEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCOC)CCOC 1870349235 GAAIHONJMHDIBC-UHFFFAOYSA-N 470.614 2.736 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cnnn2Cc2ccccc2)cn1CCN(C)C 1870443872 NKNWIADDJXYVAS-UHFFFAOYSA-N 462.598 2.803 30 10 JFEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)nc(Nc2ccc(OC(F)(F)F)cc2)[nH]1 1871573361 HCQLPDMFAVISQV-UHFFFAOYSA-N 479.507 2.858 30 10 JFEE C=CCn1c(C(=O)Nc2cccc(NC(C)=O)c2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873672606 MALICZVZESOSHD-UHFFFAOYSA-N 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CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOCC2)cc1 1296801434 BVGDCPXILAXYFC-NTKDMRAZSA-N 472.565 2.981 30 10 JFEE COc1ccccc1[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1300454334 CDVQJSXVBRKCJW-CTNGQTDRSA-N 465.602 2.956 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300501206 HULVCRJCNKNDSN-AUSIDOKSSA-N 480.638 2.879 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CN(CC(C)C)CCO1 1300563482 KIDJOAWXEXCGLN-QFIPXVFZSA-N 450.543 2.673 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Cc2cccs2)CC1 1300711384 ASBNIXIHULMJBX-GOSISDBHSA-N 491.621 2.832 30 10 JFEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300833921 GGCSHSXQEPKPIB-PBHICJAKSA-N 476.375 2.833 30 10 JFEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1300983655 LSAFWVAFPNBPCH-BGYRXZFFSA-N 457.623 2.597 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OC(C)C)CC1 1301478096 HYQBOAAUZXRTEA-UHFFFAOYSA-N 454.575 2.843 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1301515369 TWVUHEVKQSBJOP-IBGZPJMESA-N 458.994 2.877 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC2(O)CCOCC2)c2ccccc2c1=O 1301964726 DHMWDFWYKNSBAB-GOSISDBHSA-N 479.585 2.763 30 10 JFEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)N4CCOCC4)CC3)n2CCCC(F)(F)F)c1 1302986201 FWBCYTYUVWSSNO-UHFFFAOYSA-N 477.491 2.733 30 10 JFEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1303614944 CWRGHLNWMAYHPM-KRWDZBQOSA-N 486.623 2.986 30 10 JFEE C#CCC1(NC(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CCOCC1 1303777288 MBVLTSKOBHOSAQ-UHFFFAOYSA-N 452.330 2.982 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1C 1304378328 BRDPUVYBFUSZRV-QFIPXVFZSA-N 488.589 2.947 30 10 JFEE Cc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)N2CCOCC2)c1 1304442130 HJGICVFWUVYNMK-ATIYNZHBSA-N 479.629 2.928 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCS(=O)(=O)CC 1305520690 DJINCQXGCXLFQD-SFHVURJKSA-N 481.626 2.973 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1309448171 RHBWDTRSKNMHFT-RDTXWAMCSA-N 451.010 2.630 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358877074 WNCQRTYFBNSLNJ-WMZHIEFXSA-N 474.613 2.736 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358895195 FENIPKWYGBZBRE-IEBWSBKVSA-N 451.493 2.621 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1358957821 AVUZFLSPYSFMFR-LJQANCHMSA-N 485.013 2.735 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCc2sccc2C1 1358982294 QTQLRWQJNMRUGS-UHFFFAOYSA-N 456.575 2.921 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCc1ccco1 1358991074 NBJBZZXEPIICMJ-UHFFFAOYSA-N 453.506 2.503 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(I)cc1 1358993281 JOZDXCSXJYDSNV-KRWDZBQOSA-N 460.319 2.898 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(N2CCOCC2)nc1 1358997914 JLPIMBMPRIMFIU-UHFFFAOYSA-N 474.540 2.739 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccc(O)cc1 1359002184 QQWDODWIEOSVBV-UHFFFAOYSA-N 452.584 2.954 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1359018324 LXYLRKNCTIEYFR-UHFFFAOYSA-N 476.368 2.603 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1359071748 BDZNDHHXNGAYGC-XMMPIXPASA-N 464.595 2.555 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1359112249 DDDLSZAKEFWROU-SFHVURJKSA-N 484.667 2.734 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359119565 BYYAAEXKMIGGQF-UHFFFAOYSA-N 463.604 2.789 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1)c1ccccc1 1359193758 IZLLQVGLHQSXBU-FUHWJXTLSA-N 456.572 2.799 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1359308407 NGHBRZPJWGTZAV-UHFFFAOYSA-N 496.637 2.737 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1359332346 VNOFUUXJYULKLC-NRFANRHFSA-N 493.674 2.740 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)Cc2nccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359335204 DCZVAZPUUOIAKF-IYBDPMFKSA-N 496.659 2.743 30 10 JFEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359343995 HYZAQGNARKARDL-DEOSSOPVSA-N 484.626 2.611 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCSCC1 1359466404 ANQKLNNLAOZRFM-INIZCTEOSA-N 462.023 2.506 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1359471849 AODKKQDLZBQVDU-IEBWSBKVSA-N 494.662 2.813 30 10 JFEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359604808 HCQUZPCOTAXVOP-SFHVURJKSA-N 454.575 2.631 30 10 JFEE C#CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CCCN1C(=O)OC(C)(C)C 1434887148 NNRIMCZLPKPLEC-VWLOTQADSA-N 454.571 2.806 30 10 JFEE COC(=O)[C@@H]1CCc2sc(NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)nc2C1 1466902592 BDKQNBMVVVVGRH-ZBFHGGJFSA-N 453.524 2.610 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC(C)CC2)CC1)S(C)(=O)=O 1501683584 GAINLYIQNIMXPD-UHFFFAOYSA-N 499.685 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2.735 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1507821146 VCBICVLHMMWUJY-PCCBWWKXSA-N 459.616 2.817 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507836020 UGSUVVWADYAMBB-DEOSSOPVSA-N 495.672 2.956 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1507916767 GIQPDYJKTRVGKN-FQEVSTJZSA-N 455.559 2.688 30 10 JFEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507957312 XVVJXJYZIMYNJI-UHFFFAOYSA-N 456.566 2.707 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1508078181 WQWWPCVVERMUBA-UHFFFAOYSA-N 489.418 2.623 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1508094030 MEKFPYZAPXMDTR-FQEVSTJZSA-N 463.586 2.969 30 10 JFEE C#CC[C@]1(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CCCN1C(=O)OC(C)(C)C 1515417003 DFHPGHSCNVOYSY-CJFMBICVSA-N 455.603 2.501 30 10 JFEE Cn1cnnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1517400998 CUKZKDPEHVDGNE-SFHVURJKSA-N 451.293 2.783 30 10 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462.595 2.610 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1722527664 QMVUYLFBAZVQDU-UHFFFAOYSA-N 472.634 2.772 30 10 JFEE C=C(Cl)Cn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722558417 NHZSZSXVMZBVLM-NQIIRXRSSA-N 450.971 2.866 30 10 JFEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722611270 IJYYMJWZFYBBKU-UHFFFAOYSA-N 456.978 2.836 30 10 JFEE C=CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722673854 GVELNGRNYIVHHN-ZNMIVQPWSA-N 453.531 2.821 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@H]2CCOC2)CC1 1722693274 IXKQUDCTXLULFX-OAHLLOKOSA-N 463.380 2.591 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722696615 QKPCERNJCPXNDO-UHFFFAOYSA-N 470.578 2.517 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](COCC)C1 1722724321 TVQMFLDMZUREBF-OAHLLOKOSA-N 486.436 2.889 30 10 JFEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C)C2)CC1 1728628322 BLLFRMSGQJQBOF-NJYVYQBISA-N 451.619 2.704 30 10 JFEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2)CC1)S(C)(=O)=O 1729389130 DLZYJSAVCUAZML-HXUWFJFHSA-N 474.656 2.963 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc2c(n1)CCCC2 1729636085 AZVIATPDCZYHCK-GOSISDBHSA-N 473.581 2.869 30 10 JFEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)C1 1731015311 CEJJFTKGBXVXTI-GOSISDBHSA-N 486.623 2.604 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCOCC2)nc1 1740552681 ZJLHCOAXGTVVSU-QGZVFWFLSA-N 452.509 2.885 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCOC(C)(C)C)c1 1740562644 MGFLNWSQHLLPEM-UHFFFAOYSA-N 478.553 2.877 30 10 JFEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cc(Br)cn1 1740602046 CXYXTILXNRRREE-UHFFFAOYSA-N 475.347 2.700 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740625340 PYRAUJFZFPNEJU-PKTZIBPZSA-N 499.681 2.573 30 10 JFEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nnc(C)s1 1740673741 FLELWXUANOJRNA-UHFFFAOYSA-N 464.643 2.505 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C)c(C)s1 1740677867 TXOVBJKZTDZSLM-HNNXBMFYSA-N 476.603 2.789 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(SC)CCOCC2)CC1 1740700159 HYLWKUXPMWNNMD-UHFFFAOYSA-N 459.591 2.664 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CC(C)C)CC2)CC1 1740710291 VUJYJAFKIKAWGH-SFTDATJTSA-N 457.619 2.794 30 10 JFEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740813440 GVVZNDPGNNJVJE-OAHLLOKOSA-N 497.021 2.752 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1740877261 ZLJDCBQNQACCSA-MOPGFXCFSA-N 459.616 2.870 30 10 JFEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1740892361 FMABQOFNUBWGCB-IBGZPJMESA-N 467.437 2.866 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 1740964202 KTJABBPDKBPPDV-UHFFFAOYSA-N 476.572 2.844 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1740968422 BAOVTVPUNZXXKC-KRWDZBQOSA-N 491.017 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCCC[C@H]2C1 1740988863 RQULPXYTCFCZKX-FQEVSTJZSA-N 489.642 2.628 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1741002661 KDGHBFUBJHNXAF-KKSFZXQISA-N 466.583 2.948 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1744050500 HIHNVYFFJYWXBM-XMMPIXPASA-N 464.549 2.932 30 10 JFEE COc1cc(OC)c(CCn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1748563888 BAVGCEQHSVDWID-DEOSSOPVSA-N 466.517 2.974 30 10 JFEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1748750745 OGOHWMYERHHPHW-UXHICEINSA-N 458.607 2.911 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1748809470 TZCSQACQELZDKR-QFIPXVFZSA-N 483.638 2.537 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748821457 QPFPTXSFDQOSQV-UXHICEINSA-N 460.600 2.526 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1(N(C)C)CCOCC1 1748837999 UIFFCAAJGKXJJB-UHFFFAOYSA-N 456.388 2.891 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(COC)cc1 1748887010 PRMSDOLFFKXMSK-UHFFFAOYSA-N 476.606 2.896 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1748945335 QSMNUHJJEVMHNL-FPOVZHCZSA-N 473.618 2.691 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1748962977 VRYAIFCPJXMHQX-URXFXBBRSA-N 467.614 2.875 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(Br)cs2)CC1 1748973081 XAASWMMNYKQITP-UHFFFAOYSA-N 486.399 2.553 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CCCC2)CC1 1748983296 NBVKWPNTKMQMAJ-UHFFFAOYSA-N 457.420 2.867 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C 1749026198 HQHLJNLZNJPPJS-ZDUSSCGKSA-N 466.380 2.880 30 10 JFEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](OCCOC)C1 1749092253 QFHLLHRQYYIIML-MRXNPFEDSA-N 465.348 2.867 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749129587 FLLNFNDUWKIESD-KNQAVFIVSA-N 455.607 2.891 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749240153 UBDZISSFECEPTE-QFIPXVFZSA-N 463.542 2.633 30 10 JFEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749285339 GFAIZMMLTRVCBM-IRXDYDNUSA-N 459.012 2.692 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1749685957 NRKJYAKOPNSVRC-QFIPXVFZSA-N 467.595 2.890 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(O)c2)C1 1749697102 HLWOOCZAVKQCOS-DVECYGJZSA-N 458.559 2.863 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1749727143 NXENIBPGLMKKKL-YOEHRIQHSA-N 451.980 2.598 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749752127 JAMBHONDUWMFHL-KDURUIRLSA-N 457.648 2.980 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1749756173 UFQQPXHMGKZQQE-QUCCMNQESA-N 495.715 2.574 30 10 JFEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)C1 1749803006 AJYVVKYPOCIBMV-FQEVSTJZSA-N 454.575 2.848 30 10 JFEE CC(=O)N1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)CC1 1749835741 VZQQIPZTOPVICA-IBGZPJMESA-N 497.600 2.964 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCC[C@H]2C)c1 1760127478 AHGJEUSWTFGTHK-BCHFMIIMSA-N 458.566 2.871 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCN(CC)C2)c1 1760127963 SHERWDKVRXJCAS-NRFANRHFSA-N 457.582 2.662 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760180739 KLGCIQXALPYBSJ-SFHVURJKSA-N 485.635 2.842 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1760183258 PPJUSJQOIUFETJ-MRXNPFEDSA-N 450.992 2.913 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2cn[nH]c2)CC1 1760255257 FONMEKSJVBKWKR-UHFFFAOYSA-N 454.376 2.737 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(Cl)c2)CC1 1760268922 ZZBCZRHUCHFBKM-UHFFFAOYSA-N 466.973 2.960 30 10 JFEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760282316 ZZIAHVLQWPIIJV-NRFANRHFSA-N 484.626 2.741 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760320151 SNHZWZULDCNOCA-FSSWDIPSSA-N 474.627 2.956 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760342943 ZVDNZZUMIGFKDX-UHFFFAOYSA-N 478.439 2.613 30 10 JFEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC(=O)N(C)C)CC1 1760383624 VFRFEXZGVACPFV-UHFFFAOYSA-N 459.620 2.571 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1760453758 IAZKXJAZKMXSRZ-GOSISDBHSA-N 460.026 2.510 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1760503929 RXISVEAGYCKHEC-IBGZPJMESA-N 453.522 2.550 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2CCCC[C@@H]2C1 1760515428 NGFMVHCYYNENTN-GOSISDBHSA-N 459.392 2.684 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760532015 ITMAHXYOOWSQDM-QGZVFWFLSA-N 453.465 2.797 30 10 JFEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1761270869 DEQBUGAGEWVKJV-OAQYLSRUSA-N 472.615 2.888 30 10 JFEE 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474.631 2.514 30 10 JFEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1)c1ccccc1 1286617238 JCYVMOXOCLHAHI-SFTDATJTSA-N 460.600 2.525 30 10 JFEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OCCOC)CC1 1286629806 SLTHAWUXZMHRKV-UHFFFAOYSA-N 461.998 2.836 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286770235 CHDATPAWACRGAE-LJQANCHMSA-N 455.588 2.629 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C)C1 1286817879 YYKPRMLXQTVDIM-CQSZACIVSA-N 455.378 2.534 30 10 JFEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)n1 1289939769 FQSVYERYGIDASK-UHFFFAOYSA-N 459.554 2.904 30 10 JFEE C[C@H]1C[C@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1 1291012633 BZPAFAZEUDROQK-VXKWHMMOSA-N 465.646 2.953 30 10 JFEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1293834179 HTBRWIIXBIWJNL-WMZHIEFXSA-N 450.547 2.750 30 10 JFEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)OC(C)(C)C)c2ccccc2c1=O 1296216122 HPFUVMPKIYZGLZ-UHFFFAOYSA-N 492.584 2.940 30 10 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30 10 JFEE CC(C)c1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824419 QVAPHTHESOFYBD-UZYWOGEQSA-N 459.546 2.925 30 10 JFEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Cl)c1 729668557 NEVIRYBTIJGMID-UHFFFAOYSA-N 477.977 2.619 30 10 JFEE C=CCC[C@@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757292919 CLMLTJOGNUMCEO-KSFYIVLOSA-N 452.507 2.812 30 10 JFEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)O 757295775 IUIBIUDSTHSOTO-YDFBLROQSA-N 452.507 2.810 30 10 JFEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCO)C(=O)O 757399764 KJIZGGKNHPFGAR-FGZHOGPDSA-N 465.506 2.539 30 10 JFEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](OC)(C(=O)O)C1 757423447 CJNOUYPNUKMFIH-ATIYNZHBSA-N 462.502 2.619 30 10 JFEE CC[C@](COC)(NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757472760 BBVPGQRCZWTNEN-RUZDIDTESA-N 450.491 2.525 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3cccc(NS(C)(=O)=O)c3)ccc2c1=O 917129687 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CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1291802491 CUUVVWYZJAJWRL-MOPGFXCFSA-N 465.602 2.815 30 10 JFEE CCC[C@@](C)(O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C#N)CC1 1293800526 FKLADNMDHBSSHP-JOCHJYFZSA-N 459.620 2.838 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1296227794 BNUBIHJKOCNPKG-UHFFFAOYSA-N 478.626 2.758 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCO[C@H](C)C2)cc1OC 1296763364 HVDJCVINCVNCKW-CTNGQTDRSA-N 484.601 2.582 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCC2CCOCC2)c1 1300331481 LRNBDMCWGNNLAQ-UHFFFAOYSA-N 466.586 2.679 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300384238 NXLRJBDWGFHHEM-ZRCGQRJVSA-N 482.604 2.959 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cccc(OC)c1 1300479271 KPVQPJZWAVBGCD-KDURUIRLSA-N 482.585 2.557 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300501808 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CHTDJTGCEWDJLN-DEOSSOPVSA-N 454.623 2.658 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ccc(Cl)cn1 1507520488 DACMEEOEZKKGEJ-HNNXBMFYSA-N 459.959 2.934 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC=C)c1 1507551172 VMYCAJZUUDRRLI-HXUWFJFHSA-N 480.569 2.829 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1507565910 AUIZDHQTOWZTAT-AABGKKOBSA-N 486.617 2.637 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1nc(C)cc1C 1507605616 WPIGXGLUKDFKCZ-UHFFFAOYSA-N 454.604 2.520 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1507612911 WBDYMVVQZRQSON-HXUWFJFHSA-N 477.613 2.806 30 10 JFEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1507629017 QXFDKPALSJLQHZ-HZPDHXFCSA-N 499.406 2.898 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)NC(C)C 1507645092 UBBLENQFGSQWEI-QGZVFWFLSA-N 459.641 2.532 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1507669812 SAJBPAHMSLFFMR-JOCHJYFZSA-N 498.672 2.702 30 10 JFEE C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCOC1 1507702447 KNMFSQCLXBPFGJ-MBSDFSHPSA-N 462.978 2.926 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCN(C)CCCOC)CC1 1507720530 IDMNRGKWPNRWQM-UHFFFAOYSA-N 493.425 2.570 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2cccc(F)c2)CC1 1507733410 XVEVGKMFNZCWCG-UHFFFAOYSA-N 480.588 2.597 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1507802715 BZDCJJPAYRSXBB-WMZHIEFXSA-N 474.005 2.799 30 10 JFEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCS(C)(=O)=O)CC1 1507884265 RTMLXRLJHAROPU-UHFFFAOYSA-N 456.572 2.965 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C 1508077055 JUMWACJEUAOVHM-UHFFFAOYSA-N 477.407 2.669 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3ccco3)C2)cc1 1508098169 XPUIKMIXBODUJC-DYESRHJHSA-N 487.582 2.672 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1508143498 ZQKNWNQPAFQFJS-FCHUYYIVSA-N 474.627 2.913 30 10 JFEE CCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC1 1514355528 IFLAKMYOQZWXFO-UHFFFAOYSA-N 467.622 2.627 30 10 JFEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1518879857 FHOFDSCIQXONOO-SFHVURJKSA-N 486.623 2.638 30 10 JFEE C=CCC1(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCCC1 1525699429 SAUSIWNCEYPEDW-UHFFFAOYSA-N 451.564 2.545 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(OC)ccc1Br 1539093730 CYKFLCMBMGNBPL-AWEZNQCLSA-N 484.420 2.709 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCN1S(C)(=O)=O 1539160915 DSHVLWDDVCMAGI-GOSISDBHSA-N 469.567 2.611 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539218617 BODFLUQHLGVYRA-FYYLOGMGSA-N 487.645 2.755 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539230348 MDXLAWDNHYOLLV-NHCUHLMSSA-N 470.595 2.793 30 10 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475.391 2.505 30 10 JFEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1540873845 LXNIINMBFJQQHY-HXUWFJFHSA-N 491.640 2.962 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1540894208 SJGXEQRLJUGEMY-JAXLGGSGSA-N 454.619 2.933 30 10 JFEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)s1 1542399417 DQCAEZDAFMZOJU-QGZVFWFLSA-N 457.581 2.770 30 10 JFEE COC(=O)c1sc2ccccc2c1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1542873883 ADIUDJYQWAVXOE-ZDUSSCGKSA-N 457.533 2.543 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CCCO1 1545058438 FXYPECSRDUHMDQ-MRXNPFEDSA-N 452.481 2.838 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)CC1)S(C)(=O)=O 1547572916 BOCVTSVJQDVVSF-UHFFFAOYSA-N 499.685 2.943 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(Cc3ccccc3)CCOCC2)cc1 1558589439 VZQHBXDZDNVNGX-UHFFFAOYSA-N 457.596 2.516 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1566161095 RJXLBVHRQYXGAC-UHFFFAOYSA-N 455.305 2.859 30 10 JFEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1587782941 FIJUDXLGHXQEBT-QHCPKHFHSA-N 452.651 2.548 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(C)C)CC1 1587813913 YNETZOHSSWCXJV-UHFFFAOYSA-N 457.648 2.738 30 10 JFEE C#CCCCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1587865338 NYZPHZALPGMUNC-DHLKQENFSA-N 462.642 2.970 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1588035953 ZZCMCKQIBHTSSB-KNQAVFIVSA-N 494.086 2.663 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588044751 BXZMBAUVLOCMAJ-NRFANRHFSA-N 483.642 2.654 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1Cl 1588309761 CNTSZUQNSRBOMN-UHFFFAOYSA-N 473.990 2.825 30 10 JFEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1588752370 QYPIKVSDDYEJJV-QFIPXVFZSA-N 478.519 2.536 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2csc(COC)n2)CC1 1588791341 SNLSMMQIURSZRC-UHFFFAOYSA-N 482.610 2.759 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(Br)c2)CC1 1588806113 HCAMCIFSAMUVSV-UHFFFAOYSA-N 482.386 2.504 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](CCC)OC)CC1 1588813306 WYJZBETVFIIOJB-OAQYLSRUSA-N 474.650 2.963 30 10 JFEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1588993630 LKBIMNXGSQQLPU-NRFANRHFSA-N 463.510 2.944 30 10 JFEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1589134884 QXIRFXAATKLBHK-QZTJIDSGSA-N 454.662 2.577 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](COC)C1 1589515073 KXIGFVKZMXMRAT-KPLVRAHFSA-N 458.559 2.795 30 10 JFEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1593611103 LXHONDUMXZIPMW-FQEVSTJZSA-N 484.626 2.946 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1593636102 GIICRAABKGITEA-RTWAWAEBSA-N 490.649 2.711 30 10 JFEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1594713472 CBOYDZFWSAJSTB-UHFFFAOYSA-N 458.014 2.916 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)CC1 1594784428 ZKALADZAXMIPGJ-UHFFFAOYSA-N 456.547 2.628 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1595788570 DDBIBWWDIUTNDD-HDICACEKSA-N 484.626 2.929 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC1 1595796542 AGDYYUHNHORKSC-GOSISDBHSA-N 467.636 2.840 30 10 JFEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595850493 OEQIGGMSMNOJQK-IBGZPJMESA-N 465.583 2.503 30 10 JFEE CC(C)(C)n1ncnc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1597409572 DPFDIVNPZNWADL-JOCHJYFZSA-N 485.955 2.698 30 10 JFEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1616004328 HEOMZDFYAJNJQZ-NHCUHLMSSA-N 470.574 2.829 30 10 JFEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 1617632575 GXGKDNKODFQEOK-VXKWHMMOSA-N 495.628 2.887 30 10 JFEE C#CCn1ccc(CN(CC)C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)n1 1618759608 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1694423240 AJDFTLMKEQLEHD-UHFFFAOYSA-N 455.559 2.666 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705537779 QUZVKLZRSUMADE-JOCHJYFZSA-N 466.630 2.884 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1705560609 ITWYXKYIINIKKT-GOSISDBHSA-N 488.610 2.788 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705562572 FSEAADBUNWXBLF-OAHLLOKOSA-N 498.436 2.651 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564876 DXJIMAPQIZASGR-VSKRKVRLSA-N 471.627 2.981 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCN(CCN(C)C)CC1 1705587104 HQAGEQSTGQFRQU-QHCPKHFHSA-N 497.688 2.697 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(O)cc2)CC1 1705645796 FPPFCDHAFDZSPU-UHFFFAOYSA-N 450.930 2.713 30 10 JFEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705686238 SWPMDFSYGFEWQE-HNNXBMFYSA-N 451.413 2.633 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 1705792028 KWQORPFCZUOHIP-FQEVSTJZSA-N 481.663 2.609 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705880208 YKAQIBZMIWULAE-LJQANCHMSA-N 476.622 2.800 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705890570 XCHFCPHLMAKOKC-LJQANCHMSA-N 495.632 2.819 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1C 1705901031 YFTKPJAYTLTJAM-UHFFFAOYSA-N 475.553 2.905 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705931567 UETFAMNUDXVYNL-UHFFFAOYSA-N 496.637 2.646 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C2CCOCC2)C1 1705933281 AQTOJDBRNGRUCN-SFHVURJKSA-N 466.007 2.847 30 10 JFEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1705946201 BMKLBQOEYIOSOB-IRXDYDNUSA-N 453.609 2.731 30 10 JFEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1711221529 AHVRIBTURKSWKB-QHCPKHFHSA-N 481.645 2.618 30 10 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C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1722479497 JLHGRAFBNQLMLU-AWEZNQCLSA-N 484.420 2.677 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722504932 PSPAPTFLHMYTCR-WQJYWUQFSA-N 453.543 2.560 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1722581031 RFQWKDJYEBGLPF-UHFFFAOYSA-N 458.636 2.857 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC 1722659412 VJCNDJWRCBUWAP-FSSWDIPSSA-N 489.642 2.619 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1722660486 WSABNUCWTZDJMM-LNVKXUELSA-N 476.516 2.537 30 10 JFEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722685453 DCUQEVIMRWTJFO-UXHICEINSA-N 460.623 2.737 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722700329 FKTPHUHZZOEWPR-IBGZPJMESA-N 480.544 2.762 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N2CCN(CC)CC2)C1 1722714265 JLMJPGZSOUQKOD-SIKLNZKXSA-N 469.590 2.661 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccccc2F)C1 1722723064 VMLGFENEDHJOJI-LJQANCHMSA-N 450.518 2.614 30 10 JFEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1727658237 CDFZCWSGAFOOFH-PXNSSMCTSA-N 497.600 2.699 30 10 JFEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCS1 1727833486 DTWLVQNAFPUVHD-RXVVDRJESA-N 456.616 2.781 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1740547959 CIMJRHCHOYLWRV-KRWDZBQOSA-N 456.554 2.642 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740556873 GODMZFXQOYEHBT-REWPJTCUSA-N 461.614 2.682 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H](C(C)C)N2CCOCC2)c1 1740561819 CMMJDPFGEHVMLA-XMMPIXPASA-N 487.608 2.753 30 10 JFEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOCC)[C@H](CC)C1 1740589235 SFJHDNWRQGWQLU-LJQANCHMSA-N 463.586 2.944 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1740591305 NUFHCWXQORJLTJ-IBGZPJMESA-N 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C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1301497035 LRKGVSGQIURBCB-FQEVSTJZSA-N 473.581 2.597 30 10 JFEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@@H](COC)C2)CC1=O 1301859268 AZVMYVFFARESQB-RTWAWAEBSA-N 466.586 2.565 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1314622691 BDWAMYAKPOAEQF-JOCHJYFZSA-N 495.628 2.985 30 10 JFEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358952855 AHTCQBHHHNYSTH-LJQANCHMSA-N 459.616 2.640 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1358967140 DYKBWGAZCXDTCI-UKRRQHHQSA-N 485.429 2.629 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358989641 KJXHBEHRNYIJNN-NRFANRHFSA-N 489.498 2.790 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1cccc(N2CCOCC2)n1 1359013901 PPFIIXFHLORUFH-UHFFFAOYSA-N 450.518 2.736 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc(C(C)(C)C)s1 1359019417 UYROHTXQSJUARR-QFIPXVFZSA-N 462.620 2.602 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1359039407 HRBUMMBEFZYMSM-GBXCKJPGSA-N 453.587 2.682 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1359044759 NZEQOVYIHPIOKH-UNMCSNQZSA-N 456.635 2.606 30 10 JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359054517 YDBXNDGBLQIHDO-UHFFFAOYSA-N 452.559 2.638 30 10 JFEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)Cc1cnn(C)c1 1359154088 CTZUZLVNUQLYJR-UHFFFAOYSA-N 455.010 2.765 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359160443 VBCFZTPGIFEPGC-XXBNENTESA-N 460.600 2.741 30 10 JFEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359199716 FHYCQBOJXQEEDF-UHFFFAOYSA-N 450.543 2.975 30 10 JFEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359201050 AOQGGPPQXUJHDC-BHIYHBOVSA-N 490.630 2.756 30 10 JFEE C=CCCCCn1c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nnc1C(C)(C)C 1359206744 OCYUOKVDXDGDRC-UHFFFAOYSA-N 454.623 2.885 30 10 JFEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(N(C)C)CCSC1 1359243031 AWWQKEWQPWSGCG-RUZDIDTESA-N 469.703 2.702 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1)C1CC1 1359251287 HQZUYJGAPGLCJE-LYBXBRPPSA-N 481.663 2.750 30 10 JFEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359285528 OCCDDAGCIKSQSV-UHFFFAOYSA-N 458.994 2.928 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1359327219 VTYMGDKGJOLQRO-UHFFFAOYSA-N 483.997 2.757 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359327582 FVBQNGFYKGTRLD-HXUWFJFHSA-N 470.599 2.797 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1359331366 WQFRMFJPIKISLU-HNNXBMFYSA-N 483.520 2.931 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)OCC)c1 1466845220 BGDNURGEGXECMY-DEOSSOPVSA-N 456.564 2.932 30 10 JFEE CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCC1 1497211670 FCQWINKFWOHUOB-PGRDOPGGSA-N 460.579 2.665 30 10 JFEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1503382527 FYDXTRBALUVTME-RTWAWAEBSA-N 463.567 2.822 30 10 JFEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNC(=O)C(C)C)CCN(C)CC1 1505188868 DHUKTZJOGYJYQZ-UHFFFAOYSA-N 469.659 2.853 30 10 JFEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1507555857 WOUPXAAQBXNCCS-KRWDZBQOSA-N 464.339 2.601 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1ccc(F)cc1)N(C)C 1507608779 RXVIWQRNUFCJLE-HXUWFJFHSA-N 469.590 2.750 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 1507623176 PMMIUMHBKBVENA-GHTZIAJQSA-N 469.611 2.593 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507627265 DCSCUHNXGPDUBS-LJQANCHMSA-N 459.616 2.507 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc([C@@H](C)OC)n1 1507660919 HOUBJHCAWADBHO-WZONZLPQSA-N 457.600 2.994 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)N(C)C 1507673059 OHXZYTNJUNFDDU-UHFFFAOYSA-N 471.627 2.509 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCCC1(C)C 1507680618 GLHHANHGNKUXOG-HSZRJFAPSA-N 458.632 2.947 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1507700007 NGHSAAGJYXYYTE-NRFANRHFSA-N 466.561 2.552 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1507711675 GUXYNJXSECZYIY-FQEVSTJZSA-N 468.602 2.997 30 10 JFEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)CC1 1507727216 HQNLXIBTUWYOKF-UHFFFAOYSA-N 467.524 2.603 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cccnc2OC)CC1 1507732886 YUGFZPBMIGBXLB-FQEVSTJZSA-N 495.628 2.600 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)C(=O)NC)CC1 1507734652 SKHHNCGTTYCCHC-QGZVFWFLSA-N 496.681 2.869 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Sc2ccccc2)CC1 1507738778 YISBWZHQCZAJHJ-SFHVURJKSA-N 461.595 2.882 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1507763820 GFVRJODXSGFLCU-GBXCKJPGSA-N 485.654 2.937 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1507806596 AYWYBJMVXVRMBX-GQOCTPOGSA-N 455.559 2.549 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1ccc2c(c1)OCO2 1507807175 QUGVKBSUTWIXBR-BLIXFSHQSA-N 491.614 2.625 30 10 JFEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507833424 ROXMGARAUPTODU-UHFFFAOYSA-N 472.600 2.552 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2nccs2)CC1 1507835487 CCYCYNKLNPBQGY-UHFFFAOYSA-N 468.587 2.691 30 10 JFEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)N2CCOCC2)CC1 1507905398 XHEFOAOPDDKGEB-UHFFFAOYSA-N 488.633 2.654 30 10 JFEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1508042603 SBTPUUKSTOOFOH-UHFFFAOYSA-N 475.553 2.875 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508072952 LMLVBZZBYMPOPK-VXKWHMMOSA-N 479.629 2.704 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H]2CCCOC2)cc1 1508100092 CXTCSBURKOBSGQ-VQTJNVASSA-N 460.600 2.656 30 10 JFEE CC(C)N1CCC(O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 1509546265 ASKZQVASCGCYON-SFHVURJKSA-N 488.036 2.835 30 10 JFEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1509987258 GPQVVPRDNWIYQE-QGZVFWFLSA-N 490.630 2.801 30 10 JFEE Cc1cc(C)nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)CC2)n1 1510601659 HEZFJSYFBFCOOC-VWLOTQADSA-N 460.586 2.957 30 10 JFEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCN2CC)CC1 1513196548 GLSTXYFORDLBJO-ZJSXRUAMSA-N 492.672 2.728 30 10 JFEE CCS[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1516913293 IEIQWETYFCTEDC-IBGZPJMESA-N 463.629 2.885 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1518044994 CWDSYNGRTVUSPW-URXFXBBRSA-N 472.565 2.761 30 10 JFEE COC[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1518707218 BRTLYTIYPDYOAG-LJQANCHMSA-N 461.570 2.753 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1539219547 DIFKIOSOJMKMBI-IRLDBZIGSA-N 472.611 2.982 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539222095 SYYPMEHDLMYAKH-FCHUYYIVSA-N 456.612 2.822 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1539224384 GFQJOYFAZWUBJH-XMMPIXPASA-N 492.649 2.785 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1nnc2n1CCCCC2 1539305018 MEUPAFYRYMRTQA-UHFFFAOYSA-N 458.526 2.877 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1539392529 RJFHZTQHDHATGX-NRFANRHFSA-N 489.617 2.970 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCN(CCC)C2)CC1 1539434910 XRRNRVNMLCUYQT-QGZVFWFLSA-N 460.424 2.523 30 10 JFEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1539504484 HVWNCXDBSZRYJE-LJQANCHMSA-N 454.629 2.865 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)CC1 1539639658 ASSUYKMQDNFVIB-HTAPYJJXSA-N 457.600 2.887 30 10 JFEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)N2CCOCC2)CC1 1539900843 VAYLZSLOWFSSFV-BGYRXZFFSA-N 488.633 2.700 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1539985273 IDVJEFGSYXXQPF-LEWJYISDSA-N 475.615 2.546 30 10 JFEE C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861529 VSSQFMCBZBSOKB-CEXWTWQISA-N 473.622 2.817 30 10 JFEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1540862309 YJCSORRPDLIIIM-UGKGYDQZSA-N 457.575 2.528 30 10 JFEE CC1CCN(C[C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)CC1 1544481363 CUMDQXFGRGZBDK-JOCHJYFZSA-N 479.629 2.765 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1545273563 FYRFGSQSOVGFTG-WDZJFXIESA-N 482.629 2.684 30 10 JFEE CC(=O)OCCc1cccc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1546232876 ALKXZNAEOPDLLV-FQEVSTJZSA-N 457.552 2.884 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1546810441 FCGBONUJNMYTGL-GGAORHGYSA-N 477.613 2.960 30 10 JFEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1547525581 CZYKYCUCYSTYER-UHFFFAOYSA-N 453.572 2.544 30 10 JFEE CNC(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)c1ccncn1 1548379981 NFVCXMGWILSXCG-IBGZPJMESA-N 472.471 2.614 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)s1 1557065257 DFZNYYSXTUJESO-UHFFFAOYSA-N 450.582 2.963 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588035606 VZBDIPHFSBTAMZ-INIZCTEOSA-N 486.516 2.932 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045368 JLESHBVRYQACJV-GGAORHGYSA-N 480.638 2.522 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1588292871 FBWWDQSPQVDOCB-UHFFFAOYSA-N 454.619 2.838 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCCCC)CC1 1588891057 KSQUGADQBAJAQK-UHFFFAOYSA-N 491.434 2.829 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)Nc2ccc(F)cc2)CC1 1588955486 YQWABGJBLRFIAO-UHFFFAOYSA-N 480.569 2.674 30 10 JFEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1589394427 FOLXIOJWBHNRNR-UHFFFAOYSA-N 465.440 2.979 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(CCN(C)C)CC2)CC1 1594122168 LBLGGIGGZDTISJ-UHFFFAOYSA-N 471.675 2.700 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1594497462 HMAQQWHTYRREGN-ROUUACIJSA-N 460.579 2.918 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1595777207 JUTZQRZSLNHXCC-PMACEKPBSA-N 490.626 2.959 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 1596849295 GCKGUAPPVBLFPI-SFHVURJKSA-N 465.533 2.872 30 10 JFEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1612465009 FDIUIRCABAWNQS-UHFFFAOYSA-N 476.585 2.609 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1615069614 AFEZWHAMYGVQFC-IAGOWNOFSA-N 497.666 2.664 30 10 JFEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C[C@@H]1C 1615871537 BVMVCHVCNWTSJY-FQEVSTJZSA-N 465.602 2.662 30 10 JFEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1617500435 GGTFMTAIAABXAB-IBGZPJMESA-N 462.645 2.820 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)OC)cc1 1634310477 ABPBMFJZRXIJNP-OAQYLSRUSA-N 450.944 2.709 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)cc1 1640883029 NQOPRPNGKIIMQX-LJQANCHMSA-N 451.589 2.868 30 10 JFEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 1655976741 RPGRJCZXTQIPSI-UHFFFAOYSA-N 452.470 2.812 30 10 JFEE Cc1cccc(S(=O)(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1C#N 1662301465 BOKVMVGMMQOPBG-UHFFFAOYSA-N 457.533 2.936 30 10 JFEE N#Cc1c(Br)cccc1S(=O)(=O)NCc1ccnc(N2CCSCC2)c1 1663405701 FSPOZWKSNCKUOW-UHFFFAOYSA-N 453.387 2.747 30 10 JFEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2)c1 1670503197 GEZBETPLVGQVGQ-ICSRJNTNSA-N 451.527 2.660 30 10 JFEE C=CCOc1cccc(NC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 1673779399 HLVBNCRLHKSDID-NRFANRHFSA-N 452.559 2.638 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)[C@H](C)CC)c1 1689870516 QRYDEEMNLQEKFE-QUGAMOGWSA-N 492.580 2.859 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sccc2C)c1 1689871694 BUCNWVAEBVYSNS-GOSISDBHSA-N 483.619 2.655 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689996993 SXTGMLJCYOJXRA-RLLQIKCJSA-N 493.029 2.688 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689998446 MMBHCZNATHYFPP-SWUCNREESA-N 486.638 2.741 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1689999529 CNVVAUILSBKMGI-OAQYLSRUSA-N 470.533 2.523 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCN1CCCO 1690003252 IWAIMKRTRRDMCI-HXUWFJFHSA-N 456.388 2.627 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1snnc1C 1690102742 UBUCNIOCPJRSMZ-QGZVFWFLSA-N 475.619 2.687 30 10 JFEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1COc2ccccc21 1690106528 ZGIGVXBXXYLJMQ-KRWDZBQOSA-N 451.552 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc3c(c2)OCCO3)CC1 1690137282 SJRXOXQVEDUMFZ-SFHVURJKSA-N 451.571 2.771 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1690150373 FGWAIHQILKFIIY-UHFFFAOYSA-N 476.503 2.581 30 10 JFEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690173199 YDNHVYJGAZXGDM-GOSISDBHSA-N 459.641 2.871 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1690485145 MGVJYCCMQODPBN-MRXNPFEDSA-N 465.542 2.746 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1690689757 LASHIDNUBZWKEK-LPHOPBHVSA-N 466.007 2.661 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1690722456 KBNHXRSBURDVDU-UHFFFAOYSA-N 488.658 2.503 30 10 JFEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1 1696483369 FCHRYVMZAPZSPW-IBGZPJMESA-N 463.629 2.885 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H](C)N2CCOCC2)c1 1705504633 BYUZTBVPTNSEKA-SFHVURJKSA-N 462.554 2.623 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](C)N2CCC(C)CC2)c1 1705505663 RDWBKTNJNPPEGE-FQEVSTJZSA-N 472.597 2.912 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1705563451 YAVVWJAARRILMV-BZSNNMDCSA-N 476.574 2.727 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1705590829 XJPCTENSTGTLPN-JOCHJYFZSA-N 467.536 2.667 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2c(C)noc2C)CC1 1705639726 VLYJUXZGCMGGEM-OAQYLSRUSA-N 497.644 2.995 30 10 JFEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705660467 WHXWNTNMQXIHNE-FQEVSTJZSA-N 453.612 2.937 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1 1705661428 BFQWKOOFKHFBLJ-HXUWFJFHSA-N 492.690 2.731 30 10 JFEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705662328 WENNOGZORAVNIT-DEOSSOPVSA-N 488.658 2.618 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705706474 VMXFMSUXYXVQGI-POAQFYNOSA-N 465.645 2.628 30 10 JFEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NCCCC)CC1 1705724336 GNEHHOGNJZSAHW-UHFFFAOYSA-N 473.647 2.947 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1705730040 AICCRHXTRQFYIV-OAQYLSRUSA-N 477.631 2.649 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705786515 PXZUQEAVFRNHKI-INIZCTEOSA-N 480.660 2.515 30 10 JFEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1)c1ccccc1 1705795675 PEGKJIOZMRDHTM-NNWRFLSQSA-N 472.659 2.923 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1cn(C2COC2)nn1 1705883166 XRQNYCFHRSTIQY-UHFFFAOYSA-N 492.353 2.697 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705908755 VMCJOXXJLPUNAV-QZTJIDSGSA-N 457.600 2.744 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705934791 XGFSEVSTJWFDLD-UHFFFAOYSA-N 495.584 2.587 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1706746492 BLWLJPMOMZERSF-MAUKXSAKSA-N 474.612 2.612 30 10 JFEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)ccn1 1710929286 CEDBHOXKUBIKOE-UHFFFAOYSA-N 490.637 2.582 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 1722340036 KUGSOBCTOMMXCU-UHFFFAOYSA-N 479.412 2.835 30 10 JFEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1722360201 DZGRXUOBEQPXGA-SFHVURJKSA-N 455.584 2.606 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1722364833 MOXKJOHFDWFXSQ-PXNSSMCTSA-N 474.558 2.531 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722371828 YWEGQFYHYLAYET-RDPSFJRHSA-N 472.611 2.607 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722377361 YBXFXSPECFPCNM-QGZVFWFLSA-N 466.895 2.720 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1722403945 KCCRWKPCJMHVHR-UHFFFAOYSA-N 460.376 2.758 30 10 JFEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722453969 FVFQSBSXBFJWFR-UHFFFAOYSA-N 491.665 2.850 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1722483540 HQZYOJUPWJXADD-KRWDZBQOSA-N 478.366 2.851 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722510409 RTBIAWCLQVDUNC-YLJYHZDGSA-N 450.630 2.925 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(OC)C1 1722545486 GKYWGCLIEDJBMM-FQEVSTJZSA-N 453.996 2.953 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722694784 IFSFJQQNPUFHIK-XLIONFOSSA-N 479.585 2.858 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)cc1OC 1722696025 YGAHFKHWHCVZHD-UHFFFAOYSA-N 456.934 2.949 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C(C)C 1722724626 BOJGDSVFDOONQC-UHFFFAOYSA-N 463.579 2.669 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722728987 CSWMMTMZFOQAFT-IBGZPJMESA-N 465.645 2.630 30 10 JFEE C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 1723846394 FDJPLTWDEBTKBD-NRFANRHFSA-N 465.646 2.781 30 10 JFEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1726501168 CTKUERZYGFWOEW-MSOLQXFVSA-N 450.547 2.528 30 10 JFEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1727799373 BKPADAAURDROFL-RTBURBONSA-N 464.492 2.695 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C 1740677852 SURCHXAKRORTJV-SBUREZEXSA-N 477.606 2.608 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN(C(C)=O)C1 1740684591 VTSDVFCYYHSNLS-FQEVSTJZSA-N 462.554 2.945 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)COc1ccccc1OC 1740724717 HWSWRSKYKLWFQN-IEGUWTFLSA-N 475.615 2.604 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1740851277 SIEHUQKDJZOEAA-RTWAWAEBSA-N 489.642 2.791 30 10 JFEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740861033 ZDVCIWRUKLCNFJ-UHFFFAOYSA-N 463.590 2.972 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740880576 IVCUVGKEGYSAEJ-HXUWFJFHSA-N 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C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccn(C)n2)CC1 1539469737 FODPDTZTKDWRRS-UHFFFAOYSA-N 459.598 2.990 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C)nc2)CC1 1539474817 ZYTUCASRLDOKCC-UHFFFAOYSA-N 474.565 2.680 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C)C(C)(C)C1 1539570063 YUXRLUMZKZHQTC-AREMUKBSSA-N 466.630 2.884 30 10 JFEE C=C(Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1539771227 WULLKRKWTXPQJC-JWQCQUIFSA-N 453.587 2.995 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1540038222 XQJXJZZKNSBKAA-UHFFFAOYSA-N 457.529 2.800 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCN(C(C)C)CC1 1540126249 CPDDRWZSZMBELA-UHFFFAOYSA-N 454.619 2.844 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C 1540151120 DDZQAEDABWVOJL-QFIPXVFZSA-N 480.661 2.826 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1540187196 MBYXJIGQYGKTFO-SFHVURJKSA-N 472.567 2.771 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1540898203 CRVOKTAWKKNJAP-UHFFFAOYSA-N 496.637 2.851 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](SC)C1 1540905177 UITMYCLTVORINV-QGZVFWFLSA-N 455.675 2.957 30 10 JFEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@H](C)C2)C[C@H](C)O1 1545057803 BMHMSHSQLXXJOU-HKBOAZHASA-N 468.602 2.843 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)Oc1ccccc1F 1548174581 FRYYUUSRWILDGA-MSOLQXFVSA-N 480.548 2.798 30 10 JFEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cccc(C)c1 1548371040 FEIKNYVNJKNWBH-OAQYLSRUSA-N 474.483 2.979 30 10 JFEE Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)n1 1554341181 DZJAUWWVAPLYDY-UHFFFAOYSA-N 475.475 2.599 30 10 JFEE C=CC1(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CN(C(=O)OC(C)(C)C)C1 1558397598 RSROTPLYXUILBX-UHFFFAOYSA-N 456.587 2.818 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C3)ccc2c1=O 1559029495 GZAXUYCUYULZGF-ZIAGYGMSSA-N 455.458 2.685 30 10 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453.653 2.929 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1594807733 YFRXQDINEMTKOE-KURKYZTESA-N 462.595 2.561 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595323876 ATFACNAMSNLXDH-OXJNMPFZSA-N 473.419 2.882 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1595490681 WYWCUPRPVDATEQ-PMERELPUSA-N 491.415 2.712 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595700170 LHNJNEUJBKGDQR-QRWLVFNGSA-N 487.409 2.583 30 10 JFEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595890513 WZWVMRVVWWOQMY-SFHVURJKSA-N 476.553 2.539 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)CCOC2)c1 1596438831 QOULOCQUGKCLHY-NRFANRHFSA-N 450.944 2.603 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)ccc2c1=O 1611439323 DXJPYXCOFZBQPC-MAUKXSAKSA-N 456.568 2.953 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CC[C@H]3C(=O)NCCCCCCN(Cc4ccncc4)[C@H]3C2)cc1 1614594883 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C=CCC(C)(C)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690439600 KMTKKRCINMMSHB-DEOSSOPVSA-N 471.606 2.508 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1690676087 PJLAWPRSXVHBTA-SZPZYZBQSA-N 496.656 2.793 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1690700833 YKZCCWVOBUPFFF-YADHBBJMSA-N 453.587 2.898 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690717640 MAHYJMQLMOCIOG-DEOSSOPVSA-N 473.643 2.806 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)Cc1ncc(Cl)n1C 1690725589 VMGUJYYCRPVIAG-UHFFFAOYSA-N 463.007 2.801 30 10 JFEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690737834 YTNQEKTWKSOELY-UHFFFAOYSA-N 482.610 2.928 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNC(=O)c1cc[nH]n1 1691010080 BYTCNHBFIAGIMN-ZDUSSCGKSA-N 477.356 2.913 30 10 JFEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1695588010 HWIGSGXQSIJLGB-VXKWHMMOSA-N 466.586 2.850 30 10 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475.634 2.870 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705702839 KAFBVRFDBFHDTQ-JZXOWHBKSA-N 466.508 2.770 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1705729152 MZNQXPDMUBCMDW-UHFFFAOYSA-N 484.576 2.645 30 10 JFEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705729626 KOVMQCYRRHKIJG-UHFFFAOYSA-N 468.627 2.726 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705730313 HFKAUSRYKOHXFO-CQSZACIVSA-N 451.369 2.685 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccc(OC)c(OC)c2)CC1 1705763654 ZXZJABNNYATWMG-KRWDZBQOSA-N 463.604 2.695 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705906943 UIWXICAIGGBMFX-FQEVSTJZSA-N 495.584 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705936128 KLYACGTXCOKLBD-SFHVURJKSA-N 465.664 2.915 30 10 JFEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1711287303 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COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc(Br)c2)n1N 20292123 MQMQZEQIAKNHIO-UFFVCSGVSA-N 476.360 2.940 30 10 JFEE Nn1c(N/N=C/c2c[nH]c3ccccc23)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20527830 VETFIIYYYWKUIA-LSHDLFTRSA-N 451.472 2.558 30 10 JFEE Nn1c(N/N=C/c2ccc(Br)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 21316055 KJWCUNOXCFNCGY-AWQFTUOYSA-N 491.331 2.839 30 10 JFEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 72461250 PTDLGEUQUFSSCL-QFBILLFUSA-N 488.460 2.675 30 10 JFEE COc1cccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC 97553122 JBHVBJHFYHREPH-DJYGDJEFSA-N 482.533 2.997 30 10 JFEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1 102726040 LOSIOBKCFMNBQI-FEYWKWKCSA-N 466.534 2.933 30 10 JFEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 256424999 JNTQSSGVHLUIBL-SMZHDTDVSA-N 464.643 2.883 30 10 JFEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc4c(Br)cccc4[nH]3)CC2)o1 726011507 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CKOMUAQLVZIQPA-OAHLLOKOSA-N 482.354 2.761 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1286561932 DENOVJIBNAIGQC-JTHBVZDNSA-N 463.586 2.856 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCC[C@H]1C 1292123669 HNPOUFLGWZFQOP-NFQMXDRXSA-N 493.656 2.941 30 10 JFEE COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1296165447 ALQOPTQAQBVOFE-DZGCQCFKSA-N 452.305 2.725 30 10 JFEE CNC(=O)C(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](F)(C#N)C1 1298931546 IBLKVYKHCYMUFY-HSZRJFAPSA-N 477.585 2.607 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1300339638 PZALWKINHDNYHZ-KRWDZBQOSA-N 464.530 2.813 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1300431459 HCENWFPTASWGNJ-PXDATVDWSA-N 467.570 2.554 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300487089 FXBUNVUUIYPTLQ-HXUWFJFHSA-N 472.611 2.787 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300490091 ZGAQNERYOBSIFP-FGZHOGPDSA-N 480.638 2.564 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300505157 YIMVKMUCQPTULW-OKZBNKHCSA-N 460.625 2.862 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1300648246 BCMMBDCVNAWPJB-UHFFFAOYSA-N 488.610 2.649 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C 1300677168 ZQUTVVAHJQNSKK-AXHZCLLHSA-N 461.607 2.987 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCn2cccn2)CC1 1300690828 KCYDTIBBVCNVRX-UHFFFAOYSA-N 484.402 2.758 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCN(CC)CC)CC1 1300699607 FJMFAXKVXNFWDC-UHFFFAOYSA-N 487.693 2.880 30 10 JFEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300981118 RKSUMXDRZDRAQB-UHFFFAOYSA-N 491.614 2.517 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301194927 RYUIBYPLGQQIBK-SFHVURJKSA-N 492.671 2.630 30 10 JFEE 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ACLWNMROHADMGU-IBGZPJMESA-N 481.557 2.715 30 10 JFEE CN(C)C(=O)[C@@H]1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548381869 LJSMNMCJSYHTJV-IBGZPJMESA-N 474.487 2.890 30 10 JFEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)(C)C 1554636353 FKYVZZRFEXNXIZ-AVRDEDQJSA-N 479.629 2.667 30 10 JFEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CN(CC(C)C)CCO2)c1 1554783133 ANLCVRSKQQNDNW-XMSQKQJNSA-N 456.591 2.915 30 10 JFEE COC1CCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 1555159712 ACSJIJZZSMPGDC-UHFFFAOYSA-N 492.628 2.988 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 1556358713 RVUHHYPYLOAJBR-QGZVFWFLSA-N 451.589 2.918 30 10 JFEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1563138442 IDNCGGMFYHZJTP-UHFFFAOYSA-N 454.325 2.599 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1587633900 YYHXDMOLGIFEKN-FHWLQOOXSA-N 479.647 2.818 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1587807569 GQPJIACLMPTQPK-INIZCTEOSA-N 461.563 2.540 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1587808673 UVLJIABJXFGIQU-CRAIPNDOSA-N 451.980 2.533 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1588041619 YQBMFLAGDVZAKY-MRXNPFEDSA-N 477.377 2.717 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588054497 NSXIKKNCESSVAL-HMXCVIKNSA-N 490.601 2.796 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1588069233 JUOPCFGZUOSVTL-IBGZPJMESA-N 454.552 2.742 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1588263297 SDMWWZIUMWCBDC-IBGZPJMESA-N 456.978 2.580 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOc1ncccc1F 1588276580 RBHTVMGOJHBAAW-UHFFFAOYSA-N 471.562 2.619 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN2CCOC(C)(C)C2)CC1 1588750365 CQYXSCWXOUQHFT-HSZRJFAPSA-N 450.631 2.686 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C(C)C)CC1 1588811344 HESFQDAEVAIXLJ-NBGIEHNGSA-N 474.650 2.555 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1588994272 UCTCWVYWHNBUOG-INIZCTEOSA-N 477.432 2.614 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1589287667 CYCPPWXNWDVTPW-MRXNPFEDSA-N 490.406 2.883 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(OC)c2)CC1 1589482082 FXQKCSRSHJWBMJ-DENIHFKCSA-N 468.602 2.733 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCS(C)(=O)=O 1589516304 ZIIUOVXMLYSWEY-GHTZIAJQSA-N 455.584 2.955 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589567248 CHEKUSQAUDTPSW-BSIFCXSSSA-N 464.563 2.601 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1589641949 SEQBIXJJYRDGSM-UHFFFAOYSA-N 465.602 2.705 30 10 JFEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1594752894 TXRKUHUAJTYCGS-DEOSSOPVSA-N 452.559 2.680 30 10 JFEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595366922 UMKVDCPBCUNDBC-WMZOPIPTSA-N 465.562 2.846 30 10 JFEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1596530552 CIFIVVLFIGRXKZ-UPVQGACJSA-N 479.629 2.526 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1612977208 BTJUXZYEYUWLTH-FUHWJXTLSA-N 464.492 2.838 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1614071231 HRQDNOCYPBVTTB-QFBILLFUSA-N 467.574 2.692 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)c3ccc(OCCO)c(OC)c3)ccc2c1=O 1622880642 LXZZCBRSCVAJSP-CQSZACIVSA-N 455.536 2.742 30 10 JFEE C#C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 1628629250 ZRFGFYBQWDYNJS-FQEVSTJZSA-N 450.516 2.790 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCC(C)(N(C)C)CC3)nnc12 1648982171 QWJQQVLSVARCBK-UHFFFAOYSA-N 454.600 2.701 30 10 JFEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 1668976304 HIVUAIMSUMQGEG-INIZCTEOSA-N 455.355 2.690 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCN2CCOC[C@@H]2C)c1 1689872275 SZNLGJUGJCUKAF-IBGZPJMESA-N 452.603 2.644 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(S(C)(=O)=O)CCCC2)c1 1689873436 IPXCWEBPVQJXRV-UHFFFAOYSA-N 469.611 2.644 30 10 JFEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689881204 JULXNPLJPHMYBF-SFHVURJKSA-N 455.950 2.564 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)Oc1ccc(OC)cc1 1690013665 YEGDZQCEWYVTKX-IBGZPJMESA-N 492.605 2.787 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC(C)C 1690087232 PBCXEPQQFRXMKC-UHFFFAOYSA-N 463.517 2.619 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1noc2c1CCCC2 1690097586 JRKGULISLYZHKE-UHFFFAOYSA-N 451.527 2.963 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1OCC[C@H]1C 1690101030 LLHWZRLBTSAAOG-WIYYLYMNSA-N 464.570 2.747 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)N(C)C2CC2)CC1 1690117776 VKOCNJMJCQGDAN-FQEVSTJZSA-N 466.630 2.979 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(CC)CC2)CC1 1690124019 CODOOIWUVGESMY-LJQANCHMSA-N 458.607 2.532 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC(=O)NC(C)C)CC1 1690139373 KGDIUROHRCTTML-UHFFFAOYSA-N 462.554 2.572 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(F)c1 1690156125 RQRAAZJDPFSVAR-QAPCUYQASA-N 451.593 2.735 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(COc2ccccc2)CC1 1690175489 YLLTTYJCHSHFAM-HXUWFJFHSA-N 474.652 2.842 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCC)CC1 1690228597 ASZFUUAMOXOVSJ-CVEARBPZSA-N 461.426 2.874 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1690266013 XUBZBMHSJUOEMH-FQEVSTJZSA-N 459.616 2.527 30 10 JFEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690277202 IKHDFRBECPZVQA-LSDHHAIUSA-N 452.577 2.805 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690338784 JYIDRDVLYBTBAW-AWEZNQCLSA-N 454.756 2.801 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1690559369 DGADYXZQZOUHLT-OAQYLSRUSA-N 485.610 2.524 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1690620385 ZRQYQYPLICCHQC-ZWKOTPCHSA-N 452.559 2.503 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CC(C)(C)CN1CCOCC1 1690666647 BOONUCPCADLNNJ-UHFFFAOYSA-N 477.613 2.590 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690676435 ZTLPECFYYXEZCB-AZUAARDMSA-N 469.542 2.705 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690722887 ZJRNBUABCZLZKF-UHFFFAOYSA-N 461.979 2.632 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC(C)(C)C1 1691001258 FZBLWMKBCWGSJX-GOSISDBHSA-N 462.602 2.910 30 10 JFEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1696210813 GSKIAHWBSXLITH-XZOQPEGZSA-N 479.629 2.765 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCCC[C@@H]2CC)c1 1705507433 BCXLKYTYLNIVHD-QHCPKHFHSA-N 491.640 2.721 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705565528 VMLDYIZYSWGVNL-HXUWFJFHSA-N 473.643 2.897 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705568003 FJESBCYOGFZNRS-FQEVSTJZSA-N 488.564 2.558 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705568341 LKVVTRSUKYWZNV-NRFANRHFSA-N 495.605 2.553 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1705619431 QKBBETIQQNTHTD-RDPSFJRHSA-N 490.601 2.534 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cn2ccc(C)cc2n1 1705621687 KYEVZGTUCSVFCU-UHFFFAOYSA-N 491.983 2.952 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@@H]2CCCCO2)CC1 1705645758 DFTAOSDCFLCPPW-QFIPXVFZSA-N 451.571 2.879 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)N(C)C2CC2)CC1 1705651063 IGSKAXMLHWPYEH-OAQYLSRUSA-N 478.641 2.922 30 10 JFEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705690761 HAGSCHAYRGBYFW-MRXNPFEDSA-N 476.375 2.975 30 10 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457.332 2.890 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705898802 YAQRDJWRJKJNMP-MRXNPFEDSA-N 496.534 2.727 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1705906040 PZMQQPYIMCUANZ-UHFFFAOYSA-N 484.601 2.649 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1705906838 QEXWSZOCNJUBDW-GOSISDBHSA-N 478.391 2.783 30 10 JFEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)CCO1 1706054612 DGEZKTULVKPIFM-OAQYLSRUSA-N 454.575 2.896 30 10 JFEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1708152741 HMFDMGKDOHASJV-QGZVFWFLSA-N 495.632 2.911 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722361167 MELFMOBTNVVRTF-GOSISDBHSA-N 485.997 2.872 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1722364250 FJOQDAAOIGOJDU-TZIWHRDSSA-N 458.653 2.947 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722369379 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C=CCOc1ccc(CNS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)cc1 1211813425 WAAPAQBBXTWTAB-UHFFFAOYSA-N 453.318 2.544 30 10 JFEE C#CCO[C@@H](C)C(=O)Nc1cc(I)cc(I)c1 1274555651 IZVMKUSVSSEEKC-QMMMGPOBSA-N 455.033 2.873 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286268870 BLZTWCJAAYLYGB-KVPLUYHFSA-N 488.633 2.679 30 10 JFEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286314891 IEVPIMQKZPTNQV-WOJBJXKFSA-N 472.659 2.918 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286315076 UJYOFLRUHDNJLP-VQTJNVASSA-N 468.989 2.912 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1286379363 ORKKBWIVQIWXDV-INIZCTEOSA-N 460.604 2.888 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286387112 APAPAUPTOLVLQZ-QZTJIDSGSA-N 476.986 2.927 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(C)(C)O)c1 1286410788 WRDBEDHKEREVOT-JOCHJYFZSA-N 493.608 2.935 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(C)CN(C)C2=O)n1 1286471130 JCUSANSYLJVTJU-XMMPIXPASA-N 499.978 2.699 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286486016 FOGCMFAUCDXFFB-GOSISDBHSA-N 460.623 2.870 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)cc2)CC1 1286488408 NHSINHBJTXATQL-SANMLTNESA-N 465.598 2.641 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286500470 UHRHKWRTFKEISV-SBUREZEXSA-N 458.584 2.713 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286506528 JJQFYBSEFYUOTO-UYAOXDASSA-N 490.674 2.816 30 10 JFEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286712956 PSBSBIZECGFSKS-JOCHJYFZSA-N 466.586 2.537 30 10 JFEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)C(C)(C)C)C1CC1 1286738163 UUYGEBIBQMIPFC-WJOKGBTCSA-N 464.661 2.940 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1 1286769402 UYRLQVCJKYAHQU-HXUWFJFHSA-N 472.590 2.863 30 10 JFEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286833727 MXYLYJTUYFSVOB-NRFANRHFSA-N 472.634 2.670 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)C1 1287787087 AUTGFJLXANZDGZ-NRFANRHFSA-N 466.634 2.526 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300357865 ZXFDUQDJIGVCRP-IBGZPJMESA-N 496.637 2.882 30 10 JFEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CCOC)CC1 1300391453 OBOPRWGDEZOZAK-UHFFFAOYSA-N 462.392 2.898 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccco1)N1CCCCC1 1300505452 AFLZYDYSOVGUPN-HXUWFJFHSA-N 457.538 2.818 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300656412 GWWKTASIYAXSOI-FQEVSTJZSA-N 453.543 2.907 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2nc(C)c(C)s2)n1 1300681469 QTJMBUHXMZVABJ-LJQANCHMSA-N 469.615 2.776 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCC[C@@H](C)C2)CC1 1300710864 OEMVQEZQBBJWSW-YADHBBJMSA-N 485.677 2.837 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2ccc(OC)cc2)CC1 1300718187 DZONQKBWDMOFOP-UHFFFAOYSA-N 463.538 2.900 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCCC2)CC1 1300734268 UVOWQSZQYMIIGV-UHFFFAOYSA-N 453.616 2.747 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300924965 LOKQDBTZGXZVSM-IFMALSPDSA-N 482.629 2.863 30 10 JFEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1300970295 NYATWWKLHOKYKF-IPMKNSEASA-N 454.637 2.803 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301434468 TVBOGBSKZJNNKE-GOSISDBHSA-N 473.647 2.721 30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS[C@H](CC)C1 1301496527 BWYSKQLRDDYRKN-QGZVFWFLSA-N 481.626 2.870 30 10 JFEE C[C@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1305057379 BOSKFNJTPJBXGL-INIZCTEOSA-N 455.517 2.794 30 10 JFEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1305120235 CSYGYZQZMFBFEX-IQGLISFBSA-N 471.569 2.601 30 10 JFEE 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JFNKFMVQCHHXAR-UHFFFAOYSA-N 476.622 2.848 30 10 JFEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359150508 AAIFQUDIRBPYTP-HOTGVXAUSA-N 474.027 2.768 30 10 JFEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359253311 AHFDDWPRPZAOEQ-DEOSSOPVSA-N 474.627 2.859 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1359294999 LQCAFIASMIAEGN-GOSISDBHSA-N 470.643 2.930 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCS2(=O)=O)C1 1359314919 KDENCKHHRIYSKR-HOTGVXAUSA-N 484.420 2.784 30 10 JFEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359573683 CHRALVKNNRHGIO-KRWDZBQOSA-N 485.564 2.644 30 10 JFEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(OCc2ccccc2F)cc1 1435813035 CFVLPJBJMQUEJJ-UHFFFAOYSA-N 453.495 2.760 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c1 1448608759 BGPAJRYFAIINSF-IBGZPJMESA-N 451.589 2.964 30 10 JFEE C#CCC1(NC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CCOCC1 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467.574 2.954 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 1508003065 RVLJCJMPMLXOTM-UHFFFAOYSA-N 450.587 2.852 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1508018903 IPSGSRJBEYFEOI-QGZVFWFLSA-N 459.563 2.615 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1508072384 JLNYWADFNNYKSB-FQEVSTJZSA-N 465.558 2.512 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2C(F)(F)F)C1 1508109969 QADKDKCQJACIKW-CJNGLKHVSA-N 491.511 2.876 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)S[C@H](C)C1 1508149467 VSLFFYQMXLHCRD-CALCHBBNSA-N 466.629 2.797 30 10 JFEE CC(=O)Nc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)cn1 1508284548 CFNBDNFQRGPGQE-KDURUIRLSA-N 488.596 2.764 30 10 JFEE CC(C)(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1508612633 FOLWOHZXASEZTK-UHFFFAOYSA-N 451.619 2.850 30 10 JFEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCCCC1 1508720720 CWQFSAGRIIVALN-HXUWFJFHSA-N 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C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 1760273067 HJOUSKGCVIUCQJ-RTWAWAEBSA-N 481.597 2.647 30 10 JFEE C#CCSCCn1c(N2CCN(c3ccc(Cl)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1760286623 PNNXXRZXMRTRFX-QFIPXVFZSA-N 477.034 2.672 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760315158 AVKJWEKNLVEUDF-XPNTWCBSSA-N 458.651 2.907 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760353516 UWLGUXDJKMPBTN-MHECFPHRSA-N 458.559 2.939 30 10 JFEE C=C(Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1760364406 PGXKYOVECOYSEO-UHFFFAOYSA-N 450.612 2.854 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/c2ccccc2)CC1 1760402557 NDQAVEALLOSPGK-TYOLEZHBSA-N 457.600 2.727 30 10 JFEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760415241 RYVQUAFYRULLKO-UHFFFAOYSA-N 466.630 2.839 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1760518530 BBGDRHWJWZUYLT-SFHVURJKSA-N 450.543 2.872 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1760524737 HMTBMPBDZFLURR-UHFFFAOYSA-N 469.952 2.685 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1760532349 SOHVHWFCPZTICO-QGZVFWFLSA-N 458.588 2.631 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760556701 NCUFSIOZSIIUPK-FQEVSTJZSA-N 484.626 2.726 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(F)ccc2C1 1760557050 YRIVMBSHTMBVTE-UHFFFAOYSA-N 461.588 2.936 30 10 JFEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCN(C)S(=O)(=O)CC 1761918590 DVZJCKKQQYVLHR-GHTZIAJQSA-N 474.631 2.913 30 10 JFEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1nc(C)cc1C 1766646958 DGSVNSMDKHYYHO-LJQANCHMSA-N 469.615 2.980 30 10 JFEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1767303584 AUXMVFXALKDAEB-UNMCSNQZSA-N 479.585 2.790 30 10 JFEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOc1ccc(F)c(F)c1 1767942604 IDDAXMUVOJVRPL-INIZCTEOSA-N 484.511 2.549 30 10 JFEE 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C=CCN(CC=C)c1nc(=NC[C@@H](c2ccc(O)cc2)N(C)C)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871537383 IUFKQDHBYRZBFX-NRFANRHFSA-N 489.580 2.787 30 10 JFEE Cc1ccc2nc(C3=C4NC(=O)c5cc(I)ccc5N4CC3=O)[nH]c2c1 1872729938 BPGNQRHJVVRMDZ-UHFFFAOYSA-N 456.243 2.977 30 10 JFEE Cc1nc([C@H](C#N)C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)sc1C(=O)N(C)C 1872797343 IHXHRUDIYMTUJW-JRMCHAMMSA-N 451.596 2.661 30 10 JFEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(N4CCC(C)CC4)cc3)C2)CC1 1872937564 KCBSOYVEDGTCPR-NRFANRHFSA-N 452.599 2.817 30 10 JFEE COc1ccc(N2C[C@@H](c3nnc(SCCCO)n3/N=C/c3ccccn3)CC2=O)cc1 1874200831 LSFUNRFVOMOGGA-GCMSVZMUSA-N 452.540 2.559 30 10 JFEE CCc1ccc(NC(=O)CSc2nnc(CNC(C)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874431182 FXEXJNPPVWMQAW-WYMPLXKRSA-N 481.538 2.998 30 10 JFEE O=C(CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc2c(c1)OCCO2)NCc1ccco1 1874444165 BBVRHANHDNVJHN-SZMVHAFZSA-N 469.523 2.785 30 10 JFEE O=C(CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(O)c(O)c1)NCc1ccccc1 1874463418 IHOXXEXMQBOTPS-YSURURNPSA-N 451.430 2.999 30 10 JFEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](Oc4nccnc4OC)C3)n[nH]2)c1C 1889970456 OBSMNOOEKGNFPZ-QGZVFWFLSA-N 451.531 2.948 30 10 JFEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2nc3nccnc3cc2Br)CC1 1891231493 SBOTZKRHMHLWPX-UHFFFAOYSA-N 452.316 2.795 30 10 JFEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(C#N)c1 2117923952 BCIFAMZWGVSNEX-UHFFFAOYSA-N 461.563 2.848 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(F)(F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180981189 QZRBRYGZNUACEA-CQSZACIVSA-N 468.310 2.653 30 10 JFEE Cn1ncc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1CNC(=O)OC(C)(C)C 2180984700 KQJKZBZWPXWDDY-UHFFFAOYSA-N 456.352 2.996 30 10 JFEE CC1(C)OB(c2ccc(NS(=O)(=O)N3CC(OCc4ccccc4)C3)c(F)c2F)OC1(C)C 2239855345 NMHLPOUTCUDYEB-UHFFFAOYSA-N 480.342 2.822 30 10 JFEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2247773934 QIYIHRPFVXNUDG-KRWDZBQOSA-N 471.388 2.925 30 10 JFEE Cc1sc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2255602791 XKGLIQYHSMWSQF-UHFFFAOYSA-N 452.382 2.945 30 10 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C[C@@H]1[C@H](NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282840627 IEJXFUCOOVZQJM-VQIMIIECSA-N 480.436 2.803 30 10 JFEE C[C@@H]1[C@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282847016 RXLYNZFJOSUKIO-RDTXWAMCSA-N 484.399 2.801 30 10 JFEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282857726 LYINDJUIMGAMTA-QWHCGFSZSA-N 496.382 2.515 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282860007 UIAHRFTVSUTZSV-SNRMKQJTSA-N 478.420 2.520 30 10 JFEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2282966890 LYYOKBZWZALZFC-VQTJNVASSA-N 496.369 2.926 30 10 JFEE C[C@H](NC(=O)c1coc(CNC(=O)OC(C)(C)C)n1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283928805 FCGQYSJZXSUASE-LBPRGKRZSA-N 478.380 2.946 30 10 JFEE Cc1ccc(NC(=O)[C@]2(CO)CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283964156 LWKCTFPITHEVNI-XMMPIXPASA-N 460.380 2.995 30 10 JFEE 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CC(=O)OC[C@@H]1O[C@H](Oc2ccc(Cl)cc2Cl)[C@H](/N=C(/C)O)[C@H](OC(C)=O)[C@H]1OC(C)=O 328590673 XPAAADFOPLSXHD-WPVAHCMFSA-N 492.308 2.869 30 10 JFEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 506451513 BTFBRRAWIHJSGZ-KDURUIRLSA-N 489.576 2.988 30 10 JFEE C=CCOc1ccc(NCC(=O)Nc2nc(C)c(C(=O)OC(C)C)s2)cc1-n1cnnn1 586269380 UQKWOBLEAOXOOP-UHFFFAOYSA-N 457.516 2.608 30 10 JFEE N#Cc1cccc(C(=O)Oc2ccc(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)c1 586537441 PHMVXOAKWCYHTN-UHFFFAOYSA-N 464.503 2.789 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 704311044 SFAXWMANYLXSKL-UHFFFAOYSA-N 484.383 2.722 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H](CC)CCCC 729670100 ILAANHRYGUMZHG-SFHVURJKSA-N 463.607 2.579 30 10 JFEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3ccc(Br)cc3)n2N)n1 1084635146 ZDWODVGMLGMVMP-UHFFFAOYSA-N 467.378 2.696 30 10 JFEE C=C(C)Cn1c(SCC(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)nnc1-c1ccco1 1124590941 FEZUHOXUCKTKTG-SFHVURJKSA-N 453.524 2.747 30 10 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CC(C)(C)OC(=O)N1CC[C@]12CCN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2282333215 LSGUSYFBDJSWCC-QHCPKHFHSA-N 478.420 2.760 30 10 JFEE CC1(C)OB(C2(C(=O)N3CCO[C@@]4(CCCN(C(=O)C(F)(F)F)C4)C3)CCC2)OC1(C)C 2282485934 NIJFQOISGJAUNJ-LJQANCHMSA-N 460.302 2.785 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282495541 NSICIINUOLQBMV-DOTOQJQBSA-N 498.476 2.818 30 10 JFEE CC1(C)OB(c2ccoc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2282532995 FZXNAYVJTXZUTP-CLOONOSVSA-N 452.360 2.600 30 10 JFEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282536049 XDCJLJAUHYHCDC-JKSUJKDBSA-N 481.399 2.601 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2282591216 MYJKIVFREVOXCL-WBVHZDCISA-N 462.400 2.578 30 10 JFEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC3(CC(OCc4ccccc4)C3)C2)OC1(C)C 2282842741 CFXGKMJUCYUQBU-UHFFFAOYSA-N 490.456 2.953 30 10 JFEE CC(C)(C)OC(=O)N1CC=C[C@@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282846233 GVKBJLFJFXZQLE-OAHLLOKOSA-N 482.383 2.579 30 10 JFEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2282980531 PACBFWNQXMDASR-SFHVURJKSA-N 496.369 2.880 30 10 JFEE COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283968875 NKINZUCZDOKBRP-MRXNPFEDSA-N 467.347 2.778 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 2283977602 RFSFUIGDCIKONZ-MAUKXSAKSA-N 480.436 2.996 30 10 JFEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](C)c2nscc2B2OC(C)(C)C(C)(C)O2)CO1 2283983074 GARQNLGHVNZCAM-FMKPAKJESA-N 481.424 2.644 30 10 JFEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2283985138 FRXUINLBXKJIJR-IBGZPJMESA-N 462.396 2.874 30 10 JFEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1(O)CCC1 2284033824 KQRMMMJABCNEFC-KRWDZBQOSA-N 480.436 2.814 30 10 JFEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1(C)C 2284060602 PJABQQSVXQVXNU-MZNJEOGPSA-N 460.380 2.979 30 10 JFEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284429614 HQHGOKWTAMSZLQ-KSSFIOAISA-N 474.750 2.823 30 10 JFEE C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCC(=O)OC 2294094905 CWNXBICRWLJYCB-UHFFFAOYSA-N 464.474 2.950 30 10 JFEE Cc1ccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)o1 2296154721 YBWJAGZDXUFSCL-QFIPXVFZSA-N 468.506 2.503 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315689869 KDBMPUJDQLCUSM-CQSZACIVSA-N 451.398 2.914 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2327808905 OXGFFPYNYLIRMX-INIZCTEOSA-N 488.614 2.646 30 10 JFEE CCOc1ccc(OCC(=O)N[C@H]2CCNC[C@H]2C(=O)C=Cc2cc(OC)ccc2OC)cc1 2328140455 SIMIDACZEFCRJF-PKTZIBPZSA-N 468.550 2.858 30 10 JFEE CC(C)(C)OC(=O)NCC12CC(C1)[C@H](C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CO2 2342783820 ZFNSUXSBJAOKBD-IYZJKTGWSA-N 454.571 2.543 30 10 JFEE CCN[C@@](C#N)(Cn1cnc(I)c1I)[C@H]1CC1(F)F 2352292810 DSTDLEQDEGUDHC-XCBNKYQSSA-N 492.049 2.619 30 10 JFEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2361662070 GEBSFCJHDVOXDU-NRFANRHFSA-N 467.322 2.755 30 10 JFEE C=CCn1c(=C2SC(=S)N(CC)C2=O)sc(=C2Sc3ccccc3N2CC)c1=O 6089248 NTKPNHNOZYEIGJ-UHFFFAOYSA-N 461.659 2.782 30 10 JFEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1 20905181 NQJWMEKKBLHUQO-AUEPDCJTSA-N 495.569 2.649 30 10 JFEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSCCC(=O)O 118912894 XDGQFAAXMMOJNT-RPPPWEFESA-N 450.597 2.997 30 10 JFEE CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 135927055 JZPWITJZINYWPP-WOVYWWTOSA-N 459.495 2.586 30 10 JFEE N#C[C@]1(N)CCC[C@H]1CCn1cnc(I)c1I 306073917 YBQKDNPKKOZEGK-GZMMTYOYSA-N 456.069 2.504 30 10 JFEE CC(=O)O[C@H]1CC[C@]2(/C=N/O)[C@@H]3CC[C@@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]4(O)[C@H]3CC[C@@]2(O)C1 504798675 XEZYOTFVCGERLI-OVWOKRENSA-N 461.555 2.730 30 10 JFEE N#Cc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 505649792 YSNQQWUZFPWKQC-UHFFFAOYSA-N 453.499 2.789 30 10 JFEE CON[N+](=O)CC(=O)N1[C@H](c2ccc(Cl)cc2Cl)N(S(=O)(=O)c2ccccc2)C[C@H]1C 585088948 PWHMSWKFLWTSTN-BFUOFWGJSA-N 488.373 2.759 30 10 JFEE CC(C)(C#N)NC(=O)c1cc(I)cc(I)c1O 701292819 GLTCRVHUMBLZBW-UHFFFAOYSA-N 456.021 2.633 30 10 JFEE C[C@H]1Oc2ccc(-c3csc(=NC[C@@H]4CCCO4)n3N=Cc3ccnn3C)cc2NC1=O 727972465 UXGRHXVJWGSWJG-PBHICJAKSA-N 452.540 2.631 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)cc1 730779331 IITXEUKYPIYJIM-PAXLWEDBSA-N 454.548 2.606 30 10 JFEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c(C)c1 1084505302 DZVCYXFBPGDUTI-UHFFFAOYSA-N 456.576 2.794 30 10 JFEE N#Cc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084564650 IDHZVXFXVHPLDF-UHFFFAOYSA-N 467.427 2.670 30 10 JFEE C=CCCOCCNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1127725529 UOVFPEXENIIXPD-UHFFFAOYSA-N 450.479 2.695 30 10 JFEE Cn1nc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)c(Br)c1C(F)(F)F 1130952112 FQUDAFBTMMRIOM-UHFFFAOYSA-N 454.210 2.965 30 10 JFEE CC#CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1144923440 PJYKOCWZLWWDIE-QGZVFWFLSA-N 451.342 2.754 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 1264609674 ZOMOIVBHUZLNQP-IFMALSPDSA-N 457.552 2.660 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 1278477964 OJJKBKIFNDTVJJ-UHFFFAOYSA-N 458.252 2.925 30 10 JFEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1286353625 YPFPJSSCVJBTBO-MRXNPFEDSA-N 487.523 2.894 30 10 JFEE C#CCN(c1nnc(COCC)n1CCc1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 1286398587 ZCCSZXGAFUCBDC-CQSZACIVSA-N 487.445 2.508 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286435950 OLZZYOYSDPOSLA-QGZVFWFLSA-N 453.547 2.784 30 10 JFEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccccc1F 1286462633 PSDVENBFFLDFIQ-UHFFFAOYSA-N 470.574 2.706 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC=CCO2)CC1 1286474734 POAQUJUGDGWEKK-KRWDZBQOSA-N 460.351 2.947 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)cc2OCCOC)CC1 1286481436 VOSDORZHPDMCIX-JOCHJYFZSA-N 453.587 2.657 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286500900 GVGMCICCAXICDF-INIZCTEOSA-N 468.410 2.960 30 10 JFEE C=C(C)Cn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286599411 UCDHKKIVEXTTIC-HSZRJFAPSA-N 458.563 2.590 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286670022 AUFJNZDSBTXRSP-HNNXBMFYSA-N 456.572 2.820 30 10 JFEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286714583 SVVHATDXXZZPPV-FQEVSTJZSA-N 461.513 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286819446 LAIYFEQGWKKGSM-UHFFFAOYSA-N 483.520 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286822228 AVOUIWZLRURPNI-DETIRCLXSA-N 474.627 2.672 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCN(CC)CC1 1300308000 LCLMWFGVGYCGDB-RTWAWAEBSA-N 487.693 2.877 30 10 JFEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300393269 CHLFGCOYFBHHEW-HNNXBMFYSA-N 467.389 2.753 30 10 JFEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300428769 NINJGFDOWJQJKG-SFHLNBCPSA-N 462.602 2.987 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1300488832 GYTQGUVFIXJUKX-PBYQXAPXSA-N 481.043 2.526 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCN(C)C(C)(C)C1 1300519894 CWMJJGGZKQGIBQ-UHFFFAOYSA-N 487.421 2.946 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(F)(F)C1 1300664656 SXFLYTKSYVBWDS-INIZCTEOSA-N 456.497 2.713 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(O)cc2)CC1 1300770080 NHBJLEWMORFJOV-UHFFFAOYSA-N 451.600 2.538 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1300780937 ZGARBZUBSMVQQU-YCRPNKLZSA-N 463.554 2.890 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1301499659 DCVMIUMGTBWKDF-HUUCEWRRSA-N 451.980 2.767 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1301514671 LHHKOIIRWGHUOI-UHFFFAOYSA-N 463.586 2.889 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](OC)C1 1301592860 FGDKZDSDIGMGQW-SFHVURJKSA-N 499.431 2.836 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301593635 RPCLOHDOZRCCRL-KRWDZBQOSA-N 474.505 2.534 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1301596614 UGWVUHXWXNQKRC-OMZCGLGVSA-N 452.621 2.618 30 10 JFEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1301617429 DZJOHVUBQZLFTP-HXUWFJFHSA-N 467.647 2.954 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)c1 1301870402 YKJVJCVTLWCQCJ-PLQXJYEYSA-N 451.592 2.582 30 10 JFEE CCn1nc(-c2nnc(N(CCC#N)CCOC)n2C[C@H]2CCCCO2)c2ccccc2c1=O 1313962049 CXGADEHIMKQMAW-GOSISDBHSA-N 465.558 2.610 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1358874494 XVNCRLCLVYXVPI-PIBDYAPNSA-N 471.602 2.752 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1358918683 CRYXDBHJUPTECT-OALUTQOASA-N 454.962 2.522 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1358934483 COJXRMCEIXKFFS-QGZVFWFLSA-N 466.007 2.690 30 10 JFEE C#CCCCn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358935549 MMNBQPROAUMOPE-HYBUGGRVSA-N 453.591 2.627 30 10 JFEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(OC)c(OC)c(OC)c1 1358997577 XUJQGJWCMIOLAF-UHFFFAOYSA-N 462.554 2.677 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359059678 WGXNRDPHDQGUJS-SFHVURJKSA-N 467.599 2.598 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCc1ccccc1 1359098645 DGUGEEFJQGWRNN-FSSWDIPSSA-N 474.627 2.814 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359331359 WNJBHMJUBBGGTK-GOSISDBHSA-N 474.612 2.592 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 1449155037 DSURRWQTUGYXQT-BBWFWOEESA-N 459.971 2.919 30 10 JFEE C#CCN(CC(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)C(=O)OC(C)(C)C 1453968468 FADVAVKKJVZBQL-UHFFFAOYSA-N 451.523 2.704 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)OCC 1471116413 WWGJPDHKQOKVJO-LJQANCHMSA-N 450.944 2.969 30 10 JFEE C#Cc1ccc(NC(=O)CCN2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1473526931 AMHYXAFYDOCQDM-NRFANRHFSA-N 452.559 2.950 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)CC1 1476098163 AZGLGODNSDDTBD-IBGZPJMESA-N 456.568 2.752 30 10 JFEE C#C[C@@H](NC(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1)C1CCOCC1 1477901595 RJVJTWYFNQQVMI-JOCHJYFZSA-N 457.552 2.724 30 10 JFEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)OC 1497208880 DAMMZJCKNWCXNS-FQEVSTJZSA-N 462.558 2.675 30 10 JFEE CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1502419001 HLUXFIPBWHKMBD-IBGZPJMESA-N 487.612 2.651 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC(F)(F)F)C1 1507532044 FQCSXXITOZJHOV-HOTGVXAUSA-N 473.503 2.534 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1507539163 RUBBZHRCXZMMHT-FUHWJXTLSA-N 467.551 2.532 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCC[C@@H]2C)c1 1507548152 PGQURYKZBMMLLM-QYBDOPJKSA-N 480.613 2.804 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@H]2C(C)C)c1 1507549872 RCVNCFLWFGXKRS-XXBNENTESA-N 459.554 2.852 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)c1 1507550693 PJLOSTBKHCLBTR-ROUUACIJSA-N 491.564 2.672 30 10 JFEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1507604819 MLPLDMOWAIFQBC-WIOPSUGQSA-N 453.587 2.845 30 10 JFEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1507637636 LPUDBAMJGOBGCI-SNJCGAMXSA-N 486.638 2.741 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccsc1 1507652220 GLYLFCYRUDYFKK-IBGZPJMESA-N 455.584 2.964 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507681265 VFUKGFMYMZQPQE-MRXNPFEDSA-N 469.533 2.692 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(NC(C)=O)nc1 1507709494 VCCKQUBICRLJOZ-UHFFFAOYSA-N 455.522 2.981 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCN(CCN(C)C)CC2)CC1 1507718687 GIZYABXVGSNTJC-QFIPXVFZSA-N 497.663 2.586 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCOC)CC1 1507740589 CBLYWQLNHYKMAA-FQEVSTJZSA-N 488.633 2.743 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2OCCC2(C)C)CC1 1507740892 QMGLWTYMBXAOEJ-QFIPXVFZSA-N 465.598 2.681 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507763936 GZRDPWMWLRZWRI-HRAATJIYSA-N 492.443 2.981 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507911816 AYAJZFDJNDWKDJ-UHFFFAOYSA-N 468.650 2.852 30 10 JFEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508070983 PGRAVRHJFLUNLX-UHFFFAOYSA-N 462.558 2.682 30 10 JFEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1508093411 VABIPSZOGDXHRK-UHFFFAOYSA-N 450.547 2.608 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1508095327 WENUYTXIPSOCCV-LJQANCHMSA-N 465.558 2.514 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(=O)NCCC)C2)cc1 1508097540 QRYXMNHOZNWLDH-OAQYLSRUSA-N 480.613 2.870 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCO[C@@H](C)C1 1508131124 KUVVXPJQMUQYJS-IRXDYDNUSA-N 452.552 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1508146112 UINRRKRMYZDCQG-UHFFFAOYSA-N 492.045 2.618 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1509633083 CNEFNQUWIDGQBF-QFIPXVFZSA-N 465.602 2.620 30 10 JFEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)no1 1513738539 BYGHQWGHDDSBNS-MRXNPFEDSA-N 451.531 2.921 30 10 JFEE CO[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1518562057 FBVBUZXUNOIQDZ-BAGYTPMASA-N 486.642 2.740 30 10 JFEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc4ncc(Br)cn4n3)CC2)c1 1536590580 CSURXFGBAFPMRT-UHFFFAOYSA-N 453.300 2.854 30 10 JFEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1539058738 JBHIITZROUGKCA-UHFFFAOYSA-N 477.569 2.891 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539215767 IHRQZRLBTGQDCO-TZIWHRDSSA-N 459.616 2.726 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N[C@H](C)CC 1539263319 FDTGDBMGPVJDMJ-WOJBJXKFSA-N 470.618 2.770 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H]1C(C)C 1539384499 JNNCOLNAIVOPNR-CUWPLCDZSA-N 477.606 2.728 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccncc2Cl)CC1 1539434878 WZVKELGSUBWGSZ-UHFFFAOYSA-N 452.946 2.814 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCC(C)C)CC1 1539480901 GDNLEYCSMUSMSB-HSZRJFAPSA-N 481.597 2.819 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1539482196 JQOVSBHYUGZMPU-AREMUKBSSA-N 493.011 2.791 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1539612588 ODNSJLPFNVYEEU-AOUJKTHWSA-N 475.634 2.952 30 10 JFEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539811106 BBWBLRBRZZFEOT-HXUWFJFHSA-N 465.067 2.914 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539859375 NDOYOCZPMVDPQK-DQRAZIAOSA-N 452.490 2.679 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540867942 MXCLSGUZIQMXRN-CRAIPNDOSA-N 458.538 2.736 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](CC)O[C@H](C)C1 1540870863 YPWKZRHQOQLSBS-QRVBRYPASA-N 476.622 2.699 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2SC)C1 1540892027 CZQNPXJEGYKEGH-YJBOKZPZSA-N 466.604 2.871 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1540900910 MRDWKUARLLTGSJ-NRFANRHFSA-N 472.659 2.889 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1540901093 SGSOQKJWNUDWSL-GOSISDBHSA-N 457.600 2.900 30 10 JFEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)c1cccs1 1541990265 CSDCTHDFSOKUHS-VGOFRKELSA-N 492.671 2.780 30 10 JFEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCO1 1555387754 AIJSLMAFRMUUDA-HXUWFJFHSA-N 468.558 2.535 30 10 JFEE C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)C(=O)OC 1556375749 RJSPTTPZJLFRNM-SFHVURJKSA-N 452.916 2.615 30 10 JFEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1587985329 YSSNMPTVRNQPLD-UHFFFAOYSA-N 473.585 2.663 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1588046024 VXIYMJMNCKLBIX-RTWAWAEBSA-N 485.654 2.845 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1588049136 ARCNKWVMGSXYJK-IBGZPJMESA-N 471.970 2.699 30 10 JFEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1588985487 UGPUUIVBHAGADA-QZTJIDSGSA-N 476.599 2.550 30 10 JFEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1588985627 VWNACXRQHDQCSM-NHCUHLMSSA-N 456.637 2.813 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1589070878 YPHBHRIDSVFEDN-FCHUYYIVSA-N 487.695 2.647 30 10 JFEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1)c1ccccc1 1593782052 FIUJDCYBQCBTFI-INIZCTEOSA-N 471.587 2.677 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCCC1 1595108634 FUYQRKJRHBYEBQ-UHFFFAOYSA-N 459.616 2.966 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1595759609 GQVFUDSXTZWHKU-NRFANRHFSA-N 459.616 2.526 30 10 JFEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1)N(C)C 1603233303 DVBHNYDPVBXLKH-SFTDATJTSA-N 465.602 2.516 30 10 JFEE CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(S(C)(=O)=O)CC2)c2ccccc2c1=O 1611302305 GMKHIVLJLAFAFK-MRXNPFEDSA-N 483.598 2.551 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCCCCC1=O 1613313948 CJGLWJHZGHMRDQ-IBGZPJMESA-N 481.649 2.825 30 10 JFEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1615907322 FQVSSSHYURDLML-OAQYLSRUSA-N 492.628 2.561 30 10 JFEE C#CCCN1CCC(NC(=O)c2ccccc2Sc2ccc(S(=O)(=O)NC)cc2)CC1 1629897771 SXABELJEZJOOSJ-UHFFFAOYSA-N 457.621 2.963 30 10 JFEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccnc2)n1 1632090048 JIPQTOUKFAONCC-MAUKXSAKSA-N 469.596 2.743 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2Cl)C(=O)OCC)c1 1634534597 CMLQQPASSPYNAR-IBGZPJMESA-N 450.944 2.709 30 10 JFEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1643086006 BKUWTGYREFMDKJ-AHRSYUTCSA-N 466.504 2.870 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 1658067826 VONYIOPGWIFXHG-UHFFFAOYSA-N 453.561 2.535 30 10 JFEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1660796440 GBXIJLBEOSKAFP-UHFFFAOYSA-N 457.556 2.508 30 10 JFEE CC(C)(CC#N)CS(=O)(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1661563264 CEMDWJLSDWYNRZ-UHFFFAOYSA-N 451.408 2.861 30 10 JFEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)nn1 1662178727 LHTRYCPOVJMEMF-UHFFFAOYSA-N 456.528 2.904 30 10 JFEE C=CCN(C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1668427017 LNNQJZBJOIVWOF-QGZVFWFLSA-N 450.561 2.582 30 10 JFEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](CO)c3cccc(Br)c3)C2=O)cc1 1681300339 FYQNOCWZTIPFQH-MOPGFXCFSA-N 457.328 2.849 30 10 JFEE C=CCn1cc(CNC(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)nn1 1683315665 YNYIVCOXBUBTFE-UHFFFAOYSA-N 452.328 2.957 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)c1 1689873661 QYUNMJRGIZEUMX-UHFFFAOYSA-N 499.556 2.839 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1689999488 BZWYWRGBUQJUME-HSZRJFAPSA-N 467.577 2.563 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690235158 YNTYUKQBTKYXHD-IRXDYDNUSA-N 464.364 2.646 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC)c(OC)c2)CC1 1690396819 NJVSRZWDMWRSMT-INIZCTEOSA-N 463.604 2.746 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C(C)C 1690581073 KGJXXCLXBUDFCB-QFIPXVFZSA-N 499.704 2.907 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1690609165 FVCLSUYFCYFKKU-VGSWGCGISA-N 476.624 2.978 30 10 JFEE C=CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690651307 JOQBXJYJKOQXMH-PGRDOPGGSA-N 456.566 2.561 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ncnn1CC(F)F 1690663587 AZZDUIPONFBCOV-UHFFFAOYSA-N 468.871 2.533 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1690725723 ZUIZSVZVFZOBGT-UGKGYDQZSA-N 467.595 2.831 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)C)C2)C1 1690812079 GMXUHRWWGNDUKJ-FYYLOGMGSA-N 466.586 2.848 30 10 JFEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C[C@@H](C)O1 1694966468 CAQWNUBQKZANSR-TZIWHRDSSA-N 468.602 2.843 30 10 JFEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1695314617 AISADQCQNJZQBT-UHFFFAOYSA-N 475.645 2.994 30 10 JFEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1705570278 NSPWRDOGSUDELG-QFIPXVFZSA-N 469.611 2.644 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705578399 QQWUIAVTWVNXJV-OAQYLSRUSA-N 491.514 2.688 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(C)COCCO1 1705623636 YRBNYBWBRICFGQ-NRFANRHFSA-N 479.375 2.608 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCc1cccc(C(=O)NC)c1 1705623858 GWOQGYTWZZAACC-UHFFFAOYSA-N 452.946 2.682 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1705708839 HYLIDZQTUYLBQA-YADARESESA-N 486.592 2.696 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705710147 VLGDJONLZFXWNU-KNKQGSTJSA-N 460.600 2.770 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OCCOC)C1 1705725697 NPFANGWUBKHVAS-RTBURBONSA-N 465.595 2.794 30 10 JFEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705735272 MXORMZORXVXTBZ-SFTDATJTSA-N 468.650 2.964 30 10 JFEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 1705743635 DJOBZTJLSXSMGT-FQEVSTJZSA-N 450.587 2.807 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705748954 GKPYMNBBKDSGCO-HLLBOEOZSA-N 498.005 2.726 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 1705755314 QVNOEAQKKDGUMI-KRWDZBQOSA-N 483.013 2.821 30 10 JFEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705788366 YIBOVAGRFXTDTB-QZTJIDSGSA-N 458.559 2.925 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705799595 BBEPPLWFAKTYMS-NRFANRHFSA-N 466.634 2.886 30 10 JFEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1705805330 DVZVDZIPNXFIOY-FQEVSTJZSA-N 478.638 2.711 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1705875981 MDJPDLMTHRHLIZ-HXUWFJFHSA-N 482.585 2.912 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1705890492 SITFGAUZRHNMMN-NRFANRHFSA-N 454.623 2.575 30 10 JFEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1705892189 JNYUECNPIOYPPO-UHFFFAOYSA-N 465.627 2.714 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](OC)C1 1705930919 YSWYFYZEDSYFIZ-MAUKXSAKSA-N 454.980 2.897 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(OC)c(OCC)c(OC)c1 1722294468 WSDNETPUZYTMOS-OAHLLOKOSA-N 467.526 2.928 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCO[C@@H]2CCOC2)c1 1722310711 ZRMZVFQQIVAKRC-JOCHJYFZSA-N 474.565 2.900 30 10 JFEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722320484 ZPATUYQIACQCHR-JOCHJYFZSA-N 470.662 2.889 30 10 JFEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1722353330 NVBKQPNJGHDHPJ-UHFFFAOYSA-N 475.578 2.626 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722369961 DEDSYIHGTWUWLH-UHFFFAOYSA-N 469.899 2.723 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722372362 VEGWRORIYFEGTK-DHIUTWEWSA-N 499.681 2.914 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nc2cccc(Cl)c2n1C 1722373315 HDTMRTRGNGPRRX-XMMPIXPASA-N 466.973 2.980 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)coc2C)CC1 1722449172 HPPGPBKTDXCQHO-UHFFFAOYSA-N 472.549 2.953 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1722449355 PYQPCDZWBKFWCW-IBGZPJMESA-N 476.556 2.836 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1722466663 CBZXQTZHDCOQCQ-KSFYIVLOSA-N 454.556 2.584 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722492601 DASXATKZLJJSIU-OMANQYLTSA-N 461.607 2.562 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722544653 KMJSNJLISZXGSW-UHFFFAOYSA-N 471.005 2.922 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCC)c(OC)c2)CC1 1722559701 GEDABLWOSWKADF-KRWDZBQOSA-N 463.604 2.890 30 10 JFEE C=CCCCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1722598634 MCIOLBAXSPMRQI-CYFREDJKSA-N 479.622 2.921 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722621724 CZXHMRCTZWUZET-HXUWFJFHSA-N 498.447 2.654 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1722625043 NKLSGWJNLFLSCF-UHFFFAOYSA-N 479.585 2.881 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1722663698 GABDCXJNYLEFFV-FUHWJXTLSA-N 465.645 2.911 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(F)F)CC1 1722693703 XWHOGARDJSTQJF-UHFFFAOYSA-N 487.324 2.536 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722704448 TYWBQLCHSXCNGV-HOYKHHGWSA-N 487.626 2.656 30 10 JFEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CCO1 1723706557 ADRQGTPRWFGORI-FUDKSRODSA-N 469.586 2.910 30 10 JFEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1728586363 HFTROFOZKZUDIB-REWPJTCUSA-N 451.619 2.848 30 10 JFEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)C1CC1 1729315976 BOBIRGAZUMAPEV-OAQYLSRUSA-N 464.618 2.787 30 10 JFEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)c1ccsc1 1729316178 DPWPDFZDGXQZEG-OAQYLSRUSA-N 479.610 2.652 30 10 JFEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC(C)C)C2)c(OC)n1 1730153441 CTMPHXULENXKOD-OAQYLSRUSA-N 478.553 2.907 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1740541242 VPTCWIRVLYRTLZ-IRXDYDNUSA-N 474.403 2.969 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC2CCOCC2)CC1 1740566718 XKSITBWORCZLLS-UHFFFAOYSA-N 485.654 2.701 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1740588544 APVVEZSROXNZCX-LJQANCHMSA-N 489.624 2.984 30 10 JFEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740621429 XKFPIJQOGOIHMT-HXUWFJFHSA-N 465.579 2.713 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628402 PZNNAMHUDUUQFC-QFIPXVFZSA-N 499.681 2.914 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(S(C)(=O)=O)cc1 1740681827 WIPHPHQBIIGIFB-UHFFFAOYSA-N 473.986 2.726 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2cnnn2C)CC1 1740690787 NRGJGUOSJQYADM-SFHVURJKSA-N 468.993 2.620 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1740722509 GGFFTRWLXYYISI-IBGZPJMESA-N 498.657 2.833 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740789877 RLPCGHKXGHRCCZ-UHFFFAOYSA-N 453.996 2.709 30 10 JFEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1740887931 MXHNBPPMTRCFQU-RBBKRZOGSA-N 492.617 2.862 30 10 JFEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1740942110 BZUYXUWUHCHKIO-LJQANCHMSA-N 488.633 2.829 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740956002 KHLOQUJCSOPHFU-UHFFFAOYSA-N 484.910 2.796 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](COc2ccccc2)C1 1740962101 SITIIZDPWZYTMI-GOSISDBHSA-N 452.584 2.841 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740964146 JEADYHYGSHXRRF-UHFFFAOYSA-N 469.439 2.646 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740990145 JYWYSAWOSOGRCG-FQEVSTJZSA-N 494.621 2.739 30 10 JFEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(=O)OC)C2)CCC1 1746492216 FUNZTMDGBNSWKV-IBGZPJMESA-N 450.543 2.513 30 10 JFEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccsc2Br)CCO1 1748206776 FYDQWTSGYABDMT-INIZCTEOSA-N 487.383 2.640 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccnc1OCCOC 1748647879 UNWIYZCNCFSHAJ-CQSZACIVSA-N 459.348 2.962 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748812213 SJUSDYOIWRXTJC-PKOBYXMFSA-N 471.558 2.517 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748820971 KLTZIAGZXFHGRI-FSSWDIPSSA-N 486.638 2.773 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1748971401 NYIKZXDRYDTCCT-JOCHJYFZSA-N 463.630 2.634 30 10 JFEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1748991860 DCTWJFMHFNEMBS-GOSISDBHSA-N 458.588 2.508 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1748999549 ZVZFJEKJQQLQLH-UHFFFAOYSA-N 498.628 2.878 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCN(CCC)CC2)CC1 1749003866 YADUYNSDVFVMRZ-UHFFFAOYSA-N 493.612 2.941 30 10 JFEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCCCC2=O)CC1 1749086357 JJDJTBZZBGCFBH-MRXNPFEDSA-N 470.412 2.892 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCn2nc(C)nc2C1 1749103865 FQFLCLWQPKVICB-UHFFFAOYSA-N 450.291 2.976 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1749195357 MVDRXHJZCIBODZ-WOJBJXKFSA-N 478.638 2.710 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1749343325 ZTEHWTGUEZZLMZ-FGZHOGPDSA-N 488.658 2.848 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)Cc1ccccc1 1749488427 KKJMNBJKSWCETE-UHFFFAOYSA-N 481.626 2.689 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1749608132 OLWHYAGZNHHJPM-KRWDZBQOSA-N 491.434 2.557 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749651129 OEJAAPISNWSIMN-RBUKOAKNSA-N 489.020 2.532 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1749689315 HCJNTWJJHQIDDP-UQBPGWFLSA-N 469.586 2.600 30 10 JFEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCOC2)C1 1749745744 GHFZDLIHKIKKHI-QFIPXVFZSA-N 477.656 2.731 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)C1 1749803191 DSMIWRLIHBXPGP-YUXAGFNASA-N 466.586 2.848 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C(N)=O)CCOCC1 1760119476 AKRUZXVXSNPRBX-SFHVURJKSA-N 474.005 2.992 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCN2CCCO[C@H](C)C2)c1 1760125896 NLEQSYMBIKKJRV-OAQYLSRUSA-N 487.608 2.897 30 10 JFEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1760135434 VVVRQKKLTYHQPJ-GOSISDBHSA-N 462.554 2.868 30 10 JFEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760158861 SOZHADYWPMBJQG-UHFFFAOYSA-N 453.587 2.863 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760182472 GDIOKTUOWWPEGA-FXAWDEMLSA-N 480.009 2.705 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1760222778 XZEIXFODIQUPHW-FDDCHVKYSA-N 459.616 2.681 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCCN1CCOCC1 1760245452 DZFRPWRZWOMRQQ-UHFFFAOYSA-N 480.382 2.655 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCS(=O)(=O)C1 1760253879 YGYLFCPUAIBLFH-OAHLLOKOSA-N 487.409 2.685 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCOc2cccc(C(F)(F)F)n2)CC1 1760266389 XIRVVTLFPIBBQW-UHFFFAOYSA-N 464.492 2.860 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCOC2CCOCC2)CC1 1760266732 KOVLFPJIHMAUNN-UHFFFAOYSA-N 481.597 2.505 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760299703 FAWKGDIQJUYTFD-AWEZNQCLSA-N 495.426 2.680 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCOCC1 1760330843 NXPDTYLBGBXQHT-UHFFFAOYSA-N 477.631 2.529 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(SCC)c2)CC1 1760396984 MEZUUTFGLVVZDI-OAHLLOKOSA-N 450.634 2.846 30 10 JFEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1760431038 CCHRGAHTVVPGGT-UHFFFAOYSA-N 466.007 2.841 30 10 JFEE C=CCCOCCn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1[C@@]1(OCC)CCOC1 1760453500 YDQDYXBWJPHWNX-OAQYLSRUSA-N 482.507 2.894 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1760550363 XCZPXCSHTQRPMQ-LEWJYISDSA-N 460.600 2.914 30 10 JFEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1760839759 AIYMGLUDWIMIMW-RUZDIDTESA-N 481.670 2.995 30 10 JFEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1762660785 BMICECCYYSFICV-UHFFFAOYSA-N 466.586 2.798 30 10 JFEE C[C@H]1CC[C@@H](C)N1CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1762790436 FXSCCDDXXVXUQX-BGYRXZFFSA-N 451.619 2.582 30 10 JFEE C[C@H]1CCCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1762867200 CRJVIFYEYHTPQQ-NRFANRHFSA-N 451.619 2.850 30 10 JFEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1OC 1766280072 HCMFJKLEOBZTJI-VXKWHMMOSA-N 498.628 2.828 30 10 JFEE Cn1cccc1-c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)C(C)(C)C 1767497196 GNJVRJAJRCDFLK-OAQYLSRUSA-N 482.610 2.946 30 10 JFEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCCCC2)cc1 1768744499 HSTQSCNLGKMKQH-OAQYLSRUSA-N 454.575 2.859 30 10 JFEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1)S(C)(=O)=O 1768788744 CLSWDMJORSJUSL-KRWDZBQOSA-N 478.569 2.970 30 10 JFEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(N(C)C)nc1 1769845088 GTYORVCZSMZGDO-OAQYLSRUSA-N 463.542 2.666 30 10 JFEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2scnc2C)CC1 1771149359 CLZRIERVZDJBLJ-UHFFFAOYSA-N 467.599 2.505 30 10 JFEE CN1C(=O)COc2ccc(-c3nn(-c4ccc(F)c(Cl)c4)cc3/C=N\NC(N)=S)cc21 1857807091 UELNJQJHJRBNLV-GYRAYZOKSA-N 458.906 2.854 30 10 JFEE CN([C@H](C#N)c1cccc(Br)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1857960178 FYXDZHIHVSASNZ-QGZVFWFLSA-N 462.325 2.572 30 10 JFEE COc1ccc(-c2cc(O)nc(N3CCN(CC(=O)[C@@H](C#N)c4nc5ccccc5n4C)CC3)n2)cc1 1859428357 WPJWPJKKNGMARE-HXUWFJFHSA-N 497.559 2.743 30 10 JFEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861166251 LAPLEFQBTWIXIE-VWLOTQADSA-N 481.568 2.993 30 10 JFEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Br)cc1 1862471433 MFDYPJAGDSMLSV-SFHVURJKSA-N 460.280 2.791 30 10 JFEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)ccc1F 1862503057 ONXNLLKMISXNGQ-QFIPXVFZSA-N 470.497 2.846 30 10 JFEE COCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1 1862762814 SFQJKMZKLURTOL-LJQANCHMSA-N 472.450 2.845 30 10 JFEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C)nn2Cc1ccccc1 1864318514 ZKFFECHQSDLTIC-GAJHUEQPSA-N 474.561 2.996 30 10 JFEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004584 FDDWLCNKCBBLCQ-AWEZNQCLSA-N 480.934 2.630 30 10 JFEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1C[C@@H](C)O 1870324623 SHMOCZHHCZZASF-QGZVFWFLSA-N 482.606 2.842 30 10 JFEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870563663 KNFOJNVPKSCUIR-SANMLTNESA-N 498.631 2.810 30 10 JFEE C=CCn1nc(C(=O)N2CCN(c3ccccc3OC)CC2)c(I)c1C 1871337458 YNMWRYJJCFNZPF-UHFFFAOYSA-N 466.323 2.953 30 10 JFEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874208926 RXZDCJNIRFAKPP-ANRKENSESA-N 451.552 2.769 30 10 JFEE COc1ccc(/C=N/n2c(CCc3ccc(OC)c(OC)c3)nnc2SCCO)cc1O 1874221099 UJPPMYGTGDWCME-OEAKJJBVSA-N 458.540 2.761 30 10 JFEE COC(=O)c1ccc(/C=N/n2c(COc3c(C)cccc3C)nnc2SCC(N)=O)cc1 1874299555 HNMNQQNJMJFXAJ-BHGWPJFGSA-N 453.524 2.720 30 10 JFEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 1874350574 SVGPXRJOYHYFEH-AUEPDCJTSA-N 461.931 2.705 30 10 JFEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3F)n2N)nc1C 1874546163 KGSYYYILDCLVNT-UHFFFAOYSA-N 462.532 2.560 30 10 JFEE O=C1O[C@H](CNS(=O)(=O)c2c(F)cccc2F)CN1c1c(F)c(F)c(F)c(F)c1F 1891500186 TZCFUBIGKSRZJO-ZCFIWIBFSA-N 458.311 2.964 30 10 JFEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2133603114 IOZYNGMBPNWSIS-MAUKXSAKSA-N 450.360 2.896 30 10 JFEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983312 OOHFRTGHLLMZGN-RBUKOAKNSA-N 460.380 2.831 30 10 JFEE CN(C(=O)C[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2187959648 XOQRVIVTUKDQLW-APWZRJJASA-N 460.380 2.878 30 10 JFEE CN(C(=O)C[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2187959651 XOQRVIVTUKDQLW-VQIMIIECSA-N 460.380 2.878 30 10 JFEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CCC2)B1OC(C)(C)C(C)(C)O1 2255796479 RDOYCGDESILSMC-INIZCTEOSA-N 456.414 2.883 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843379 GKIMIZFZCFJAPZ-UONOGXRCSA-N 451.398 2.866 30 10 JFEE C[C@H](NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256614497 NWCOHCZPGMIDAK-ZFWWWQNUSA-N 454.398 2.500 30 10 JFEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256627063 RDQMAYYAXHCBSW-OAHLLOKOSA-N 454.398 2.593 30 10 JFEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2266997606 CSRQXFHSOZIPIJ-UXHICEINSA-N 484.358 2.701 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2267118152 INLMYJNBNOWMRU-XUWVNRHRSA-N 452.357 2.828 30 10 JFEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2267356344 LRSITZFUPTVFDG-UHFFFAOYSA-N 459.373 2.658 30 10 JFEE CC(C)(C)OC(=O)NCC1(F)CC(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267537593 BVPNFZVEWAGSQQ-UHFFFAOYSA-N 469.388 2.815 30 10 JFEE CC(C)(C)OC(=O)NC1CCS(=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2267556240 CSZYVJYRCCBYSL-UHFFFAOYSA-N 468.381 2.874 30 10 JFEE CO[C@H](C)[C@@H](CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2268631845 DCOAEVWLDHHQKL-GDBMZVCRSA-N 468.425 2.982 30 10 JFEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268645646 VDPZBTYWUXLLJP-OAHLLOKOSA-N 452.332 2.729 30 10 JFEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2268668069 ARAHRLVBPYPJBG-HNNXBMFYSA-N 468.425 2.820 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]2C1 2268718840 VBPRPLLXVIRTFH-RCDICMHDSA-N 463.409 2.706 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)[C@@H]2C[C@H]21 2281824119 TWRDYEZMXARXAM-QZTJIDSGSA-N 457.380 2.956 30 10 JFEE COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2281946704 QGFFDOLREGVMDR-MOPGFXCFSA-N 458.364 2.828 30 10 JFEE C[C@@H]1CN(Cc2ccccc2)C[C@@]1(C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281974352 WZWVQIUHIWXZQI-IQGLISFBSA-N 452.408 2.607 30 10 JFEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2281981758 IXMBEJDZNKMKCF-MUJYYYPQSA-N 460.384 2.711 30 10 JFEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 2281995552 DVPRROQVUBDBPU-UYAOXDASSA-N 452.408 2.985 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282026579 FAMUNBXJAFGOQZ-DOTOQJQBSA-N 460.384 2.589 30 10 JFEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2282130907 DXYKPGUGJBZOSD-DZGCQCFKSA-N 454.298 2.823 30 10 JFEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282150185 QWZVTFIYZTZYQC-GXTWGEPZSA-N 458.261 2.654 30 10 JFEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C 2282308352 QFXRWIKNQBKPAG-DGCLKSJQSA-N 496.382 2.576 30 10 JFEE Cc1cc(S(=O)(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282327658 LQNFQBNOJRJUCR-QWHCGFSZSA-N 496.382 2.576 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2282518551 GNWVADIPAWQCFY-IRXDYDNUSA-N 457.380 2.710 30 10 JFEE 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1359030029 MMURCFAUDHCPSX-SFHVURJKSA-N 482.585 2.804 30 10 JFEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1C 1359132571 ALZXQUQKKAJAOE-FPOVZHCZSA-N 477.631 2.710 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359151673 YLCHFLUMRZMRIK-OAGGEKHMSA-N 492.042 2.597 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1359187497 OULORTRRXFAWRX-UHFFFAOYSA-N 472.615 2.665 30 10 JFEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1)c1ccccc1 1359193853 KPHNCCYRGNPNHD-CTNGQTDRSA-N 460.648 2.779 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1359202741 AZWFXUVUFTYCJV-NHCUHLMSSA-N 493.605 2.684 30 10 JFEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359227397 AEEPHPCKGFNNGE-RDGATRHJSA-N 480.657 2.759 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCCC1 1359233835 SPCIXRSTMMTUJS-IBGZPJMESA-N 460.648 2.940 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1359297668 XYNVQORPAWUBAJ-UHFFFAOYSA-N 450.387 2.907 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(c2ncccc2F)CC1 1359328909 RMGRNFUIMBDSBI-UHFFFAOYSA-N 474.562 2.698 30 10 JFEE CC(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359939940 AUJFUVQZHADOSY-SFHVURJKSA-N 460.579 2.564 30 10 JFEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1360784498 GEIJBWFPBCIOBP-FOIQADDNSA-N 463.464 2.744 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)s1 1447628293 RLXCBNYRKUONTR-UHFFFAOYSA-N 458.569 2.690 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@H](O)c2cccc(Br)c2)c1 1463875191 GEFFPTLMYZBIRV-SFHVURJKSA-N 453.358 2.719 30 10 JFEE CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1465939872 DQETWFKFJQYGDP-KRWDZBQOSA-N 456.572 2.525 30 10 JFEE C#CC[C@H]1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)C1 1470488083 GOWWYZXQQGHVSP-YOEHRIQHSA-N 459.431 2.721 30 10 JFEE C#CCOc1ccccc1NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1475845424 VTBVVFZZNVWVSI-UHFFFAOYSA-N 459.524 2.762 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CCC2)cc1C 1492234520 DYFWFUIAWVQLOF-OAHLLOKOSA-N 458.588 2.710 30 10 JFEE COc1ccc(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1OC 1504143885 AHJDTDKSALQFNV-IRXDYDNUSA-N 475.615 2.914 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCN2CCOC[C@H]2C)c1 1507550679 OUDAZRWGFVNMQK-LJQANCHMSA-N 450.587 2.713 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1507557602 MMTZRSOPPHXVIM-LJQANCHMSA-N 453.572 2.585 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507626976 HSUAOMNJPFEGOX-JOCHJYFZSA-N 485.654 2.702 30 10 JFEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1507632141 XPTRVAOWTLULBB-OAQYLSRUSA-N 450.568 2.724 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccnc1-n1cccn1 1507643025 FUMKBZNIBLUBIK-UHFFFAOYSA-N 461.327 2.738 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN1CCOCC1 1507661729 GEUWEPOOTUSWHK-UHFFFAOYSA-N 459.392 2.611 30 10 JFEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCCC 1507686728 GPUHNXLJMKWBRS-UHFFFAOYSA-N 457.538 2.884 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507711176 PKZCIMVBNZGPTK-URXFXBBRSA-N 467.614 2.527 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(OC)nc2)CC1 1507719062 XTHUCPWZGWWBKC-UHFFFAOYSA-N 467.371 2.915 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2nncn2C)CC1 1507734898 CHNHNPDWDRDKHN-UHFFFAOYSA-N 490.612 2.513 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(OC)nc2)CC1 1507742608 MEUQTSHSXNIABN-UHFFFAOYSA-N 458.566 2.595 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507743706 BFSOTEJNIZJLDL-UHFFFAOYSA-N 491.394 2.658 30 10 JFEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1507753423 NDJBACJCWZOXBZ-JOCHJYFZSA-N 466.655 2.868 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1507820537 GRMNKAKUIZSCRR-GOSISDBHSA-N 458.563 2.956 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1507830604 LAUBWLXLIDSFMO-LJQANCHMSA-N 476.622 2.904 30 10 JFEE C=C(C)Cn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507836586 QZCSMJYIBBNYFT-DEOSSOPVSA-N 455.559 2.563 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507840777 PHQORUBMRKEUHY-OAQYLSRUSA-N 474.569 2.807 30 10 JFEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)[C@H]1CC 1507847522 IIUNTGRZNMPPDU-GOSISDBHSA-N 478.391 2.927 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1508017622 TYPMAEQOIQMNEA-JOCHJYFZSA-N 450.587 2.665 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 1508048841 RHEULNNWNPQREL-INIZCTEOSA-N 457.604 2.828 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508076397 SMQSEGCXSLXXBH-FXAWDEMLSA-N 481.557 2.606 30 10 JFEE CC[C@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1513173126 FKAZOVQDRSPOHI-IBGZPJMESA-N 458.570 2.843 30 10 JFEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1514831185 HPXYTDHDTHBKFC-UHFFFAOYSA-N 453.591 2.519 30 10 JFEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC1 1518662798 CDXJXCVASRWSAC-UHFFFAOYSA-N 480.594 2.764 30 10 JFEE C#CCNC(=O)c1ccccc1NC(=O)c1cnn(C(C)(C)C)c1I 1529043089 ZAYFDXLZRUVZFU-UHFFFAOYSA-N 450.280 2.858 30 10 JFEE N#Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1 1537420640 BFDDPIQNWFTHHD-NSHDSACASA-N 455.359 2.817 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2CCOCC2)c1 1539046033 LBLHOQYJCOBFLN-UHFFFAOYSA-N 461.570 2.623 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(CC)ns2)CC1 1539078928 IVEYDYZVSLEDRG-UHFFFAOYSA-N 484.655 2.814 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1539225263 MJAPTJIFEXZXRS-RTBURBONSA-N 463.554 2.716 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1539225828 QGAWDTLAPGOYCR-OAQYLSRUSA-N 482.606 2.957 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1539226310 XIBKGGRFZZOIMP-LJQANCHMSA-N 485.997 2.601 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1CCN(CC)CC1 1539251996 VHNTYPDLYQLHQM-UHFFFAOYSA-N 455.610 2.984 30 10 JFEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 1539274127 DEJUOBIOXQGZEE-GPMSIDNRSA-N 454.324 2.973 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(=O)N(C)C)cc1 1539333339 AQJHMEOMDLZJGI-UHFFFAOYSA-N 489.605 2.874 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccs1 1539385412 ZITYUYHSLIVFDD-UHFFFAOYSA-N 468.558 2.687 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2cc(Br)cn2)CC1 1539434209 CWSZKXIDNWVGSF-UHFFFAOYSA-N 484.402 2.758 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](F)COC)CC1 1539470709 WOIDQHHAZFJHAS-SFHVURJKSA-N 492.393 2.966 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(Cl)cc2OC)CC1 1539481355 LQIRSMBDXBZBKY-LJQANCHMSA-N 471.989 2.848 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OCCOC)C1 1539497526 KMKMVPCYPMANJX-MRXNPFEDSA-N 468.421 2.654 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539630313 ZOGYTKMEXLGAEF-XUZZJYLKSA-N 481.645 2.620 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](COC)C1 1539751369 LYXCVNOLPPHTBY-PMACEKPBSA-N 479.622 2.837 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539820539 HGLXKRQSCCBICG-UHFFFAOYSA-N 493.395 2.534 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1540136350 GVJMUQSRWHIWSZ-HXUWFJFHSA-N 465.595 2.989 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1540147502 RPUPEDFJJHGQPM-GUNSETOZSA-N 468.670 2.736 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](CCC)OC)C1 1540889986 XTWZADFUPSGNOK-MSOLQXFVSA-N 452.559 2.788 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C(=O)NCC)C1 1540897013 YKOCHZGMSJNMGT-CEXWTWQISA-N 490.649 2.992 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540899545 RRHAHMLVKXAMRY-FQEVSTJZSA-N 487.670 2.798 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1540900994 PIFLDZGXBGNCCN-UHFFFAOYSA-N 489.642 2.638 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1540908466 WQSGYGLNYHXKPK-UHFFFAOYSA-N 471.631 2.918 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1540919895 ICPQSOKKDXYTRA-UHFFFAOYSA-N 474.656 2.734 30 10 JFEE C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1541836216 BTVXKVPATCXBAT-IAGOWNOFSA-N 497.554 2.873 30 10 JFEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cnn1C 1542117862 BGMYRJIAKGRZCA-LIRRHRJNSA-N 475.475 2.975 30 10 JFEE CCc1nc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)CCOC)CC2)cs1 1546387557 BWPRVZXTVSQABD-RUZDIDTESA-N 495.653 2.945 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450.539 2.937 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 1632527684 DWOFYVIISZAZPE-LEWJYISDSA-N 454.571 2.733 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 1638451631 BEPNVFLGMHSPTK-LJQANCHMSA-N 452.454 2.831 30 10 JFEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C1CCOCC1 1645985773 FINCMWCBGDIPRI-WOJBJXKFSA-N 458.559 2.900 30 10 JFEE Cc1ccc([C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)S(C)(=O)=O)cc1 1668264886 GIMSQEIDXFANQJ-HTAPYJJXSA-N 455.584 2.704 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 1681433597 HYZRMTPOGVZXNF-AEFFLSMTSA-N 458.950 2.802 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1689851146 MKZGYTIXYRDLAR-STQMWFEESA-N 457.419 2.705 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1689926426 PNRGSPLBPSBAJX-UHFFFAOYSA-N 461.570 2.754 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(=O)N(C)CC)CC1 1690117846 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C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286493526 WASZPUYDDFLOBF-AZUAARDMSA-N 469.561 2.513 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1286493819 QCQPYXIRCIMEEM-SFHVURJKSA-N 461.488 2.815 30 10 JFEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1286505131 VOKJTESNCHDDOR-NHCUHLMSSA-N 452.628 2.696 30 10 JFEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286539400 ZQFJARJIVMTUAK-OAHLLOKOSA-N 493.406 2.903 30 10 JFEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCCOC)cc2)CC1 1286646043 LUMXDMORDYCLRX-HXUWFJFHSA-N 460.600 2.800 30 10 JFEE C=CCCOCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286714497 QKANTOBDSUDOIS-REWPJTCUSA-N 458.651 2.592 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286779242 HDWFPPZXAAJBGR-SJLPKXTDSA-N 472.977 2.575 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1286781440 RFRXWQUECYMJAO-KRWDZBQOSA-N 456.566 2.766 30 10 JFEE 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C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCN(CC)C2)CC1 1300689525 XIWJSIIEOQLYCM-QGZVFWFLSA-N 475.410 2.944 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1300721930 DLJDSQRPSQYHKE-HXUWFJFHSA-N 458.607 2.672 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)[C@@H](C)CC)CC1 1300731039 LAQIFHVXSPMLFZ-BVZFJXPGSA-N 471.577 2.759 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCN(C)C(=O)C1 1300895777 BGHOCVSTKVVIDP-WZONZLPQSA-N 455.559 2.515 30 10 JFEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1300984595 FUKVYCVMAXBCNO-INIZCTEOSA-N 452.481 2.696 30 10 JFEE C=CC[C@@H](Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301167499 AEJWQIOCDWZLEP-STWLZBDKSA-N 453.587 2.992 30 10 JFEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301218130 KWWKYHYELHVLNA-QFIPXVFZSA-N 453.635 2.846 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301246412 UBMWSJKRDQNKQO-GHTZIAJQSA-N 488.036 2.575 30 10 JFEE 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XSLFMULLKYJHBS-AWEZNQCLSA-N 486.440 2.651 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1539669829 VHINCTYDBVODFP-KRWDZBQOSA-N 467.636 2.982 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539729921 UHCSCOUGAADZLZ-FQEVSTJZSA-N 499.641 2.516 30 10 JFEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1539757984 GCNKWJKUJORWKP-UHFFFAOYSA-N 467.614 2.876 30 10 JFEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1539804210 SKHXGHCEJAEGQQ-QGZVFWFLSA-N 483.013 2.644 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1539832235 RRYNHIAKDQZHLU-RTBURBONSA-N 456.595 2.659 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539874075 ARJFZZUCYKAZPE-GYCJOSAFSA-N 458.559 2.913 30 10 JFEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1539967430 QVOKQPTXLGWLSV-QGZVFWFLSA-N 465.023 2.912 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1540152179 QQHSIXZLYCIDHJ-UHFFFAOYSA-N 464.614 2.698 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540854028 AFVWHCKRGUJUMO-MRXNPFEDSA-N 475.619 2.836 30 10 JFEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1540854302 XWMKBIPXAWRHJU-LEWJYISDSA-N 472.609 2.974 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CCC)C1 1540890101 ZMZQFAROHMHQQG-XDHUDOTRSA-N 452.559 2.524 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1540902491 KYOLEFASTBCDQX-LEWJYISDSA-N 482.647 2.675 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)C1CCC2(CC1)OCCO2 1540905225 VBXAFPBJTWEPJV-UHFFFAOYSA-N 466.629 2.653 30 10 JFEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1541063965 CIWSAWFFFGZJEC-WOJBJXKFSA-N 479.629 2.669 30 10 JFEE Cc1nn(C)cc1C(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548393480 UCSZQIBZMDCLNG-VQTJNVASSA-N 488.514 2.709 30 10 JFEE CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1554165039 GQZKBPLSVLIQAR-UHFFFAOYSA-N 475.582 2.539 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(Br)c(F)cc3C2)cc1 1558633911 NFTDXTOYNJIDKR-UHFFFAOYSA-N 451.317 2.698 30 10 JFEE C=CCCC[C@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C(=O)OC 1561929089 FSYXMOMXMKZHKR-LFPIHBKWSA-N 453.380 2.638 30 10 JFEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)CC1 1563659729 MFQNTDXVQPSTIR-HSZRJFAPSA-N 454.596 2.545 30 10 JFEE C=C(C)CN1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)CC1 1585278847 IYNFPDOOLVVUAZ-UHFFFAOYSA-N 459.568 2.972 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCN(CC)S(C)(=O)=O 1587580773 RWRWUSCHGOUYEP-OAHLLOKOSA-N 498.447 2.846 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1587633738 YMVQSGYXLHXADN-QZTJIDSGSA-N 456.595 2.612 30 10 JFEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1587769050 ALAZODHONGEXED-UHFFFAOYSA-N 472.540 2.525 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1588069572 QPJYGXFXJYJXJP-MRXNPFEDSA-N 466.604 2.765 30 10 JFEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588069863 UJTGHLPAEUZBIB-JOCHJYFZSA-N 481.622 2.928 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1588619669 AWBRQJILJANIDO-UHFFFAOYSA-N 453.856 2.880 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)CC=C)CC1 1588780882 YDRIROKEZNINBJ-UHFFFAOYSA-N 468.410 2.608 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)c2ccsc2)CC1 1588837574 YPLFGRMVWCBZDS-HSZRJFAPSA-N 457.550 2.872 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1588930080 NCWZKSVCABLGMZ-BHDDXSALSA-N 457.619 2.589 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(OC)CCC(C)CC2)CC1 1588969221 YAOVXSQAXZLJEX-OGTWAPGSSA-N 487.645 2.563 30 10 JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1589048060 STNPBHAHTYAROP-UHFFFAOYSA-N 481.601 2.550 30 10 JFEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1593600659 ZALYWSCFGYQSFC-QGZVFWFLSA-N 451.535 2.600 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1594193977 UGFFESXGXZAMFO-XXBNENTESA-N 465.664 2.612 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1595329958 DPLXLORWTIWXQP-UHFFFAOYSA-N 454.531 2.776 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)S[C@@H](C)C1 1595765734 FZRLQXFGSYWSNG-STQMWFEESA-N 474.450 2.967 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)c1C 1611828487 HVGROHQEPLIBOH-OALUTQOASA-N 464.526 2.787 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2(N3CCOCC3)CCCCC2)n1 1612479011 FUWBOUCXGCOQDV-IBGZPJMESA-N 454.623 2.771 30 10 JFEE CCN(C)C(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1615134181 FYAIGBKMEMSWLA-UHFFFAOYSA-N 488.596 2.546 30 10 JFEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1616707410 GZLRCPYMEGDJRV-ROUUACIJSA-N 458.584 2.931 30 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30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSCc2ccccc2F)CC1 1690113712 RMLXXTIMDNRMOI-XMMPIXPASA-N 473.618 2.758 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1690155950 QKKPMTSYCIUCGZ-MOPGFXCFSA-N 454.600 2.935 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1OC 1690175206 ROZHESGRMHIGED-HKUYNNGSSA-N 460.625 2.897 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690236954 UERWRFYGFHECEC-PXNSSMCTSA-N 474.009 2.773 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnccn1 1690239280 UNFKPAXYBNZWNW-SIKLNZKXSA-N 497.625 2.603 30 10 JFEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 1690442395 ROCHMSMVVBIKCA-FYYLOGMGSA-N 466.630 2.935 30 10 JFEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690454087 UCRJAPROVLHHEH-JOCHJYFZSA-N 486.686 2.921 30 10 JFEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1690496926 CBZJVQQPWJRHJU-UHFFFAOYSA-N 472.565 2.501 30 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2.701 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705561729 WCWJBJZFJXBPBI-CEXWTWQISA-N 460.600 2.894 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1705567971 DSAOMFSMRIBXPH-KRWDZBQOSA-N 466.604 2.765 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1705570424 NDWKTPQOAIDRNY-QGZVFWFLSA-N 480.581 2.837 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCC1CCN(CC(F)(F)F)CC1 1705628960 UBNYEWNPDUSGMS-IBGZPJMESA-N 457.541 2.923 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(=O)(=O)CC 1705694490 BPAPFNNYAMFPBA-WMZOPIPTSA-N 453.996 2.846 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1csc(CC)n1 1705698405 TYFLYFFYNDOVBQ-MPGHIAIKSA-N 468.649 2.525 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CCC1 1705714218 JQPDTWBTOFOQBS-HKBQPEDESA-N 464.661 2.942 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705819308 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1722679776 LPNGAYBQGPVDNH-WOJBJXKFSA-N 451.637 2.779 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCN(C(C)C)CC1 1722693887 DHCTYGGPTQFIBL-UHFFFAOYSA-N 461.408 2.930 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722695929 VGYXXLYEFIDYEI-HXUWFJFHSA-N 485.976 2.704 30 10 JFEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1722701975 IJTLZULPFZIJOO-OAHLLOKOSA-N 487.402 2.589 30 10 JFEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722734328 CXLHTPJOICVEBD-UHFFFAOYSA-N 471.627 2.948 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1cnn(CC)c1 1727230361 HZENJGSUXINULL-JOCHJYFZSA-N 476.585 2.911 30 10 JFEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1728585628 DXDOWXABCRWMFY-QHCPKHFHSA-N 499.685 2.941 30 10 JFEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2c[nH]nc2C)cc1OC 1728857365 FIWTWELQLSGHFW-LJQANCHMSA-N 451.531 2.746 30 10 JFEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1730401751 HGJJUNOMWXQYRA-WYZYGFAWSA-N 466.586 2.752 30 10 JFEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1)OC 1730462494 CZKUAYAXKSXTNR-IBGZPJMESA-N 483.960 2.969 30 10 JFEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1730581078 HZEDBZHUKXMZLE-KRWDZBQOSA-N 452.481 2.696 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1740546710 JPFDEEPSHSKRLG-KRWDZBQOSA-N 463.586 2.856 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1740580689 GFBYTDQUXAKFHC-GOSISDBHSA-N 451.575 2.718 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1740694012 VKHJYKJREIIFPX-NHCUHLMSSA-N 466.630 2.597 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1740695471 SDYOHCZILDHKSI-XMMPIXPASA-N 450.974 2.965 30 10 JFEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740714433 YKFLYTPMRRVEAQ-UHFFFAOYSA-N 484.651 2.625 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1740799463 MQXNCEBIFLSWDT-PWRODBHTSA-N 458.607 2.891 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740849441 JNKQZEVCSTXPFF-UHFFFAOYSA-N 457.604 2.757 30 10 JFEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740857932 YTRZDUXKWSDDJY-SFHVURJKSA-N 477.573 2.679 30 10 JFEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1740875166 UCLNGTPHSUWGPS-UHFFFAOYSA-N 465.602 2.971 30 10 JFEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740876749 LYZCSVJLOHTVJP-NBGIEHNGSA-N 490.649 2.854 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740887226 ADZJUVJXBUITHU-MRXNPFEDSA-N 465.396 2.981 30 10 JFEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740888367 MCVMHZGCTHKJCR-RTWAWAEBSA-N 450.543 2.569 30 10 JFEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740945302 WUIAIQVHGWHCHF-UHFFFAOYSA-N 484.601 2.893 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740951784 NSTZGUMACILSBS-LEWJYISDSA-N 480.613 2.928 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 1740979619 AZVTXVBVWMSNMJ-LJQANCHMSA-N 474.600 2.954 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1740984044 VFEOTBCPGLRQHY-LEWJYISDSA-N 460.648 2.772 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCc2oncc2C1 1740989412 MGIRRFDZBSVTRX-UHFFFAOYSA-N 478.372 2.859 30 10 JFEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1741310619 BMHWWAIOEKNDLP-MOPGFXCFSA-N 467.574 2.678 30 10 JFEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2nccs2)CC1 1748352903 FINQZKQSBZQRKW-MRXNPFEDSA-N 467.555 2.877 30 10 JFEE CO[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)(C)C 1748445046 DCOUOHYUVUPGCI-RXVVDRJESA-N 475.601 2.702 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2n[nH]c(C)n2)cc1Br 1748630065 CSTREGGQYBQTAF-LJQANCHMSA-N 475.326 2.827 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1748732281 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C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1749368754 PGINRFDBMCPPND-GOSISDBHSA-N 483.038 2.898 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749452176 QJMZZKAUOVBBHD-OAHLLOKOSA-N 461.364 2.514 30 10 JFEE C=CCCOCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749461013 MBJSATYAJAQCRX-KDURUIRLSA-N 476.622 2.604 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1749531524 JDLNAMNGTCRQDF-QTYPKTMWSA-N 487.651 2.546 30 10 JFEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1749533280 FYQFHUPUHCJPMD-GOSISDBHSA-N 466.567 2.693 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749657740 CKODXTMTBMLFGB-UHFFFAOYSA-N 494.353 2.545 30 10 JFEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749745432 ZMQXVBNARBUKAZ-INIZCTEOSA-N 488.589 2.997 30 10 JFEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCC(O)CC2)CC1 1750384576 FXCDUIBXCUYOFA-UHFFFAOYSA-N 462.396 2.622 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760099812 MABSRSYMYSEIQD-YEEURNOCSA-N 481.641 2.782 30 10 JFEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760158304 LPAWWJHOMFYREK-QHCPKHFHSA-N 464.614 2.630 30 10 JFEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1760206836 OHCDUUGVRVJHCC-FQEVSTJZSA-N 451.575 2.612 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC(F)(F)C1 1760249168 IQSKGHAOKUZKJK-GOSISDBHSA-N 459.545 2.974 30 10 JFEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(OC)c(Br)c2)CC1 1760263655 KCOOQDGGZDTNEQ-UHFFFAOYSA-N 462.392 2.584 30 10 JFEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1760281915 ZTPJHPXBMDEDIO-UHFFFAOYSA-N 452.628 2.899 30 10 JFEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ncccn2)CC1 1760283449 NAZDXAJPHLXHDQ-UHFFFAOYSA-N 463.611 2.555 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760287534 WEONKYSNOZSTEU-HBFSDRIKSA-N 460.604 2.519 30 10 JFEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760308924 WPFPPCFKXFZTCF-WBMJQRKESA-N 452.303 2.771 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760321109 BSHDWMUWFQLWLB-OFNKIYASSA-N 452.603 2.883 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2Cl)CC1 1760432629 LFJWYDCWQFJRAI-MRXNPFEDSA-N 453.012 2.835 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2ccnn2)CC1 1760518133 JSVVZFIMHIXJCJ-UHFFFAOYSA-N 458.929 2.548 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 1760530549 UVQWNZQHTJICBJ-FUHWJXTLSA-N 486.516 2.561 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1760537769 PZKBHTWCOHPASU-GLDPYIMESA-N 479.622 2.967 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCN(C)C(C)(C)C2)C1 1760541267 YKKXGBAYRRRFSI-FQEVSTJZSA-N 454.619 2.761 30 10 JFEE CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1764065105 DENXQFJRTZYQEM-JOCHJYFZSA-N 471.650 2.668 30 10 JFEE 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CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1295173604 FKSOSRYFIACAEZ-HXUWFJFHSA-N 456.616 2.705 30 10 JFEE CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1295418237 CXUPEIRISKSGRV-CVDCTZTESA-N 471.631 2.600 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCCC1=O 1300284940 VZZPETCZGCKWLW-GOSISDBHSA-N 457.600 2.599 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1300309427 HEUBONLRRSKGCW-RXVVDRJESA-N 496.612 2.795 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CS(C)(=O)=O)CC1 1300323045 WDFMAMIYNHEDAX-OAHLLOKOSA-N 481.416 2.902 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC(CN2CCOCC2)CC1 1300423033 FXQRPPHYJUMLBK-UHFFFAOYSA-N 453.587 2.828 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(CC(F)(F)F)CC1 1300460537 XEERWYHHCDRCTL-UHFFFAOYSA-N 483.564 2.582 30 10 JFEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300473049 NKEBMISISLJLQO-JAXLGGSGSA-N 492.580 2.823 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(c2ccccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 1300479568 PKLRGCGICXCMAG-OAQYLSRUSA-N 497.665 2.863 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300483179 IMNCJUKROHDOJS-OAQYLSRUSA-N 474.602 2.916 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1300496690 UATWECUBWAOVKM-FQEVSTJZSA-N 457.600 2.795 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300501663 MSTJYHWLPWVDEX-YADHBBJMSA-N 456.612 2.649 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS1 1300579189 SGJQJBSMYQNKBV-MOPGFXCFSA-N 459.616 2.945 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCNC(=O)c2cccs2)CC1 1300685870 TZIWQKOYXXDULR-UHFFFAOYSA-N 499.438 2.954 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1300703633 NHSSBUGAKNVVRT-UHFFFAOYSA-N 468.508 2.677 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1300725768 DETHTCWSXJIKQF-QPPBQGQZSA-N 465.573 2.955 30 10 JFEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300848325 DHNXLOMRAWHNAZ-PBHICJAKSA-N 483.388 2.713 30 10 JFEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1300936834 NCFWTXRCLSVUHN-UHFFFAOYSA-N 457.600 2.906 30 10 JFEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1301189060 QQJWVBNDSSPADS-QFIPXVFZSA-N 485.654 2.736 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1301401525 AAVDNAFOTRYSBQ-GOSISDBHSA-N 476.622 2.927 30 10 JFEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1301435558 CFNDPMUKENTVDA-UHFFFAOYSA-N 470.375 2.982 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](OCc2ccccc2)C1 1301579195 POOVRTBHWIHGOU-NRFANRHFSA-N 453.568 2.736 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1302591186 ZROMFXANAQDSPM-INIZCTEOSA-N 451.589 2.916 30 10 JFEE CCOC(=O)C(C)(C)n1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 1310406342 CIQFEBURNSLEDT-UHFFFAOYSA-N 452.515 2.936 30 10 JFEE 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30 10 JFEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1286786944 MLNSFYMQDQZYGL-MRXNPFEDSA-N 485.539 2.849 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1 1286792094 MBNCFAJNQWRETB-UHFFFAOYSA-N 451.575 2.827 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1286811251 APZCQNJPDMDTPK-GGAORHGYSA-N 464.570 2.769 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286821796 VJQHXHPZLIHENW-LJQANCHMSA-N 496.033 2.838 30 10 JFEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286902731 CNLNIINRKSZIOI-JSRJAPPDSA-N 484.626 2.525 30 10 JFEE CC(C)NS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1 1288274104 DVNYFSNAZFWBHP-UHFFFAOYSA-N 469.615 2.808 30 10 JFEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(C)C)N1CCOCC1 1295651218 GIYIGDJLOFSYAH-HSZRJFAPSA-N 462.602 2.934 30 10 JFEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cn1 1297272993 HYSZXVSUQFDMGN-NEPJUHHUSA-N 451.346 2.539 30 10 JFEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1297941071 ARVDZDBXKPLRNA-VQTJNVASSA-N 468.558 2.678 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1300365522 YKIXIHRJDFFRCO-UXHICEINSA-N 484.626 2.542 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300501131 HBOFWQZRWOPHAV-NRFANRHFSA-N 481.647 2.991 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300502191 RIJBKGOATIPBPD-HXUWFJFHSA-N 473.599 2.642 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCCCO1 1300538972 WHDPYXLUQCOQNE-WOJBJXKFSA-N 457.575 2.619 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](CC)N1CCCC1 1300560893 JCCMNAFGFRSGDT-NRFANRHFSA-N 453.612 2.686 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1300603706 XNKWBQDRQUINBQ-BVAGGSTKSA-N 467.614 2.852 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC1CCOCC1 1300648237 MFIWYZRYITYCKF-NRFANRHFSA-N 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JFEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)CC3)C2)C1 2284341905 JQURHICKPDHZRM-UHFFFAOYSA-N 461.412 2.718 30 10 JFEE CC(C)(C)OC(=O)N(CCO)C1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2284365241 BLJNFRRTTGTYRS-UHFFFAOYSA-N 465.375 2.718 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2285205722 SAZIXDWLCJABBB-IRXDYDNUSA-N 459.396 2.922 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2289746288 JUNOEMSAZBPJNK-OAHLLOKOSA-N 458.368 2.752 30 10 JFEE CC(=O)N[C@@H]1[C@H](Oc2ccc(C=CC(=O)c3ccccc3)cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@H]1O 2314609728 ZMBUMVSPWHSFDM-ZLOLNMDISA-N 467.518 2.704 30 10 JFEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2326251854 ATOXUVWQCLSIGJ-UHFFFAOYSA-N 470.511 2.666 30 10 JFEE CCCOc1ccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 2328155853 QZGLNQKCUHCSCD-NTUVXCKYSA-N 489.572 2.837 30 10 JFEE COc1ccc(C=CC(=O)[C@H]2CNCC[C@H]2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 2328341842 ZVGPXNVQCYTEHD-RBUKOAKNSA-N 453.495 2.911 30 10 JFEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccccc3)n2N=Cc2cccnc2)CC1=O 2329052559 YRLOLWTXRGRBPC-FQEVSTJZSA-N 477.594 2.688 30 10 JFEE Cc1scc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2343508845 QDQULKCEVJIZOU-XMMPIXPASA-N 456.417 2.723 30 10 JFEE CN[C@@](C#N)(Cn1cnc(I)c1I)[C@H]1CC12CCC2 2345029180 XIBYPEUTKFTCTI-ZANVPECISA-N 482.107 2.764 30 10 JFEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362338095 OTOCYTGMQMZSHE-HSZRJFAPSA-N 464.416 2.779 30 10 JFEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1cc(F)c(B3OC(C)(C)C(C)(C)O3)cc1O)C2 2364877833 PEFSOKSFILRPKY-NPMABZOXSA-N 462.327 2.570 30 10 JFEE Cc1ccnc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2366855310 VIZZIAUEFLTEOI-ULQDDVLXSA-N 457.380 2.817 30 10 JFEE Cc1scc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)c1B1OC(C)(C)C(C)(C)O1 2369538568 SAYWDKYQVRFFEI-MRXNPFEDSA-N 480.436 2.800 30 10 JFEE COC(=O)CN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(OC)cc1 58944003 QRNZXYUPZMQLCY-LWVPEANGSA-N 457.508 2.837 30 10 JFEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccc(Br)cc2)/C1=C(/O)c1ccncc1 102502322 OZQHLRGVFFKULU-GOBJLOIFSA-N 486.366 2.988 30 10 JFEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1cccc(OC(F)(F)F)c1 248218914 HGZOPMRRPWUMLQ-CMCWBKRRSA-N 486.446 2.920 30 10 JFEE C=CCN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)Cc1cccc([N+](=O)[O-])c1 521091791 JIRDSBYAFHMRLO-LJQANCHMSA-N 463.581 2.860 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 616173442 YOPSGSQDJJMIGR-UHFFFAOYSA-N 452.458 2.793 30 10 JFEE C#Cc1cccc(-n2c(=C(C#N)C(=O)c3ccccc3OC)sc(=Cc3ccccn3)c2=O)c1 726580117 VDORYGCPRJFXFW-UHFFFAOYSA-N 463.518 2.670 30 10 JFEE C=CCn1c(-c2ccncc2)nn(CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1=S 728905297 AYWLFNNWTHJJMD-SFHVURJKSA-N 455.632 2.684 30 10 JFEE C=CCC1(O)CN(C(=O)[C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757509308 NRLSRAPYRISYRD-QFIPXVFZSA-N 464.518 2.908 30 10 JFEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1138161582 CMOLAXZIEARBQB-UHFFFAOYSA-N 453.506 2.662 30 10 JFEE C=CCn1cc2ccc(NC(=O)CNS(=O)(=O)c3ccc(Br)s3)cc2n1 1178765338 HYNHPLBIFDERGB-UHFFFAOYSA-N 455.359 2.963 30 10 JFEE C=C(CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)c1ccccc1 1229644329 WYGNFUQLZFVANN-ZCNNSNEGSA-N 456.543 2.924 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1230747310 YKJBMCMZNFRVEO-KRWDZBQOSA-N 458.422 2.935 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286272401 ACFCOCLWVISKRG-UDYZQQPESA-N 473.618 2.891 30 10 JFEE 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@]2(CCOC2)O1 1286305711 OXHZRKXYFDJCFG-RSNROMBLSA-N 459.591 2.845 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccccc1F 1286379845 DJOQTSCSNJJPAZ-IBGZPJMESA-N 470.549 2.989 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286388225 ZEHIAEYJUABZMN-OAQYLSRUSA-N 471.627 2.954 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)N(C)C 1286428492 SUUXEKCTAGLMBT-RTWAWAEBSA-N 496.612 2.945 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1286451853 DICNUPAPJREXOX-WFASDCNBSA-N 460.888 2.916 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286470494 WXPRNCPLPYULBT-UBFVSLLYSA-N 495.668 2.898 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OCCOCC)CC1 1286476033 LUAJAZFWZHIKNM-UHFFFAOYSA-N 460.582 2.867 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCN(CCC)C2)CC1 1286484278 HJIHBGZAZBQUQF-QHCPKHFHSA-N 450.631 2.961 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286504779 PYRXTYIEYLTWEX-SFHVURJKSA-N 472.615 2.745 30 10 JFEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286600448 NHIDTXFKLLDHMO-FPOVZHCZSA-N 461.632 2.883 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286605138 HLBJSBCTEDGXEC-NRFANRHFSA-N 454.619 2.763 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286613372 YTCUZVZXYOQZRR-DVECYGJZSA-N 453.543 2.706 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286634785 XIINNCZIHKLLAW-HXUWFJFHSA-N 472.977 2.993 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286670323 GPDZSNQZDMEFSS-DENIHFKCSA-N 468.650 2.660 30 10 JFEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286703686 FWPAKFRXTXOSDV-WMZHIEFXSA-N 470.593 2.951 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1occc1C 1286742766 PNCLQQGXCOIZSG-KRWDZBQOSA-N 454.556 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CCc2cccs2)CC1 1286817904 ZKFOTTPGSOGXDP-UHFFFAOYSA-N 471.652 2.972 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1287051169 BBEMJRWPMZOEMN-IBGZPJMESA-N 465.558 2.543 30 10 JFEE C#CCN(C(=O)c1cc(N2CCOCC2)ncn1)[C@@H]1CCOc2ccc(Br)cc21 1293513608 LCUWOHVDHHJBCG-GOSISDBHSA-N 457.328 2.675 30 10 JFEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CCN1CCOC 1294065231 AIEKMKOWKQVIBP-XMMPIXPASA-N 495.672 2.865 30 10 JFEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C[C@H]1C 1295982338 DQMMOOSVACWCLS-WOJBJXKFSA-N 451.619 2.846 30 10 JFEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)CC1 1297756055 CQFSWWMUCPGIKT-UHFFFAOYSA-N 460.604 2.683 30 10 JFEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1297776624 BOGULEGLWMARMH-RBBKRZOGSA-N 499.685 2.847 30 10 JFEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1OC 1300365482 XXHWAAKZRWSUEH-RBBKRZOGSA-N 487.626 2.765 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300501660 MSTJYHWLPWVDEX-FCHUYYIVSA-N 456.612 2.649 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300504071 JKXAMLKXGMGKLB-LYHRCORUSA-N 493.029 2.688 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(I)cc1 1300513486 YHMBBGMYNZRXSL-MRXNPFEDSA-N 478.334 2.728 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(CC)cccc12 1300556400 HMHGAJJNGAGGJJ-SFHVURJKSA-N 466.611 2.638 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)C)n1 1300680733 CZRCXMMKERUTCE-NRFANRHFSA-N 499.616 2.645 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccnc(SC)c2)CC1 1300685441 NULLBFMTUFHJQO-UHFFFAOYSA-N 472.416 2.956 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1300688734 KTMYXOZYGZOSKG-LJQANCHMSA-N 468.602 2.870 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1300710592 HZRAYAKVFKRNRB-VQTJNVASSA-N 458.607 2.532 30 10 JFEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300833671 ANGCMZJJQGTSHE-UHFFFAOYSA-N 486.418 2.716 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1300988318 AZDYMQIAZBCOSV-QXAKKESOSA-N 466.629 2.801 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1301422347 HQMBMLHZJWMMDF-UHFFFAOYSA-N 479.585 2.881 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301491930 RNVZFTFSNZGOKR-OPAMFIHVSA-N 490.402 2.784 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCSCC3)CCCC2)C1 1301535288 KKPLCFQFCGJENV-LJQANCHMSA-N 462.664 2.559 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1301575411 GPHYQORNBABYGJ-HXUWFJFHSA-N 473.643 2.867 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1301613466 YTRDVMYSBAKOBR-FHWLQOOXSA-N 469.677 2.547 30 10 JFEE CC(C)(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1302194226 DBQZYOPGDACVHE-UHFFFAOYSA-N 456.616 2.705 30 10 JFEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1302790718 CWOIAKQVWADZRB-ZWCUEREDSA-N 461.563 2.852 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1304730258 BLEINKPMMPRPNF-IEBWSBKVSA-N 495.607 2.748 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCCC1 1305782972 GWWSHFLKPZORNI-UHFFFAOYSA-N 450.591 2.980 30 10 JFEE CN(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1314654752 HJTKSRDMUZTPOD-FXAWDEMLSA-N 453.497 2.574 30 10 JFEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CCCCC2)CCO1 1315006512 FFTZAODZNHIBOB-OAQYLSRUSA-N 466.586 2.755 30 10 JFEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1315531500 HFTKSKWIQUKSDV-NRFANRHFSA-N 473.599 2.963 30 10 JFEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1315770488 FBIZJSDCAVVEIA-KOSHJBKYSA-N 455.559 2.786 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2(N(C)C)CCC2)c1 1358902201 HDTBIYWLNPIZLH-FQEVSTJZSA-N 450.587 2.713 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1358930425 VJRWFYVFTPFYRZ-SJORKVTESA-N 477.656 2.926 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358964521 AMBPFQVZAGTSHT-GGAORHGYSA-N 484.670 2.545 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(NC(N)=O)cc1 1358971013 DUMHNTXNLORVDI-UHFFFAOYSA-N 452.316 2.647 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCN(C)C(=O)OC(C)(C)C 1358973849 HVMXQRAPKZGAAF-UHFFFAOYSA-N 453.543 2.902 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359089504 KFFTVCKDFZTDHA-ZCNNSNEGSA-N 472.634 2.626 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359106004 WHOLXUSIALZDSO-JXQFQVJHSA-N 469.586 2.904 30 10 JFEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCc1ccc(Cl)cc1 1359298459 ABPZOHAXIGBKKU-UHFFFAOYSA-N 456.934 2.640 30 10 JFEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359304103 LNEBMVKPYWSFGX-SZPZYZBQSA-N 496.656 2.793 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1359304659 FHWNIWFAUDOQDP-UHFFFAOYSA-N 482.629 2.869 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)c2ccccc2)CC1 1359332303 UORQNWZSZYHAPR-HXUWFJFHSA-N 473.643 2.878 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359335461 MFZNWJLQFWVXPX-FQEVSTJZSA-N 484.626 2.802 30 10 JFEE C=CCSCCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C 1359346838 XKLHOGXUGCXTTA-UHFFFAOYSA-N 456.660 2.933 30 10 JFEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1)C(F)(F)F 1360632082 HWANLNMDMYNIBT-QRWLVFNGSA-N 466.533 2.758 30 10 JFEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 1475594698 DWXPANLJYVVICZ-UHFFFAOYSA-N 456.421 2.709 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)Cc1ccccc1 1503103650 HGFQNILPSUSGMN-OAQYLSRUSA-N 474.613 2.928 30 10 JFEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H](C)O1 1504711722 GXHOTGAUMXMZOI-XMSQKQJNSA-N 466.586 2.848 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCN(CC)CC1 1507522600 WUVOUJVYSSSARP-IBGZPJMESA-N 472.659 2.775 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(COC)CCC1 1507543937 XREYOGPGLOIKMR-JOCHJYFZSA-N 450.631 2.917 30 10 JFEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507570993 NOYHCBDWHMAXAV-UHFFFAOYSA-N 477.544 2.620 30 10 JFEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507576453 MBKSSADMXGBKFL-NLFFAJNJSA-N 494.640 2.755 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507633161 BYKGATRFAVGBHZ-HXUWFJFHSA-N 456.612 2.940 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccsc1Br 1507670137 YARKDMWBOUHSEI-HNNXBMFYSA-N 467.414 2.515 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2cc(C)cc(C)c2)CC1 1507719767 QEWUTQAIRSMFIU-AREMUKBSSA-N 467.614 2.770 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=C)Br)CC1 1507723895 YNJCFLSJBUAXRK-UHFFFAOYSA-N 496.413 2.900 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCCC2(C)C)CC1 1507742131 BERVHCHEJASTJP-MHZLTWQESA-N 479.625 2.785 30 10 JFEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507746306 OTWKYYYFWPSJHO-ROUUACIJSA-N 489.715 2.832 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1507772164 HYONLGGQTFGAMW-YZZKKUAISA-N 479.647 2.675 30 10 JFEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccn2)CC1 1507846055 XHSHTKJNUIHOKS-UHFFFAOYSA-N 455.513 2.856 30 10 JFEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507959214 KCCKVQIEVBCBBN-KRWDZBQOSA-N 453.996 2.990 30 10 JFEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507962698 WBNLMRAIGIGCRZ-INIZCTEOSA-N 474.562 2.702 30 10 JFEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1507973222 WBEHOIYGYYLEQC-OALUTQOASA-N 460.648 2.938 30 10 JFEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508062527 IJQFKMRIDVFGQQ-HXUWFJFHSA-N 457.575 2.988 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1508079446 VYJYSEHGLLTYFQ-OAHLLOKOSA-N 467.448 2.524 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1508110052 XKSKJMLBDVGMKX-LVXARBLLSA-N 483.613 2.894 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1508158082 DKAZJZZYNPDTQK-GOSISDBHSA-N 457.600 2.759 30 10 JFEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1509711453 CELGJGARXNVBGZ-UHFFFAOYSA-N 489.628 2.529 30 10 JFEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCCC2)CC1 1509760948 COWJQBSHTUPMBF-UHFFFAOYSA-N 492.672 2.728 30 10 JFEE COc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(CC#N)CC2)c(OC)n1 1518264855 DLESXHDALISMTQ-UHFFFAOYSA-N 496.593 2.939 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2COC[C@H]2OC)c1 1527789851 PKQHUVICIKKRNO-AZUAARDMSA-N 450.944 2.865 30 10 JFEE CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccc(OCC#N)c2)ccc1Br 1529258635 BJXOBEBVKMLAKQ-UHFFFAOYSA-N 452.330 2.532 30 10 JFEE C#CC[C@H](COC)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1534147177 YFAIGLAFOSDHHI-WJQTUHTMSA-N 453.383 2.805 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539205717 JPDFPNRTVPEBKJ-GOSISDBHSA-N 486.579 2.569 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539210813 GNSRSHDOIMYBQA-AWEZNQCLSA-N 474.530 2.833 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1539230284 LHPYMZCLRGOETP-VAMGGRTRSA-N 460.575 2.930 30 10 JFEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539289016 KXVCFSJXVMFWDO-PKTZIBPZSA-N 495.649 2.751 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1539290392 HBWATQARBBJHHU-UUOWRZLLSA-N 453.974 2.876 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1539296959 WORLZUVSFGHFQT-ACIOBRDBSA-N 483.638 2.828 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1539385253 XQBKUMFXERUFNX-OAQYLSRUSA-N 489.555 2.963 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1539423366 YUPFOUZXQPTSSJ-CEMLEFRQSA-N 469.634 2.685 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cccnc2OC)CC1 1539430582 JXURULCCVTUTOO-SFHVURJKSA-N 450.518 2.764 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccc(N(C)C)nc2)CC1 1539462739 YHGJNBHAMCBEKT-UHFFFAOYSA-N 459.598 2.684 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539507418 WGCSWXJHNXNZPH-UHFFFAOYSA-N 479.610 2.835 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539512362 BUZYWRAGRHNMMU-FGTMMUONSA-N 491.614 2.873 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCNC(=O)C(C)C 1539635744 IHUNOWHEIXCLIB-CVDCTZTESA-N 465.602 2.706 30 10 JFEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(=O)C(C)C)CC1 1540000056 XXLCDHPHZRAEFG-UHFFFAOYSA-N 473.647 2.899 30 10 JFEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540012163 COWJBPJXLIZQIX-UHFFFAOYSA-N 457.648 2.735 30 10 JFEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1540180234 KPTHHMXUQDAMBV-JOCHJYFZSA-N 487.670 2.526 30 10 JFEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1540857976 YTWILMXGOSBWKJ-AZUAARDMSA-N 490.649 2.946 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540874955 XANUDLVNKDEWDE-NLFFAJNJSA-N 469.586 2.550 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540899659 WVJSWMZJVKRYRK-HOTGVXAUSA-N 480.612 2.550 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCCC2=O)c1 1541798204 DEWMOFZINVUUDP-QGZVFWFLSA-N 458.526 2.839 30 10 JFEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 1544273215 HJNMUVMDUJKVDO-KNQAVFIVSA-N 470.643 2.951 30 10 JFEE Cn1cc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CC[S@](=O)C(C)(C)C)cn1 1554332582 GGFTYDBETCDLHJ-DHUJRADRSA-N 494.669 2.810 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 1561761292 PVMIHYYKGANGBS-AEFFLSMTSA-N 451.589 2.916 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 1585657121 RZOKQCJFMBOGJR-MRXNPFEDSA-N 451.589 2.916 30 10 JFEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1587894180 PMRIZRHNUJZRKS-KRWDZBQOSA-N 480.598 2.524 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588039946 GNUZDJCIRBKETQ-LJQANCHMSA-N 485.997 2.986 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588040534 OASHUQHIYSVDKF-PBYQXAPXSA-N 483.059 2.772 30 10 JFEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1588041139 UYVROLICSNAUAZ-UYAOXDASSA-N 497.621 2.870 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)NCC(F)(F)F 1588186304 VOUWLQPUIXCVDG-UHFFFAOYSA-N 454.456 2.943 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C(C)C)N1CCOCC1 1588189953 VGSWYBABVBAZOS-OAQYLSRUSA-N 487.446 2.866 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=C)Br 1588214335 QOBYPDIXGZTSEH-UHFFFAOYSA-N 461.389 2.610 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCN1CCN(C(C)=O)CC1 1588283729 DGRGDIFFXUGSRK-UHFFFAOYSA-N 493.837 2.985 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC(F)(F)C(F)F)CC1 1588763093 RJTOXKIWXBQZCC-UHFFFAOYSA-N 493.303 2.708 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C(N)=O)CCCC2)CC1 1588768683 JMQZRYNTOBIYEB-UHFFFAOYSA-N 485.430 2.817 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1588913212 CJTDTWAPMZPDAY-NHCUHLMSSA-N 465.646 2.997 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1cccc(F)c1 1589151128 RTWNLVNVGSCSHL-SGXKBVARSA-N 463.579 2.877 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(C)=O)CC1 1593718069 PEBLJPXQEZWPII-UHFFFAOYSA-N 478.391 2.977 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O 1595119865 IEFGLTXIXNHCRP-UHFFFAOYSA-N 472.640 2.862 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595506520 CCYICUVHYLICFI-OAQYLSRUSA-N 467.492 2.786 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1CCSC1 1595577257 MKGFLVJPPTWJDQ-OAHLLOKOSA-N 466.405 2.864 30 10 JFEE 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2.786 30 10 JFEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1617869585 CUEDZDVFENTZDS-UHFFFAOYSA-N 450.568 2.597 30 10 JFEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)CCO1 1619753336 BLZWIEJZQLNGNB-NFBKMPQASA-N 468.602 2.701 30 10 JFEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1620325444 BGGGHTORWLVSKF-IBGZPJMESA-N 468.602 2.843 30 10 JFEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1620325472 CGNJFZVZBXKNEF-KRWDZBQOSA-N 464.526 2.755 30 10 JFEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCc2ccccc2F)CCO1 1620356669 FKFJCYQHONZPIB-KRWDZBQOSA-N 454.531 2.770 30 10 JFEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1626676695 DDNYDMBWPAJAFW-RTBURBONSA-N 459.955 2.674 30 10 JFEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)c1 1628294952 DRHXUWFEUNCBDE-JOCHJYFZSA-N 453.612 2.957 30 10 JFEE C=C[C@H](CO)NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1633696132 QROJOEYCBUSRBO-VWQFJMCTSA-N 454.523 2.860 30 10 JFEE CC[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Oc1ccccc1C(F)(F)F 1641345194 DEYLAJJZPRZIIE-HNNXBMFYSA-N 455.458 2.829 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(C(=O)N(C)C)CCCC2)c1 1689870430 NOTUPBRPADIHNB-UHFFFAOYSA-N 473.581 2.978 30 10 JFEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1689886873 JITYRYROGVDUSK-LJQANCHMSA-N 475.597 2.831 30 10 JFEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1689897603 BWMNHBXJUIPDOV-IBGZPJMESA-N 452.578 2.601 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1689928696 UYNZAQSGKQGORE-RTWAWAEBSA-N 474.650 2.963 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689986935 ZVCGIZXYOVWMFU-FUHWJXTLSA-N 457.531 2.507 30 10 JFEE C#CCN(c1nnc(COCC)n1CCc1cc(Br)ccc1F)[C@@H]1CCS(=O)(=O)C1 1689996290 GQUGTSQCZAGEMS-QGZVFWFLSA-N 499.406 2.586 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCN(CC)CC2)CC1 1690132215 LMQOSDAQYCTQLJ-UHFFFAOYSA-N 461.614 2.606 30 10 JFEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690161444 FYIYXKXIGACGMX-INIZCTEOSA-N 475.416 2.596 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690179251 SDHYNRLXSGYWBC-LJQANCHMSA-N 465.627 2.768 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690229856 IKHOOGCUCOQSGK-SFHVURJKSA-N 491.365 2.683 30 10 JFEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690231833 PTVQNRJTPSWXSJ-SJLPKXTDSA-N 460.376 2.695 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690240804 KVXVDBYCHICCAG-PKTZIBPZSA-N 494.640 2.662 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690253015 LVGDUMVPMAWXFF-WMZHIEFXSA-N 456.591 2.916 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1690577270 FIUUNCLNEWIRHF-MOPGFXCFSA-N 495.671 2.680 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690630988 FKIAUHWHXWKJPE-KRWDZBQOSA-N 481.557 2.555 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1690632565 CZYYKVSSTATVKK-UYAOXDASSA-N 488.658 2.903 30 10 JFEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677797 ARYRTHLCDIQRGD-YKSBVNFPSA-N 490.004 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCCO[C@@H](C)C1 1690729180 IGTGYPMZNMUWAR-KRWDZBQOSA-N 466.629 2.795 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCC[C@H]1C 1694348790 CWZJDIXTVBDQES-HXUWFJFHSA-N 478.645 2.879 30 10 JFEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1694791798 HVMHZUPKWKRRDI-FQEVSTJZSA-N 452.559 2.529 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(Br)cc1 1705621323 XRXFHOIJTKSPAA-UHFFFAOYSA-N 460.376 2.605 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCN(C)C1 1705622022 VJPDUNDUVKKWHH-DVECYGJZSA-N 476.021 2.841 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Cn2ccnn2)CC1 1705655059 BWCGANXGNBCCOF-UHFFFAOYSA-N 475.420 2.910 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705731262 VEWFXMOHBVXJDJ-MRXNPFEDSA-N 451.369 2.733 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1705786085 FWXMTILMIGRKDK-SFHVURJKSA-N 461.632 2.979 30 10 JFEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705826667 ZHWPZLQWOKUXNI-UHFFFAOYSA-N 471.569 2.650 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC(=O)N1CCOCC1 1705838044 ZNZCCPWKJDFKHT-UHFFFAOYSA-N 451.527 2.988 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN2CC)C1 1705920528 ZCBYTMNXFKNUEU-WOJBJXKFSA-N 459.616 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705937990 KIQOVRQPCNVMDE-WOJBJXKFSA-N 461.632 2.685 30 10 JFEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1706710291 GOQBNLCRYUMIBA-VWLOTQADSA-N 495.672 2.721 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCN(C(C)C)C(C)C)CC2)c1C#N 1707807481 AYSVGQRQSWTRTH-UHFFFAOYSA-N 453.639 2.590 30 10 JFEE 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YQGVUHIHMBHPOR-AREMUKBSSA-N 482.629 2.882 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nc(C(F)(F)F)cs2)C1 1286811902 JRJYQFNRHURNCA-CYBMUJFWSA-N 456.494 2.705 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286823600 WPNVTOACLDBNRV-HKUYNNGSSA-N 481.663 2.961 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCOCC2)c1 1289465753 FFNIQTMAOLJLJX-LEWJYISDSA-N 468.602 2.738 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[C@H](O)C2)c1 1300333563 AJOGCTCZVCBJPP-VWPQPMDRSA-N 451.571 2.779 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C2CC2)N(C)C)c1 1300334513 NWVPLBWONRIGRL-HSZRJFAPSA-N 457.582 2.660 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccc(NC(C)=O)cc1 1300465795 QOBBGUAXCWSTRV-NRFANRHFSA-N 482.585 2.857 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300485133 XPLUWLGYTHVRGC-HKUYNNGSSA-N 480.537 2.598 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1300495395 GZLIHMHKIAELFF-GMAHTHKFSA-N 485.654 2.693 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1300504968 WSMKEEKTSSZVLZ-IBGZPJMESA-N 485.635 2.800 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300505290 ZFZYKZAJLJVNEW-GDBMZVCRSA-N 487.409 2.826 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1OC 1300546949 ANDUIFARRKBBEO-IBGZPJMESA-N 480.569 2.883 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1NC(=O)CC1(C)C 1300637607 HXFRNZUCWXDQHX-QGZVFWFLSA-N 460.376 2.994 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCOC[C@@H]1OC 1300663609 FVSIHXNHXBVRQY-KNQAVFIVSA-N 451.527 2.738 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN(C)C2CCCC2)CC1 1300726972 SUJBLKGIFZLWDI-UHFFFAOYSA-N 478.641 2.718 30 10 JFEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1300848538 GRDMCPWHGRCEPJ-HNNXBMFYSA-N 459.410 2.628 30 10 JFEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300974683 LAWRISGLJBPGLQ-LJQANCHMSA-N 463.560 2.850 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300980546 JXVXCYJJVXWDBJ-QGZVFWFLSA-N 460.966 2.756 30 10 JFEE C=C(Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1301009590 ANUILQLSSVLXTN-DEOSSOPVSA-N 489.642 2.550 30 10 JFEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1301327358 QDXPJEUMAZXTEX-RTBURBONSA-N 495.646 2.709 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1301553810 TUWUJKRKSWAJII-HXUWFJFHSA-N 455.584 2.658 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301586913 KMLKOGIAKHSECB-KRWDZBQOSA-N 480.581 2.879 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(-n2cccn2)c1 1301956057 CSMJAFFUACKKOT-KRWDZBQOSA-N 476.566 2.573 30 10 JFEE CC[C@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1306293076 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1359092847 GYPXMCANZUYSMZ-HOJAQTOUSA-N 475.571 2.848 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCOC)CC1 1359103849 UNZKSNOTESYYPH-WMZHIEFXSA-N 459.566 2.746 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359103883 UZQSLTUYPQTQGD-LZJOCLMNSA-N 466.579 2.847 30 10 JFEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1359119397 QPGIDKKGYJZQOY-UHFFFAOYSA-N 458.357 2.504 30 10 JFEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1359121726 GAUUZUVYCDCJGV-RBUKOAKNSA-N 451.637 2.669 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359292176 JKRFEXLVEVWJDY-YADHBBJMSA-N 493.612 2.747 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C)=C(Br)C1 1359333542 AZDGDPGZKZADLU-UHFFFAOYSA-N 466.405 2.744 30 10 JFEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1359335912 YHSUJZHMETWOJE-GOSISDBHSA-N 499.431 2.756 30 10 JFEE C=CCSCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359346485 MQDRJJLBDUASHC-QFIPXVFZSA-N 451.637 2.543 30 10 JFEE CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CCO1 1359521697 DHPJRMJZHAFTKE-YADHBBJMSA-N 452.603 2.915 30 10 JFEE C#CCN(C(=O)c1nnn(-c2ccn(C)n2)c1C)[C@H]1CCOc2ccc(Br)cc21 1435174670 HZDFCFNXILNWBH-INIZCTEOSA-N 455.316 2.671 30 10 JFEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1436929243 IQIFFJGSVXFJJH-IHRRRGAJSA-N 463.419 2.761 30 10 JFEE CCN(CC)Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1501909847 IBUSACDVSMESOR-GOSISDBHSA-N 473.647 2.518 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(-c2ccccc2)n1 1507538626 OCHYNWYFUVUWFV-AZUAARDMSA-N 492.584 2.673 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCN2CCCC2)c1 1507552157 LWCGNLXUCQYFLU-UHFFFAOYSA-N 457.582 2.806 30 10 JFEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507594411 FRFYAFLWLCMMKM-UHFFFAOYSA-N 489.624 2.713 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507631795 GGOBPDYGTDNCNQ-YPAWHYETSA-N 471.627 2.634 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1507635190 QFDYPCMFYFAADL-LJQANCHMSA-N 485.635 2.626 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1507635760 ZLQMMZUSAVOALY-QGZVFWFLSA-N 499.559 2.878 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1507635958 WQYRNQHKVUWUAB-QHCPKHFHSA-N 461.591 2.776 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(F)(F)C1(OC)CCOCC1 1507646256 RXHUKYJHVARWMO-UHFFFAOYSA-N 472.492 2.620 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(Cl)cc2)CC1 1507727625 QVAJYTBUSZPWLX-UHFFFAOYSA-N 485.013 2.757 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCOC(C)C)CC1 1507740291 KWBFHEBHLSLPBU-UHFFFAOYSA-N 453.587 2.865 30 10 JFEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507748657 QPLUFDDKKLXMHN-QGZVFWFLSA-N 462.558 2.827 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507750089 IKYBLHAIYZSMGM-UHFFFAOYSA-N 467.574 2.537 30 10 JFEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCN1CCOCC1 1507789623 GFPRKKXJHYBHMH-UHFFFAOYSA-N 459.392 2.958 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507803457 GTHRXYHLHIQPCA-PGRDOPGGSA-N 477.606 2.507 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1507820836 NYRDRBIYUANSLN-LJQANCHMSA-N 499.584 2.972 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507830746 WQTMDZOLLHWFSE-QZTJIDSGSA-N 483.635 2.566 30 10 JFEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1507843800 UOVUYEPYQJJZMA-UHFFFAOYSA-N 493.612 2.620 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1507935265 OJRVVDPSVLSRLP-FGZHOGPDSA-N 489.642 2.935 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507961954 JOFMQILDPHBLEE-UHFFFAOYSA-N 458.954 2.763 30 10 JFEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1507971513 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478.372 2.612 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507638421 FHXMHCUBJOUWKX-SQJMNOBHSA-N 470.639 2.631 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507639067 JBQDPXVIOGCTET-DOTOQJQBSA-N 469.032 2.889 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1507645825 LYQXIJCWSKXPOS-UHFFFAOYSA-N 465.554 2.902 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc3ccccc3s2)CC1 1507733648 GXVSLLBYWBVTBO-UHFFFAOYSA-N 478.622 2.840 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)C2CC2)CC1 1507734550 ZKWITHGATXMCSW-UHFFFAOYSA-N 463.586 2.718 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507735353 UAWWIUAGJKXDMY-MRXNPFEDSA-N 484.910 2.927 30 10 JFEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1507743960 GMFDJLOHTWDJGR-HSZRJFAPSA-N 458.584 2.954 30 10 JFEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1507781653 FIKFZOUOBMOIIY-GOSISDBHSA-N 487.402 2.845 30 10 JFEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508093779 CSYNKZQWVWLURY-UHFFFAOYSA-N 464.614 2.594 30 10 JFEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1508162857 QPYADEJSTRPCAW-LJQANCHMSA-N 466.615 2.581 30 10 JFEE CC(C)N(C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1509524131 HESLDEFEVVBJIR-UHFFFAOYSA-N 462.577 2.941 30 10 JFEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)OC(C)(C)C)CCO2)c1 1511414792 FMNCPQAFVQYJCB-NRFANRHFSA-N 492.584 2.752 30 10 JFEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1515366530 CJSKIPGWBMEZBN-UHFFFAOYSA-N 460.585 2.533 30 10 JFEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1518663099 FBXJGIATBFNTFY-UXHICEINSA-N 496.612 2.665 30 10 JFEE C#C[C@H](NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)C1CCOCC1 1532934426 PWXQRRUOTRWGOB-CABCVRRESA-N 453.490 2.556 30 10 JFEE COc1cc(OC)cc(N2CCCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)c1 1533703212 HTGDZRLLDJDBEC-UHFFFAOYSA-N 453.543 2.827 30 10 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476.610 2.560 30 10 JFEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1539575314 ZVZXDYGIMCGOOP-CYBMUJFWSA-N 499.391 2.874 30 10 JFEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1539722519 OOSWUMXSKQZROX-UHFFFAOYSA-N 450.584 2.503 30 10 JFEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1539743574 LEDJNICYHCVSDA-UHFFFAOYSA-N 466.590 2.782 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1)c1ccccc1 1539946784 DPTHNDASXZCTFG-TZIWHRDSSA-N 459.616 2.960 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1539986109 UPFHFLBGKSDXAR-UHFFFAOYSA-N 464.551 2.850 30 10 JFEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1540007224 LLFDMEYRZZWFQK-UHFFFAOYSA-N 473.628 2.506 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccc(C)cc1 1540077363 KNBPYGUMAQPUFK-FQEVSTJZSA-N 484.601 2.947 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1cn[nH]c1 1540198044 BUBRWIGSDLUFFP-LJQANCHMSA-N 459.595 2.997 30 10 JFEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1540858545 DETPLFHRUGIHDL-UHFFFAOYSA-N 455.950 2.765 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2CCCC[C@@H]2C1 1540866386 LSSSJXHSECXVOG-MRXNPFEDSA-N 477.382 2.823 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1540879666 LCMXGUSEUCXFGR-FPOVZHCZSA-N 488.658 2.566 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1540890234 BMXQVIOWMTYCQH-IRXDYDNUSA-N 453.465 2.948 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540899576 SXNNWBXEZZXCJS-SUMWQHHRSA-N 484.409 2.568 30 10 JFEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1545533253 GFKDZUFFEGYRJJ-ROUUACIJSA-N 474.606 2.954 30 10 JFEE CNC(=O)[C@H]1CN(C(=O)NCCCOC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375681 UTFBKFXMAMZQLS-LJQANCHMSA-N 481.519 2.588 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 1565808790 TYTSGABCSQVGCM-HXUWFJFHSA-N 458.603 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C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1705899643 AVBODEYXSRYJCW-IBGZPJMESA-N 470.480 2.822 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705906835 QEOMFFAPMZFDRJ-FQEVSTJZSA-N 495.584 2.860 30 10 JFEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1705912229 DIUKXSZYDWKTIJ-UHFFFAOYSA-N 482.972 2.902 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCCCC1 1705934874 ZPONKFYDZUUQOD-UHFFFAOYSA-N 484.626 2.809 30 10 JFEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)C(C)C)CC1 1706032846 CSXYIDAOLOKFLO-UHFFFAOYSA-N 453.591 2.564 30 10 JFEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C[C@@H](C)O1 1712282691 AEZRUQJCDDKYGV-VQIMIIECSA-N 466.567 2.548 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1722294439 HCJDEHMRKSBZCU-GDBMZVCRSA-N 456.490 2.628 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2C[C@@H]2C)c1 1722307446 OCJSHTZFDSDWHG-WMZOPIPTSA-N 462.579 2.982 30 10 JFEE 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2.921 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1722665826 OEIBRZMJRGGEPX-PKTZIBPZSA-N 474.613 2.729 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722672357 OTAUCOREAONSDI-FQEVSTJZSA-N 467.599 2.604 30 10 JFEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1722700987 BPZVHRUSEWHFMZ-GOSISDBHSA-N 460.376 2.873 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722726768 HZUZXJSDIPVUPA-GASCZTMLSA-N 492.552 2.922 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1722868907 FFQAUEKVIZMLNP-WZONZLPQSA-N 474.606 2.800 30 10 JFEE CC(C)(C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1724002363 GFIIJPBYWFNGIQ-QHCPKHFHSA-N 472.615 2.641 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1740608544 GWSIMSXGCQJJDQ-LJQANCHMSA-N 479.585 2.811 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740625319 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C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C)nc2)CC1 1286486162 BIJYLFZHXPILPH-UHFFFAOYSA-N 459.510 2.571 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2conc2COC)CC1 1286488021 KBERBPKAAFWLNM-QFIPXVFZSA-N 476.581 2.969 30 10 JFEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](SCC)C1 1286790546 UFYRSDLGHCCKEC-LJQANCHMSA-N 453.616 2.931 30 10 JFEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1C1CCC1 1286823494 OVLLOCCNNJPIDJ-KRWDZBQOSA-N 463.629 2.639 30 10 JFEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1)C(=O)OC(C)(C)C 1298696834 BOCMSNIMPYPEHN-GOSISDBHSA-N 467.574 2.775 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCCC)c1 1300332738 MMDGHQKCMWENOA-UHFFFAOYSA-N 484.564 2.967 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[C@@H]2COCCO2)c1 1300336577 KBMWMPWDFQETEE-JOCHJYFZSA-N 451.571 2.873 30 10 JFEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300344629 FVSIWFRJLGQDSR-DOTOQJQBSA-N 459.392 2.907 30 10 JFEE 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483.613 2.530 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1300691010 MGVATWBZNJOGFC-UHFFFAOYSA-N 463.973 2.547 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(C)cc2OCCOC)CC1 1300712422 RVIXCDXPMQHUIH-UHFFFAOYSA-N 453.587 2.749 30 10 JFEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1300848330 DIBTUTUROGKRHU-HOTGVXAUSA-N 498.422 2.943 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300897175 OUFQMWPOEUIQLE-HWBMXIPRSA-N 475.634 2.652 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300974439 ITFQGFRVEVHFAO-AWEZNQCLSA-N 467.368 2.905 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1300975686 YVVVLGORJZYQMI-UHFFFAOYSA-N 488.532 2.835 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)C1 1301241753 WPSPHPTZCCRRGJ-UHFFFAOYSA-N 454.756 2.890 30 10 JFEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1301270004 AGTYQSCVVQXPBF-OAQYLSRUSA-N 459.597 2.549 30 10 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30 10 JFEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 1301519784 YHKYKGLNTAAYGD-HXUWFJFHSA-N 480.613 2.676 30 10 JFEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1303639610 FUYYGUDMFMIPNY-CEXWTWQISA-N 460.604 2.739 30 10 JFEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN(C)CC(F)(F)F 1314377601 FRURIIYEWCHMPI-UHFFFAOYSA-N 479.551 2.893 30 10 JFEE C#Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1348067533 XDQLQUHPEHKYEM-UHFFFAOYSA-N 455.580 2.716 30 10 JFEE N#Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1Br 1349983177 HBRZXNWGVYLRMB-QGZVFWFLSA-N 450.358 2.951 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC)OC)c1 1358903240 PJZPXEKVENEHAI-QFIPXVFZSA-N 471.565 2.998 30 10 JFEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1358964908 JVXRYFQKHYGMIS-KRWDZBQOSA-N 488.411 2.886 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1358966565 RNSAGGCDLNNFPQ-QHCPKHFHSA-N 493.633 2.921 30 10 JFEE 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C[C@H](NC(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2284048505 LSMOKWGNYRUSCR-QCSRNSKWSA-N 460.380 2.581 30 10 JFEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285187838 JONIKHZDBPCIDZ-GOSISDBHSA-N 466.359 2.671 30 10 JFEE CCON(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C)C1CN(C(=O)OC(C)(C)C)C1 2285215056 OZXCICHNVDCXIR-UHFFFAOYSA-N 461.368 2.702 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)c1 2285347642 NKLLKASJHUJURE-QGZVFWFLSA-N 462.396 2.642 30 10 JFEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 2297056661 NVAPZYYRSQLGRM-JOCHJYFZSA-N 481.505 2.747 30 10 JFEE CC(C)(C)OC(=O)N1CC(CCCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315695709 RTACWJLFMRFVHB-UHFFFAOYSA-N 451.398 2.819 30 10 JFEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)OC)cc2)cc1 2326655814 ZRDMDKAHOHIBPO-UHFFFAOYSA-N 469.523 2.502 30 10 JFEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2330793160 DNQZHGDIWFKPKY-MRXNPFEDSA-N 494.577 2.537 30 10 JFEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(C(=O)OC)cc1 2331310738 CRTKUYPWUNKWHD-UHFFFAOYSA-N 467.551 2.544 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2334001711 AXIUIIKOGVMCOH-QPHKYOTMSA-N 450.385 2.832 30 10 JFEE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2340776134 XFPHJSYAOXLXDK-XLOAEROZSA-N 463.409 2.962 30 10 JFEE COc1nc(OC[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365377242 YOJCASHMYGDBJO-WBVHZDCISA-N 464.368 2.698 30 10 JFEE Cc1scc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2369531011 SDEVEDMUDIRTMV-DOTOQJQBSA-N 480.436 2.703 30 10 JFEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccccc2)NCCc2ccc(S(N)(=O)=O)cc2)n1 14161622 UIFZQIYSDDMJBT-UHFFFAOYSA-N 467.555 2.573 30 10 JFEE C#CCOC[C@H](O)CN(Cc1nc2scc(-c3ccc(OC)c(OC)c3)c2c(=O)[nH]1)C(C)C 36207710 APIIJYKCHPNITM-QGZVFWFLSA-N 471.579 2.890 30 10 JFEE COc1ccc(OC)c(/C=C2/Oc3c(ccc4c3CN(CCN3CCOCC3)CO4)C2=O)c1 37857409 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CC#CC[C@H](NC(=O)COCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757203456 YNHKWWDTVAVQIQ-QFIPXVFZSA-N 450.491 2.525 30 10 JFEE C[C@@H](O)[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757405317 ZQJOEBQHMAPEJU-XARZLDAJSA-N 479.533 2.928 30 10 JFEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)ccc(Cl)c2Cl)c(=O)n1C[C@@H]1CCCO1 818221766 UFIRDEVQZBRTIL-LBPRGKRZSA-N 498.819 2.854 30 10 JFEE C#CC[C@]1(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1126396197 TUDUQZNZHXPRHE-UQBPGWFLSA-N 455.555 2.576 30 10 JFEE N#CC1(CNC(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CCOCC1 1211124133 CXCXVOTZIAWMFY-UHFFFAOYSA-N 452.534 2.667 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@@H](O)C2)c1 1286309589 SLZMIXXIKGNVKV-AIUHUKMKSA-N 495.624 2.926 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1286310164 BUZZYSASUQOJJH-MOPGFXCFSA-N 490.530 2.722 30 10 JFEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286314296 BFXHLYVEUBVLND-HNNXBMFYSA-N 454.394 2.853 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H]1CCO[C@@H](C)C1 1286379327 NTMOQRSJUIBILL-GOTSBHOMSA-N 450.631 2.917 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NCc1ccccc1 1286379881 DDZQTGCFWDNUEC-BGYRXZFFSA-N 466.586 2.825 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286383415 MMDNRFNQVOMLLK-GOSISDBHSA-N 481.569 2.513 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)c2ccccc2)CC1 1286492233 FIYPPSPBPBFWEL-JOCHJYFZSA-N 464.614 2.664 30 10 JFEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286531822 QIWBTXVYRSEZQE-DOMZBBRYSA-N 483.436 2.662 30 10 JFEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286597307 HKPRMHIFTSTAJI-UHFFFAOYSA-N 467.574 2.902 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286604562 MTYXMMJGNJZNSS-RBBKRZOGSA-N 489.642 2.793 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286612756 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HMTMPBDDUVLCMF-UHFFFAOYSA-N 483.594 2.829 30 10 JFEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)c1 1289465754 FFNIQTMAOLJLJX-NHCUHLMSSA-N 468.602 2.738 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)cc1 1296501342 ZDIDZCLMZKNQCR-UHFFFAOYSA-N 455.536 2.619 30 10 JFEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1297696228 HZAPWUFCJXEWDD-UHFFFAOYSA-N 483.579 2.598 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2nccs2)CC1 1299121846 GOIWXRHDQMTGNT-INIZCTEOSA-N 465.583 2.951 30 10 JFEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1300409776 JXAFZIAFLUSNPG-OALUTQOASA-N 479.647 2.677 30 10 JFEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(C(F)(F)F)c1 1300455463 KCHNXXMRWUOZBO-UHFFFAOYSA-N 453.428 2.724 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300484720 UQWAAMBOLQBOQS-UXHICEINSA-N 462.591 2.854 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCCCC1 1300591735 VVEIZQQKVJUGNH-UHFFFAOYSA-N 452.628 2.997 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)noc1C 1300631540 SGPKZBWDOQUHOT-IBGZPJMESA-N 458.563 2.953 30 10 JFEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc([C@@H](C)O)cc1 1300658169 YFSFAWVVXXOAPI-LJQANCHMSA-N 496.637 2.734 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(CC)CC)cc2)CC1 1300719655 KZIGGBGKVQVFGW-UHFFFAOYSA-N 474.613 2.539 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCO[C@@H](C)C2)CC1 1300726567 NXWZJIGOWCXYFB-ROUUACIJSA-N 471.552 2.928 30 10 JFEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300778105 MJUFLTKKKAUVMX-OTWHNJEPSA-N 488.658 2.774 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1300820709 FKXRBJLCRGFCDS-UKRRQHHQSA-N 483.411 2.772 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 1300896940 MAENFCDZUGGRSN-KNQAVFIVSA-N 454.575 2.608 30 10 JFEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1301163682 LSUPJOIWKIJIMR-GGAORHGYSA-N 494.640 2.659 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nc(C(F)(F)F)cs2)C1 1301555719 DBEORUGZSDFHHZ-KBPBESRZSA-N 491.561 2.680 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNC(=O)OC(C)(C)C)C1 1301557362 OMABVXRESMMTCX-HXUWFJFHSA-N 498.632 2.758 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1301588031 BKYBMDANMLSWRP-HZPDHXFCSA-N 453.634 2.908 30 10 JFEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CC1 1301878845 GOTIHIXSQLRFQJ-UHFFFAOYSA-N 463.586 2.572 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1302227828 HIGOWOAATMZEKC-YADARESESA-N 491.612 2.639 30 10 JFEE N#Cc1ccc(CN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)(F)F)C2CC2)cc1 1302991174 CSMFRMVHHCLHSC-UHFFFAOYSA-N 469.471 2.983 30 10 JFEE Cc1nnsc1Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CC#N 1304120676 ANZNTYLPLXMQDB-SFHVURJKSA-N 465.631 2.589 30 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493.427 2.759 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1705562914 MNHOVLQUFMHPLP-SFHVURJKSA-N 478.018 2.827 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705570476 QCWLTYNQFPJLSI-OAQYLSRUSA-N 469.636 2.926 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1CC(OCC)C1 1705580872 RZWUAEKMDQBOQE-UHFFFAOYSA-N 454.600 2.516 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N2CCOCC2)CCSC1 1705593455 QWZHYNMGFYSPQV-HSZRJFAPSA-N 471.030 2.664 30 10 JFEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705727541 MFNJNXPJUXUMGP-FQEVSTJZSA-N 452.603 2.839 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705776964 UYAFSCBSDVZNDA-AUSIDOKSSA-N 469.577 2.689 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705787658 ZFIPHGRWBCNLBO-UHFFFAOYSA-N 456.595 2.534 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC 1705884737 WZJFVVRJEBXYCP-OAHLLOKOSA-N 454.980 2.529 30 10 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490.029 2.538 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)[C@@H](C)CC 1740676987 ORVFJYGIHHFZOM-GEQKSPFYSA-N 462.591 2.756 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(CS(C)(=O)=O)CC1 1740680895 RIEZRKACUGPJPS-UHFFFAOYSA-N 499.406 2.758 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](CC)N2CCCC2)CC1 1740701763 PDUUYAMOPJDCNO-QFIPXVFZSA-N 494.640 2.803 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)c2nc(C)cs2)CC1 1740703937 DFBJSTSDLCXILZ-MRXNPFEDSA-N 451.600 2.818 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2ccco2)N2CCCCC2)CC1 1740707731 NQHSRHOMJKURMO-OAQYLSRUSA-N 468.602 2.601 30 10 JFEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1740708911 FFVSBYCEHRBOBQ-CQSZACIVSA-N 475.562 2.910 30 10 JFEE C#CCSCCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740717920 CUXRPTYBZGDFHJ-SIKLNZKXSA-N 458.676 2.681 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740719792 LNWFDFNFKYBTSC-UHFFFAOYSA-N 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C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1690723635 XGXUTLRUJGYPFH-UHFFFAOYSA-N 462.591 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)F)CC1 1690724993 ARVGOFRCBUCRFQ-UHFFFAOYSA-N 473.977 2.510 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnn2)C1 1691224193 FKCCNLMHWSBDDS-VGSWGCGISA-N 473.557 2.516 30 10 JFEE C[C@H](CN1CCCCC1)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1692734084 DBZAWLBIFRHMBT-VGOFRKELSA-N 459.595 2.834 30 10 JFEE Cc1ccc(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(C)(C)O)cc1C 1693145907 FXPAYWSONWTTIP-UHFFFAOYSA-N 461.570 2.838 30 10 JFEE CCCN(CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)OC(C)(C)C 1695337320 FFWINWXLPAFNGP-QGZVFWFLSA-N 469.594 2.610 30 10 JFEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@@H](CC)OC)CCOC1 1696079886 FEMCNSIMTHRUFA-YKSBVNFPSA-N 454.575 2.553 30 10 JFEE CSc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1698374403 GNCJYGZFUFEIMD-MRXNPFEDSA-N 462.645 2.983 30 10 JFEE 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C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705823602 PJQSSGHMSXPEDW-OAQYLSRUSA-N 455.559 2.660 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCCO1 1705829237 LDCYMBNEUAVQPO-GOSISDBHSA-N 452.559 2.790 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 1705830202 KUBBSDUMYMGVGU-YADARESESA-N 477.606 2.796 30 10 JFEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1705830233 LLZYRFPCCBBJHZ-VGOFRKELSA-N 464.542 2.621 30 10 JFEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705835831 VZAFIOFXDDEIFO-RUZDIDTESA-N 455.603 2.557 30 10 JFEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705886371 PEAQRDGMKUJHJO-UHFFFAOYSA-N 486.374 2.951 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)NCC(F)F)C1 1705924665 FHUWLDWAGPCDRQ-KRWDZBQOSA-N 498.575 2.555 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705931104 FYRSWVUMFFIGIX-YOEHRIQHSA-N 474.505 2.711 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCOC2)C1 1705931377 OBDYOCRJVXLZSW-NRFANRHFSA-N 468.526 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1705931962 GOFFZZLTJWJSNH-UHFFFAOYSA-N 466.489 2.991 30 10 JFEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)N1CCOCC1 1706255353 DBYOIPQAKCWYIE-WOJBJXKFSA-N 478.519 2.941 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCC1(C)C 1706621488 CVEUNAJWCGZAAV-QZTJIDSGSA-N 465.606 2.619 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCN(C)Cc3ccc(F)cc3)CC2)c1C#N 1707807539 DBOFGZZHACTPAE-UHFFFAOYSA-N 479.608 2.913 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1711445629 GIQXOOVFESVEFJ-IBGZPJMESA-N 466.542 2.683 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCc2ccccn2)c1 1722307659 SOPXKGCLIBNHSH-UHFFFAOYSA-N 451.534 2.958 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2ncnn2C(C)(C)C)c1 1722307691 UNQGTUOSBQRHRJ-UHFFFAOYSA-N 483.580 2.715 30 10 JFEE 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460.380 2.950 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOC1CN(C(=O)OC(C)(C)C)C1 2362410927 BICBSORKOFUXGZ-UHFFFAOYSA-N 460.380 2.660 30 10 JFEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362565520 FMOLCJYDBOBLMD-OAHLLOKOSA-N 481.424 2.540 30 10 JFEE COc1[nH]c(=N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365346689 XNSBEOSLUMIUDH-LAQRGFTBSA-N 459.396 2.915 30 10 JFEE CC(C)(C)OC(=O)NCC12CC(C1)[C@H](C(=O)N1C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C1)CO2 2368786189 YIRDKMYIYARXNL-VOQVYCRFSA-N 462.396 2.857 30 10 JFEE Cc1scc(C(=O)N(CCNC(=O)OC(C)(C)C)CCN(C)C)c1B1OC(C)(C)C(C)(C)O1 2369519321 YHEVWITVOXRIND-UHFFFAOYSA-N 481.468 2.884 30 10 JFEE C=CCC1(N[C@]2(C(=O)O)CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CN(C(=O)OC(C)(C)C)C1 2379610847 UEBVSSGQRNUVAE-RPWUZVMVSA-N 481.590 2.765 30 10 JFEE CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 23457560 XIJYGVCEAAXETG-UHFFFAOYSA-N 479.562 2.806 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 29148559 TVCDCTIMIZJUMB-UHFFFAOYSA-N 457.533 2.991 30 10 JFEE Cc1c(C(=O)COc2c(F)c(F)c(F)c(F)c2F)c(O)n(C[C@@H]2CCCO2)c(=O)c1C#N 38618973 FGQCWGNOLSUCEX-VIFPVBQESA-N 458.339 2.870 30 10 JFEE COC(=O)CN1C(=O)C[C@H](C(=O)Nc2cccc(OC)c2)S/C1=N\c1ccc(OC)cc1 58943966 XVQRKGARVCRYKD-FNWSHLARSA-N 457.508 2.837 30 10 JFEE Nc1ncnc(NN=CC2=C(N3CCOCC3)/C(=C\c3ccc([N+](=O)[O-])cc3)CC2)c1[N+](=O)[O-] 254449677 QYOXGWVIJVMYII-QOBLAGSZSA-N 466.458 2.737 30 10 JFEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1O 526743935 HEOAFBFDDSHCFK-OAQYLSRUSA-N 480.498 2.831 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(C(=O)OC)cc(OC)c(OC)c3OC)cc2C1=O 585694942 GFMZIJIZBWTWDL-UHFFFAOYSA-N 454.435 2.533 30 10 JFEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 586663819 MYDGTSHUPABDCT-UHFFFAOYSA-N 456.524 2.970 30 10 JFEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Br)ccc3OC)N2N1 588225723 RVAVJDGFSKEPJH-SFHVURJKSA-N 457.353 2.520 30 10 JFEE C#CCN(C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@H]1CCS(=O)(=O)C1 729331451 PEUWMKYSXCAYEZ-IBGZPJMESA-N 494.491 2.985 30 10 JFEE C#CCOc1ccc(Br)cc1/C=C1/SC(=S)N(CCN2CCOCC2)C1=O 814273791 BDQJGRUSXLFICY-GHRIWEEISA-N 467.410 2.995 30 10 JFEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CCN1C(=O)COc2cc(Br)ccc21 915520059 QBXZMYMBUNSPSA-AWEZNQCLSA-N 453.333 2.921 30 10 JFEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C/c3ccccc3)n2)cc1 1084390093 KPFVMOKCGWVEFQ-KVXNKJQRSA-N 485.595 2.945 30 10 JFEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 1084412489 MDQOVHVHMJCGLP-UHFFFAOYSA-N 468.326 2.887 30 10 JFEE C#CCN(C(=O)c1cc(S(N)(=O)=O)c(C)o1)[C@H]1CCOc2ccc(Br)cc21 1136805190 VVUMLTIWSFEAEQ-AWEZNQCLSA-N 453.314 2.597 30 10 JFEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1216704707 DIRWSWOOLZNMBJ-RTBURBONSA-N 455.584 2.705 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1286324854 SOOKGKLNFUMEIN-FQEVSTJZSA-N 475.659 2.649 30 10 JFEE 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30 10 JFEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1301240157 ZPOWOZZZFGEHDW-GRDNDAEWSA-N 466.435 2.501 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)C(C)C 1301338983 BJVDQJQUKNIFJB-SFTDATJTSA-N 457.600 2.915 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1301404682 REGLNKYSWVLSTK-FQEVSTJZSA-N 477.606 2.906 30 10 JFEE COCCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301423169 DLBSRJOZYUVSES-SFHVURJKSA-N 461.574 2.780 30 10 JFEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301426318 RGZUPWMISJFUTL-RBUKOAKNSA-N 453.653 2.710 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301438833 DSSPGTKRNRZKHS-VWLOTQADSA-N 484.601 2.909 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1301482668 AAKCMFOTRKHKOJ-NRFANRHFSA-N 489.349 2.575 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ncnn1CC(F)F 1301484517 HSJZQVMBOSYBEM-AWEZNQCLSA-N 490.584 2.927 30 10 JFEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)CCC)C2)cc1 1301525876 KBKCBWWAGWIQIF-CTNGQTDRSA-N 466.586 2.727 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1301569102 PQDGORVLSOYGEE-HSZRJFAPSA-N 487.670 2.722 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1301579519 UFLRAZCTYHEGTM-UHFFFAOYSA-N 470.643 2.816 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1301589445 SBGRSLQYLLOJFM-WZONZLPQSA-N 497.662 2.814 30 10 JFEE CSC1(Cn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1302624620 DNBAYTDVJSPVBH-HXUWFJFHSA-N 456.616 2.722 30 10 JFEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1306783532 IFCURHSQZGFLQD-QFIPXVFZSA-N 451.619 2.707 30 10 JFEE CCN(CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1313663015 FPFHWFMXAWTLJB-SFHLNBCPSA-N 467.622 2.627 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nc(C)cs1 1316085578 BOCXCGBKADHYRV-UHFFFAOYSA-N 453.572 2.754 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)Cc1cccs1 1358930295 RTQWKAIMDJRUNP-HXUWFJFHSA-N 489.623 2.886 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1358959584 LVPGSFKUWZTDPG-KRWDZBQOSA-N 493.427 2.927 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358961909 GYEGIHYVRRNEJW-VSKRKVRLSA-N 477.675 2.801 30 10 JFEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1OC(F)F 1358975792 DZUUMRUEBWWUMF-UHFFFAOYSA-N 484.532 2.961 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cc(C)no1 1359023862 YSSAHOHICFRBCL-UHFFFAOYSA-N 461.526 2.667 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1359044470 HAFCNSDULCQDGV-QUCCMNQESA-N 469.561 2.745 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1359047787 TWROCTRFIBABKQ-CJAUYULYSA-N 471.577 2.759 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC(C)C)C1CC1 1359098419 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CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1504476991 BCKNIHVXYJYXLI-IBGZPJMESA-N 486.623 2.780 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2cccc(N3CCOCC3)n2)c1 1507548240 QBRYXJIVLAUQAQ-UHFFFAOYSA-N 487.608 2.912 30 10 JFEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507578607 ZUSBZFOXYUMRQQ-PMACEKPBSA-N 452.603 2.886 30 10 JFEE C#CCN(c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507624836 FFUFHMOYBZRRMQ-CQSZACIVSA-N 492.026 2.528 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1507635073 PGQLVKXDIOMEDM-NRFANRHFSA-N 481.647 2.969 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(C)CC(F)(F)F)CC1 1507721735 SXDGVXMZZFONDZ-UHFFFAOYSA-N 470.927 2.856 30 10 JFEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)Nc2c(C)cccc2C)CC1 1507724595 TXGMMCUFNDIVHD-UHFFFAOYSA-N 463.611 2.645 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507749041 VQAOKGBNTJNUGZ-HYBUGGRVSA-N 496.681 2.699 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCC2=O)CC1 1507790825 DMRUPDZCEWZAKP-YJBOKZPZSA-N 468.396 2.502 30 10 JFEE C=C(Br)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507792759 KPPKPIKYPGEAMQ-OAQYLSRUSA-N 497.438 2.611 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1OC 1508040749 ACNFXPNDONHNKA-FXAWDEMLSA-N 452.559 2.646 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1508041926 WAZBLSQQLKUBNM-UHFFFAOYSA-N 452.559 2.526 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(C)C)CC1 1508074834 RWNCRIJBJYSXQY-UHFFFAOYSA-N 479.398 2.927 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1508078663 FYNMXGXWWUQSJQ-UHFFFAOYSA-N 458.570 2.849 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1508110078 XPFNMDBVNFSXCX-GOSISDBHSA-N 464.574 2.721 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2F)C1 1508140091 KOPQEDRLDIBAEX-NRFANRHFSA-N 471.558 2.966 30 10 JFEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2nc(C)cs2)CCO1 1508381861 HSUKRRNIEXHHKC-HRAATJIYSA-N 495.609 2.639 30 10 JFEE C=CCN(C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)[C@@H]1CCS(=O)(=O)C1 1520935433 OOOXRIQCSZYHSA-MRXNPFEDSA-N 453.561 2.604 30 10 JFEE C=C(C)COCCNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 1525655557 QKNUUTPSNRRPRT-IBGZPJMESA-N 458.584 2.822 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1539124046 BRVDEIYDIMOQKJ-CVEARBPZSA-N 470.521 2.650 30 10 JFEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539124738 RAFAEOPPTJTPSN-UHFFFAOYSA-N 489.001 2.576 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539201943 DABVSCGXDXAYOK-DHIUTWEWSA-N 499.681 2.584 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1539204073 YLKUPHHBOACAHC-RBUKOAKNSA-N 454.600 2.858 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539210614 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C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C 1690056065 DLEBQYXTPYWBSX-KDURUIRLSA-N 470.618 2.674 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2COCCO2)CC1 1690112331 VMTYSEJCFOLGCJ-RXVVDRJESA-N 459.978 2.632 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC[S@](=O)CC)CC1 1690113349 HHQLEWLYBKIRHG-MGBGTMOVSA-N 464.639 2.876 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CS(C)(=O)=O)CC1 1690188998 SFLVANYHGVOSCZ-HSZRJFAPSA-N 469.611 2.964 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CN2CCOCC2)CC1 1690227508 ASMSKQKKQAXGEU-SFHVURJKSA-N 454.413 2.977 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1690309792 KRURFSGLWPQBMP-FQEVSTJZSA-N 467.574 2.612 30 10 JFEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCc2ccccc2F)CC1 1690327915 AQGTZTXNHSNZEK-OAHLLOKOSA-N 471.986 2.966 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690405093 ZYPDICQSVJECLK-NRFANRHFSA-N 466.991 2.559 30 10 JFEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690460624 LKCZXSLIVXIHQX-UHFFFAOYSA-N 466.634 2.908 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1690563177 JAQGTCFRWWSKBV-UHFFFAOYSA-N 467.595 2.781 30 10 JFEE C=CCNC(=O)Cn1c(N2CCc3cc(Br)ccc3C2)nnc1[C@@]1(OCC)CCOC1 1690676991 KHQDRAPWEVBVHW-JOCHJYFZSA-N 490.402 2.558 30 10 JFEE C=CCNC(=O)Cn1c(N2CCC[C@H](OCC3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677313 UIHUOKZGUZFJPE-ZCNNSNEGSA-N 488.633 2.746 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN([C@@H](C)c3nc(C)no3)CC2)cc1 1690678120 LORRKSNCNKBQSC-SFHVURJKSA-N 494.600 2.604 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1691003013 AOTQHNPEQBWAPX-HMXCVIKNSA-N 456.616 2.613 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)Cc1ccccc1 1692210143 DCWZZCIBIJFIMF-UHFFFAOYSA-N 493.637 2.685 30 10 JFEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)C1CCCC1 1696811192 GSWYBHJTICKMQX-OAQYLSRUSA-N 499.685 2.799 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCN(CC)CC1 1705479399 IHIZAYVYIXQWGJ-GOSISDBHSA-N 476.467 2.922 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705489002 INTLJJIJPRMKHH-HOTGVXAUSA-N 483.564 2.580 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1705505772 NOAAXNRXRDYTQF-ACRUOGEOSA-N 473.666 2.834 30 10 JFEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1705570595 RSBVXRIDDZPKJO-QGZVFWFLSA-N 450.511 2.507 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCN(CC)CC1 1705601566 NKYGPMCJCFERJA-DEOSSOPVSA-N 462.642 2.963 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2nc(C)cs2)CC1 1705642088 GMAADRXAUHUTBX-INIZCTEOSA-N 469.640 2.593 30 10 JFEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705665727 BXIXMNOHHGZPAO-QFIPXVFZSA-N 469.655 2.999 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1705714339 NEAJZRLPMBGKNL-IBGZPJMESA-N 465.602 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10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1690570188 ZBDMHMLYLMMNFD-GHTZIAJQSA-N 456.566 2.529 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCSC1 1690724690 UOGZPXYOPNIYRQ-SFHVURJKSA-N 499.703 2.935 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1693932175 DCELQCATKOZCPT-PIBDYAPNSA-N 452.603 2.772 30 10 JFEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN(C)C(=O)OC(C)(C)C)CCOC1 1696025680 AVZRPYRBDNVXLT-HTAPYJJXSA-N 450.584 2.926 30 10 JFEE COc1ccc(Br)cc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1 1697322543 FHVZIUODRCVNQB-IBGZPJMESA-N 460.311 2.940 30 10 JFEE COc1ccc(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)C[C@@H](C)C#N)c(OC)n1 1697445592 HYFVRKZCFBDYBX-HNNXBMFYSA-N 450.499 2.773 30 10 JFEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN(CC(C)C)C1 1705546308 HQYONDLUJSJXDK-HXUWFJFHSA-N 471.675 2.984 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1705569471 CZRVJHBGHXYDNP-INIZCTEOSA-N 467.364 2.543 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1705570642 RYEXJUWFXCYVFF-JOCHJYFZSA-N 467.570 2.581 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCN2CCC)CC1 1705634063 ICPDIABZDXRGKD-JOCHJYFZSA-N 466.630 2.982 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccccc2C)CC1 1705645556 XSAOGLDVVOHRRR-HHHXNRCGSA-N 479.625 2.836 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1705675096 XSBDSDWADMENBM-NPFVIJTESA-N 463.003 2.733 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCCOC)CC1 1705695693 JXMRPASNMPYPRM-TZIWHRDSSA-N 489.020 2.954 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705710342 LHDDJMOPCINRSE-ZWKOTPCHSA-N 484.667 2.938 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1705775676 JACOHHQSMKQYDE-UHFFFAOYSA-N 493.656 2.948 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705814381 NHVQKWFVXGRDOD-UHFFFAOYSA-N 457.600 2.764 30 10 JFEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705832416 WXYUNKJHHOYDRW-FQEVSTJZSA-N 457.600 2.887 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705890309 IXGZRVMLSDDCTA-UHFFFAOYSA-N 454.579 2.695 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705911071 XOXLBSOJITUNJD-HSZRJFAPSA-N 495.672 2.634 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1705918679 OBVQCWJZRICMHB-CTNGQTDRSA-N 450.518 2.605 30 10 JFEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705942065 GVMHMNATJWZXLF-CQSZACIVSA-N 493.431 2.849 30 10 JFEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705942988 KWZKKXHHAKNOFT-UHFFFAOYSA-N 479.610 2.554 30 10 JFEE CC(C)N(C)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706557004 GERGTPYOSQXDDG-LJQANCHMSA-N 493.591 2.713 30 10 JFEE C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1706794449 APLHUUSSUBGTPT-IECBHUPTSA-N 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2282001211 YBWRYLFMSFZHEX-WOJBJXKFSA-N 452.360 2.793 30 10 JFEE C[C@H]1CN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2282037661 YHUHMOSKSWCJJK-UONOGXRCSA-N 482.818 2.606 30 10 JFEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2282039974 CJHCMXFZUWGSEF-CQSZACIVSA-N 482.818 2.844 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3F)[C@@H]2C1 2282396227 WUPXZHCSOQXYFH-ROUUACIJSA-N 460.355 2.968 30 10 JFEE Cc1ccnc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2282566789 DPIWLGSUIQTMHQ-UHFFFAOYSA-N 457.380 2.915 30 10 JFEE Cc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282594296 CQOHRRPAWKSDGC-HXUWFJFHSA-N 452.408 2.812 30 10 JFEE Cn1nc(C(=O)NC2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282611395 KRQDROUYKBTWKH-UHFFFAOYSA-N 462.400 2.675 30 10 JFEE C[C@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2282629599 XXEPZLBMXILXDX-HOTGVXAUSA-N 460.384 2.541 30 10 JFEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2282682886 VMZSSLPQKLYIIU-INIZCTEOSA-N 459.396 2.844 30 10 JFEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282860243 XQZHUHQIAQRDDM-HNNXBMFYSA-N 494.341 2.720 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C1CC(F)(F)C1 2283926285 LOPMTDWZFSMHRL-AWEZNQCLSA-N 487.378 2.997 30 10 JFEE CO[C@H]1C[C@H](C(=O)NCc2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2283972564 RZZGUTJMAZMASH-DOTOQJQBSA-N 480.436 2.996 30 10 JFEE C[C@H](NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283978958 IKGTUNSIKJBSKU-INIZCTEOSA-N 460.380 2.799 30 10 JFEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2284011197 KTBWLMCUHQKZBI-GOSISDBHSA-N 460.380 2.805 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)s1 2284022829 NMMWSTRPMMBSDA-WBVHZDCISA-N 480.436 2.902 30 10 JFEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284429615 HQHGOKWTAMSZLQ-RDTXWAMCSA-N 474.750 2.823 30 10 JFEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 2285215591 WMXDCFHFYPBCSX-IRXDYDNUSA-N 477.436 2.770 30 10 JFEE COCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccccc1C(=O)O 2331612483 CWJVTXZKTJSXQF-OAHLLOKOSA-N 453.524 2.974 30 10 JFEE CN(CCC#N)C(=O)C[S@@](=O)c1cc(I)ccc1Br 2338307984 UWBUFESQPJNLHL-LJQANCHMSA-N 455.115 2.533 30 10 JFEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2339395505 DSHDSMYUYLZKCI-NRFANRHFSA-N 467.759 2.592 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(=O)O 2341927815 BCZPCBNOSUSWRD-QGZVFWFLSA-N 459.373 2.958 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)CC1 2362357282 XTYYAJGIWQKYIA-UHFFFAOYSA-N 462.400 2.581 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C 2362357660 PQCLYCDMGYUSSP-INIZCTEOSA-N 462.400 2.629 30 10 JFEE C[C@@H](C#CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1)NC(=O)OC(C)(C)C 2366933342 UXUDYYYACMWFPI-KRWDZBQOSA-N 454.376 2.787 30 10 JFEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)c(Cl)c2)OC1(C)C 2369621028 IXBBKNVEDLDBEH-IBGZPJMESA-N 495.834 2.885 30 10 JFEE CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=CC(=O)CC(C)(C)O2)CC1 14999294 XBFRATPYBPBHGO-HSZRJFAPSA-N 478.593 2.994 30 10 JFEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C\C=C/c1ccccc1)n2C[C@H](O)COc1ccc(Cl)cc1 17729828 SJYGYJDAWBKZTL-SPFDFUFQSA-N 494.939 2.628 30 10 JFEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3cccc(C(F)(F)F)c3)n[nH]2)cn1 59886736 NDKPQMULVQGWJL-PGGKNCGUSA-N 482.492 2.521 30 10 JFEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c(C)n1 102753362 MTTHNNIOCQGJJG-LCPUNJGISA-N 456.930 2.501 30 10 JFEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2cc(OC)ccc2OC)cc1 103126835 MTWHSPAEJRKCAE-RKKARLDVSA-N 471.506 2.533 30 10 JFEE C=CCn1c(=S)[nH]c2cc(C(=O)N3CCN(Cc4nccn4C(F)F)CC3)ccc2c1=O 195726556 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WBKLZKCHBHTDQD-UHFFFAOYSA-N 463.612 2.582 30 10 JFEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccc(OC)cc3C)n2N)cc1 1084530409 PLRASIBQZLBUIZ-UHFFFAOYSA-N 483.554 2.662 30 10 JFEE Nn1c(NN=Cc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084539309 KJWCUNOXCFNCGY-UHFFFAOYSA-N 491.331 2.839 30 10 JFEE COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)OC)cc2)SC1=Nc1ccccc1 1084581128 SZHXNCGBQMOLCI-QGZVFWFLSA-N 455.492 2.607 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCN1CC 1286294830 FRDYJIWGADUGMZ-UFYCRDLUSA-N 460.623 2.919 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286349280 HAXWGZCDMIJIGX-AZUAARDMSA-N 461.588 2.521 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286353477 XNJACDPNPLSHCE-PBQROFAYSA-N 489.617 2.773 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286395242 MDWFUJAEUNYQAA-NHCUHLMSSA-N 472.611 2.527 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC(=O)N1CCOCC1 1286420183 NJKHRRCXHMSJIC-JOCHJYFZSA-N 463.582 2.747 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(=O)(=O)CC 1286422083 VOHYJQDAMAAAAQ-KRWDZBQOSA-N 459.641 2.534 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286429160 SCJQHLNMHHEXFN-AKIFATBCSA-N 490.608 2.751 30 10 JFEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCN(C(C)C)CC1 1286436213 XCQBUMNOFYNZBL-UHFFFAOYSA-N 473.021 2.556 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C(C)C)N2CCCC2)CC1 1286482464 RNZVFLJJEWLTRY-QHCPKHFHSA-N 450.631 2.753 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](CC)N2CCCC2)CC1 1286485647 SKMBDWAHARPDQE-YADHBBJMSA-N 485.677 2.980 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCCCC2)CC1 1286491124 GHUCRGPKRUHQIQ-UHFFFAOYSA-N 478.641 2.719 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1286562282 JUTDRJFGFLKDRN-HBMCJLEFSA-N 458.651 2.690 30 10 JFEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOCC)CC1 1286592147 MTNFUAXCMIHYCS-UHFFFAOYSA-N 479.585 2.929 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1286609311 ZUDODKQABVCWGD-FCHUYYIVSA-N 479.691 2.865 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3cccc(O)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1286614159 MRIGDTFYWMWIKB-XMMPIXPASA-N 457.575 2.555 30 10 JFEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)N2CCSCC2)CC1 1286664492 YDUUBLUYPDLEHE-UHFFFAOYSA-N 495.646 2.777 30 10 JFEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286770606 QUOJRPGHFLWRHY-UHFFFAOYSA-N 493.515 2.753 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccsc1Br 1286772937 GVIBXCNPBYLXRQ-CQSZACIVSA-N 475.434 2.691 30 10 JFEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1286785361 DMPSHKYMQRPKSM-UHFFFAOYSA-N 466.586 2.943 30 10 JFEE CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1293796783 GBFUQVLNJQLKMV-RUZDIDTESA-N 465.602 2.654 30 10 JFEE Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 1299858612 JMXITTBAVPSCIR-INIZCTEOSA-N 454.298 2.967 30 10 JFEE C#CCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300425741 WJMZQTNZPNAUSO-KDURUIRLSA-N 466.590 2.579 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNc1ccccn1 1300579720 YUDWYAQBAXUFMN-NRFANRHFSA-N 493.612 2.947 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1300654111 UIOBLKVTLRHBOC-RRQZXNHTSA-N 454.571 2.949 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@@H]2C)CC1 1300700107 LXTVCIURILVFAN-HBMCJLEFSA-N 472.634 2.778 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOC(F)F)CC1 1300710589 HVMMFJVRMUHBDG-KRWDZBQOSA-N 468.549 2.735 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1300728633 CGMNQCPVMHSTCY-HXUWFJFHSA-N 494.640 2.942 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CC=CCO2)CC1 1300730977 JABMUXZONZYJOB-QFIPXVFZSA-N 463.582 2.730 30 10 JFEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(Cn2cncn2)CC1 1300823345 DBHMGVCFKZWEKD-UHFFFAOYSA-N 465.400 2.613 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1300907378 HOSYORPNEHHZDZ-LNVKXUELSA-N 464.526 2.645 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1300927504 IHQGGUAZGRVVLN-XNHLSEOASA-N 482.651 2.831 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=C(COC)CC1 1301019068 FCEZXDYGHDPQQK-UHFFFAOYSA-N 451.980 2.731 30 10 JFEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301030066 DIPMRONPFJYOPW-UHFFFAOYSA-N 495.809 2.633 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCCCC2)CC1 1301124152 GKQQHBCIKKHZIN-OAQYLSRUSA-N 481.663 2.753 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1)C(C)C 1301366485 CSVXUXYAKAPHEP-TZBSWOFLSA-N 491.702 2.886 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2CCCC[C@@H]2C1 1301493466 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C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1 1722533173 KFSGZFBVZVRIJC-NRFANRHFSA-N 492.665 2.957 30 10 JFEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1722580373 QWBKRWADBFZNDN-UHFFFAOYSA-N 472.640 2.926 30 10 JFEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC(NS(C)(=O)=O)CC1 1722627625 ZYIJWKDUSMTHEQ-UHFFFAOYSA-N 453.996 2.709 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1)C1CC1 1722651707 YOFLYJUOWXWFLO-FXAWDEMLSA-N 477.656 2.947 30 10 JFEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1722682861 OBJBNRGFUBRBIQ-GJZGRUSLSA-N 450.634 2.794 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@H](COC)C1 1722694074 KSAILESMTPXGQA-BQFCYCMXSA-N 459.616 2.674 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCSC2)C1 1722723825 GLLOVQNVCHLYRS-SFHVURJKSA-N 486.461 2.970 30 10 JFEE C[C@]1(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1724042865 GGCNVCVCKZXRGS-YLJYHZDGSA-N 462.348 2.917 30 10 JFEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)c1C 1724062376 AAPBRZJQCPYDNT-RTBURBONSA-N 475.615 2.977 30 10 JFEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H](c2ccccc2)N2CCOCC2)n1 1725927132 GCFRJXNMJGYDAX-AUSIDOKSSA-N 462.602 2.809 30 10 JFEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCc2nc(C(F)(F)F)cs2)n1 1726135758 BNLRZPAGJNSHES-CQSZACIVSA-N 466.493 2.587 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(=O)N1CCOCC1 1740555956 DWZGHEDZZMZLIC-HNNXBMFYSA-N 466.369 2.871 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCCO[C@H](C)C1 1740632376 IRFHVSHXXPXJMS-GOSISDBHSA-N 473.419 2.620 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC(F)(F)F 1740655939 GORVILHSPHLAKA-UHFFFAOYSA-N 461.492 2.842 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@H](F)C1 1740676824 AJOJXFNCSQDCSB-IEZWGBDMSA-N 451.543 2.805 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1noc2c1CCCC2 1740681052 AWUOYNSXEFSABH-UHFFFAOYSA-N 451.527 2.963 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCOC[C@H]2CCCO2)CC1 1740692130 SHZIOIOENZCKQV-HXUWFJFHSA-N 474.005 2.948 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2nc3cccc(Cl)c3n2C)CC1 1740702978 ZPOIDUSYKKBTEW-UHFFFAOYSA-N 453.978 2.956 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2csc(C)c2)CC1 1740708141 DCBPBBIKPAHTSK-UHFFFAOYSA-N 482.635 2.654 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740759362 BKPZCDSNXBLJGU-HOJAQTOUSA-N 458.607 2.615 30 10 JFEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1740928106 UPHZKCKSKRPRRK-UHFFFAOYSA-N 466.405 2.922 30 10 JFEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740943263 BWRIFNHMTLWINX-OALUTQOASA-N 456.566 2.876 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740950409 MHIWKGFQEWLHBH-UZUQRXQVSA-N 463.579 2.547 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(CC(F)(F)F)CC1 1740955584 YTKDSYHRQZXKNX-UHFFFAOYSA-N 496.534 2.727 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740956625 WBHAHLRJLFEMII-INIZCTEOSA-N 490.402 2.784 30 10 JFEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)o1 1744450287 AEYABTBJGBEBKC-UHFFFAOYSA-N 483.598 2.584 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1748692500 YBOYXIGIILWUPD-SFTDATJTSA-N 489.624 2.839 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1748758967 ARJPISKTZVVHKW-UHFFFAOYSA-N 468.543 2.629 30 10 JFEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1748759649 MBAIHYPAOORKSM-WIOPSUGQSA-N 478.641 2.958 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1748789953 CSNUZJWPJOKWQY-KRWDZBQOSA-N 459.572 2.645 30 10 JFEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1748805755 VRIORIXFYCCYNY-LORHWOILSA-N 450.511 2.714 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748809303 RPLRZIBJFYIPBI-FQEVSTJZSA-N 490.029 2.628 30 10 JFEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748819051 JMJZGMCHAHPICR-IPMKNSEASA-N 492.592 2.979 30 10 JFEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCNS(C)(=O)=O)CC1 1748979269 WYYGYAZYNLCRMY-UHFFFAOYSA-N 493.058 2.508 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)c2ccsc2)CC1 1748999841 HMMRVXPBCVKWDA-XMMPIXPASA-N 467.595 2.590 30 10 JFEE C#CCSCCn1c(N2CCN([C@@H](C)c3nccs3)CC2)nnc1[C@]1(OCC)CCOC1 1749047611 ASHXYZVMQPIXFL-AVRDEDQJSA-N 476.672 2.636 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1749140549 QRGHUTVWUJVWTK-ICSRJNTNSA-N 452.607 2.797 30 10 JFEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749222210 CPGFIZSFKMFZJS-RDPSFJRHSA-N 481.645 2.620 30 10 JFEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1749454391 DNKQADULXHIVRI-UHFFFAOYSA-N 463.590 2.876 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1)C(C)C 1749557663 LPSUHESCFYXGOA-DHIUTWEWSA-N 485.677 2.818 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749677803 LFXPVYUZYHKEFT-UHFFFAOYSA-N 475.597 2.800 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2CCOC2)CC1 1749729353 HLOHZUQKVWAYCX-LJQANCHMSA-N 460.600 2.807 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1749731701 IQXLILXTEWGUBL-OALUTQOASA-N 477.606 2.627 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1749740733 JDYUZOPQQJZQID-QESAQDPVSA-N 474.627 2.985 30 10 JFEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760133787 PTTYNVBPDPWRAW-KRWDZBQOSA-N 478.366 2.992 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1760185229 SQIQABMKEQXHNX-SFHVURJKSA-N 473.986 2.621 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760190982 YOQNRJFYHDRPCL-FUPPJEDESA-N 498.697 2.647 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)CC1 1760256128 DCAZVJDLYDINOX-GOSISDBHSA-N 492.045 2.652 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@H]2OC)CC1 1760258844 CRHMJFHNQQHIND-BHDDXSALSA-N 486.661 2.963 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C)cc2OCCOC)CC1 1760268662 VHUZXJZZBKFKJA-UHFFFAOYSA-N 476.581 2.621 30 10 JFEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1760396960 LYZOHIRUWBCBBQ-DOTOQJQBSA-N 470.640 2.594 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760431944 CZHYNPNTTQYNEH-HZPDHXFCSA-N 451.597 2.745 30 10 JFEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760489652 XYAHNVKDKHKKBC-CVDCTZTESA-N 460.600 2.763 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760515422 DXIADANQZBBGSH-RTBURBONSA-N 489.020 2.532 30 10 JFEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1760531623 UXMAHPTYKQBFGQ-UHFFFAOYSA-N 459.616 2.706 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cnnn2C)C1 1760538091 BMZHYOTXQHDHQX-KRWDZBQOSA-N 458.364 2.974 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CCC)C(=O)OC(C)(C)C)C1 1760542591 IPDKHYKXTZUVRX-MOPGFXCFSA-N 497.662 2.609 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(C)C)CC1 1760550940 OLOJRRNIMVKNKB-UHFFFAOYSA-N 485.452 2.603 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1760562467 KLWZQVLTMFFKTL-UHFFFAOYSA-N 488.614 2.909 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC(C)C)nc2)cc1OC 1768530177 AQGPQDLSRKYYGG-IBGZPJMESA-N 464.526 2.922 30 10 JFEE COCCN([C@H](C#N)c1cccc(Br)c1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 1857960571 NANGIBVWDDQYKQ-QGZVFWFLSA-N 480.340 2.796 30 10 JFEE CC[C@H](NC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)O 1858788510 GYTLZMMVYGWGPF-AWEZNQCLSA-N 457.512 2.896 30 10 JFEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc(O)c1 1862596726 OIKCQXYJCIJPAA-IBGZPJMESA-N 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VNWACVZPFSTEFZ-UHFFFAOYSA-N 452.584 2.672 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539211253 JSRPDYWLGUNWLB-UNMCSNQZSA-N 479.606 2.820 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1539556909 JXMSWXBSWVYCFI-CJFMBICVSA-N 481.601 2.920 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1539666400 YHRXSEADUDTSAG-UHFFFAOYSA-N 472.615 2.808 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539686028 BYMJPNABHNRDBO-UZLBHIALSA-N 490.450 2.611 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539693769 YQTCPMXJRIWIAM-GOSISDBHSA-N 480.573 2.849 30 10 JFEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539715930 KYUPTGBATBQUEB-DEOSSOPVSA-N 468.646 2.973 30 10 JFEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1539832233 RRYNHIAKDQZHLU-OALUTQOASA-N 456.595 2.659 30 10 JFEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(NC(C)=O)nc2)CC1 1539855796 HJBLYAMIZRFULD-UHFFFAOYSA-N 451.556 2.828 30 10 JFEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539989371 VMSIFXFTPUCONZ-UHFFFAOYSA-N 458.994 2.974 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1540152494 WEXRLDUUIURZHP-BPYKYCOYSA-N 456.635 2.587 30 10 JFEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540875799 YFDBDGUXCUPHTC-QGZVFWFLSA-N 477.034 2.831 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540906812 CGHOQCYJGLBHMK-CTNGQTDRSA-N 462.616 2.936 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCSC[C@@H]1C 1540908010 ARYMBYOLNKOSSE-KRWDZBQOSA-N 450.630 2.962 30 10 JFEE COc1ccc(Cn2c([C@H]3COc4ccccc4O3)nnc2N(C)C[C@H](C)C#N)c(OC)n1 1554939660 CEMIBCZSYJDJMI-DNVCBOLYSA-N 450.499 2.847 30 10 JFEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1555524158 CUDHCAWUQSGQRT-HXUWFJFHSA-N 467.599 2.738 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NCC3(CN4CCOCC4)CCCCC3)ccc2c1=O 1587844464 JTVFLZAWBVFLKO-UHFFFAOYSA-N 456.612 2.884 30 10 JFEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1587847856 VEJXYSCKEOFGHZ-QGZVFWFLSA-N 470.599 2.519 30 10 JFEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1588034848 MKDZFOYJRQITHN-HNNXBMFYSA-N 499.406 2.898 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588065064 SRUWVGSHDNTDLX-WBVHZDCISA-N 461.638 2.817 30 10 JFEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1588162034 GRZYCKJMORXCDU-UHFFFAOYSA-N 470.577 2.827 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1588166281 CHSHOMJVJFJBDC-IBGZPJMESA-N 454.531 2.606 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1ccnn1 1588229520 XTIZLRDBTTUWAG-UHFFFAOYSA-N 466.590 2.537 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN(C(C)C)C1 1588646069 GQARJBHFYXOBSA-QFIPXVFZSA-N 480.661 2.659 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCc1nnc(C)s1 1588647788 YNTPNDLBPVJESL-LJQANCHMSA-N 454.556 2.669 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1588871475 FEPCMCSFLNJAHW-GBXCKJPGSA-N 451.571 2.602 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1588872021 VTGVCPLZSIBVOR-XMMPIXPASA-N 467.595 2.590 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2oc(CC)nc2C)CC1 1588908632 UCTYVFDGMWXRSS-UHFFFAOYSA-N 467.961 2.866 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1588955466 YECJDLBDHOUVQF-NZQKXSOJSA-N 464.614 2.825 30 10 JFEE C#CCSCCn1c(N(C)Cc2nc(O)c3ccccc3n2)nnc1[C@]1(OCC)CCOC1 1589124828 BTZGMUKSBGIMBS-QHCPKHFHSA-N 468.583 2.582 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1593636133 HRJZQYZHEIVPJZ-IBGZPJMESA-N 469.558 2.882 30 10 JFEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1593659780 AQONCAUWSOGRLN-UHFFFAOYSA-N 457.966 2.880 30 10 JFEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F)C1CC1 1595054353 HQRZZSLWHTWCGP-HNNXBMFYSA-N 468.549 2.929 30 10 JFEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1595218034 FOZHVWORLUMUIJ-OALUTQOASA-N 463.579 2.570 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1595303016 KBFLAXCIUWGLQS-HXUWFJFHSA-N 472.590 2.977 30 10 JFEE C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1612749425 BGEFSFKDPDIEOW-NIYFSFCBSA-N 495.628 2.910 30 10 JFEE C=CCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc(OC)c1OC 1634375460 VMVHXPKBVYYSQC-QFIPXVFZSA-N 451.567 2.547 30 10 JFEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)Nc1sc(C)c(C)c1C#N 1641921222 IFHFYRATABYPLK-INIZCTEOSA-N 450.561 2.660 30 10 JFEE C=CC[S@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 1646626087 SOCBSQPZMYEZKZ-RUZDIDTESA-N 457.371 2.967 30 10 JFEE C#CCn1ccc(CN(CC)S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)n1 1655207357 KBFRWIKRRJWIPY-UHFFFAOYSA-N 458.584 2.717 30 10 JFEE CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1679964631 BYONNZGQIZKREB-MKWUPHBFSA-N 454.600 2.860 30 10 JFEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1681805471 PLROUKANKSUCTL-UHFFFAOYSA-N 459.568 2.927 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccccn2)c1 1689870667 WCZDMBDAPURUSX-HXUWFJFHSA-N 471.565 2.658 30 10 JFEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1689879979 NRUUYMABHYWCPS-HXUWFJFHSA-N 469.611 2.743 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689991153 XAARMDTVZLFZBZ-HXUWFJFHSA-N 472.611 2.822 30 10 JFEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689993725 KKKKIFOJPFRUSF-IFMALSPDSA-N 486.638 2.514 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1690091031 HNVOZBIMUCZEQZ-UHFFFAOYSA-N 495.628 2.577 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1690206662 WUGCZVWRADXMBH-QMHWCDLVSA-N 489.667 2.784 30 10 JFEE C=C(Br)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCOC1 1690232015 WCWZCSUJZYWEDZ-FQEVSTJZSA-N 475.435 2.777 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1690299015 AXDDGFMIDFKLAW-SFHVURJKSA-N 450.547 2.636 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ncc(CC)s1 1690662273 XAILMOKXVHXVPV-UHFFFAOYSA-N 464.393 2.993 30 10 JFEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1690672371 PZUZDPQQPQUCIG-INIZCTEOSA-N 455.513 2.567 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnn(C)c2C)C1 1690684337 DHUOJHLBEBGEDO-HXUWFJFHSA-N 469.977 2.733 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1690685137 WIEFMFPTUGGPEE-DVECYGJZSA-N 456.543 2.543 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC(C)(C)C1 1691001259 FZBLWMKBCWGSJX-SFHVURJKSA-N 462.602 2.910 30 10 JFEE Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)oc2ccc(F)cc12 1692939256 HEAOFTXMPYRRHK-CQSZACIVSA-N 460.535 2.870 30 10 JFEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1695611038 FEHJYCUFYDMWFF-REWPJTCUSA-N 451.619 2.706 30 10 JFEE CN(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1Cl 1696599506 GODABQIOCDZSGT-XLIONFOSSA-N 477.034 2.876 30 10 JFEE CO[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1697173235 BTQDGXSNDFSGGO-QFIPXVFZSA-N 480.592 2.919 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)CC1CC1 1705486089 WOIHDTSOQPKEGJ-CQSZACIVSA-N 481.416 2.999 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705490739 PSQSGNFTSNKIQP-KURKYZTESA-N 463.586 2.940 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)noc2C)c1 1705503675 BGPCNIRSSHKBKR-UHFFFAOYSA-N 484.520 2.635 30 10 JFEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)C(C)(C)C 1705552464 LCYITQOEWRXYIS-KRWDZBQOSA-N 467.636 2.675 30 10 JFEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563816 GCUCDYBMVWFCOO-QGZVFWFLSA-N 478.615 2.623 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1705565412 ICXFCUCWOPRLED-HXUWFJFHSA-N 474.627 2.833 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1705590493 MUTDHQQSSIRIQB-DVECYGJZSA-N 459.591 2.554 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOC1=O 1705613446 ZWYRNBNLAXXZDD-UHFFFAOYSA-N 460.579 2.694 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1705619115 HSQPGNIMEDYKLS-GFCCVEGCSA-N 494.337 2.655 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)cc2OCC)CC1 1705642366 QXYUAWLPVLTBGW-UHFFFAOYSA-N 478.622 2.780 30 10 JFEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1705658272 KLEGOTIUIFJVQL-UHFFFAOYSA-N 470.647 2.646 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(CC)ns2)CC1 1705693977 MRVVLNXBHXBBRV-HOCLYGCPSA-N 498.451 2.651 30 10 JFEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705757936 DEMXINMLXJQGDL-UHFFFAOYSA-N 473.006 2.756 30 10 JFEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)(C)C)CC1 1705830364 NRNXKLFIYCYURA-UHFFFAOYSA-N 468.650 2.965 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccc(C)cc1 1705842526 PKVRCTMJRNZWDV-UHFFFAOYSA-N 460.586 2.813 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1)C(C)C 1705867772 VMOVZUSDMRSJFQ-ZWKOTPCHSA-N 484.567 2.821 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1705869378 SUUUYBQRPNLBAN-UHFFFAOYSA-N 450.587 2.886 30 10 JFEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(c2ncccn2)CC1 1705906811 PSJNRUSDROLWLW-UHFFFAOYSA-N 490.612 2.708 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705947112 AABNTITUCWWGPR-UHFFFAOYSA-N 467.599 2.878 30 10 JFEE C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1706794450 APLHUUSSUBGTPT-IMWIBFENSA-N 491.612 2.555 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CCCO1 1708234006 FUZATSDXESEEAR-LJQANCHMSA-N 452.559 2.747 30 10 JFEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 1711437540 BCOGRVJAJYUECQ-PKOBYXMFSA-N 473.624 2.967 30 10 JFEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H]2OC)n1 1712343363 CWZBEWBQMXHJSU-MOPGFXCFSA-N 451.531 2.840 30 10 JFEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H](C)O1 1712850873 GJAHHODTKFXQPQ-BGYRXZFFSA-N 474.613 2.871 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)c1 1722304618 AWLVGUKDEJEYLY-FQEVSTJZSA-N 474.556 2.814 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722358332 AJKZQFFXWGDTMQ-OALUTQOASA-N 464.538 2.558 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1722358709 LCQVTWOLABWXAB-KRWDZBQOSA-N 452.527 2.872 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1CCCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722362695 VVZQOPQGNMSYCO-FQEVSTJZSA-N 480.594 2.529 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722368583 SDDGGQQEAVZLJS-MJGOQNOKSA-N 464.538 2.591 30 10 JFEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722453065 NXMVVNCBPVIOOB-XMMPIXPASA-N 455.628 2.969 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722469262 XTIWNRNKKWOBDG-YENTXNKWSA-N 459.635 2.810 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 1722495523 HQFJYVICEIBGGT-AVRDEDQJSA-N 473.021 2.838 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1722501917 HDWJQTGHQHAGRR-FYYLOGMGSA-N 452.603 2.896 30 10 JFEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1722578414 LFEGOSSXMQJCNO-UHFFFAOYSA-N 456.572 2.564 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722693702 XVBJIAXMTWTHEF-UHFFFAOYSA-N 496.612 2.636 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(CC)c2)C1 1722718945 OWZFZDMVZWIMFG-WOJBJXKFSA-N 487.605 2.633 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)C1 1722753572 DQIHVZCCCADBCU-LJQANCHMSA-N 467.574 2.646 30 10 JFEE C/C(=C/c1ccccc1)CN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1722786677 XRPOURAFFLAXSI-OUXYTQOJSA-N 470.537 2.801 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCc2ccccc2C1 1727228833 AZJUGXJELICINH-JOCHJYFZSA-N 479.629 2.762 30 10 JFEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1727888282 HEWBQNMZHKYHNU-DHUJRADRSA-N 498.653 2.915 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)N1CCCCCC1 1729066378 CLWXUFOPKQXRPJ-UHFFFAOYSA-N 483.592 2.945 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1729066381 COKSULTXLYSSQO-CJFMBICVSA-N 466.634 2.918 30 10 JFEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740573520 DXNLLEPLKNVCGQ-TZIWHRDSSA-N 458.584 2.570 30 10 JFEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740580831 JJJVXPULEGLDGY-QFIPXVFZSA-N 496.015 2.994 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740589972 HDZHQVNAHULNOL-YADARESESA-N 491.658 2.821 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1cccs1 1740611174 VUWPEMJWCFJPOF-KSFYIVLOSA-N 461.588 2.625 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1740618425 HKSUNTWCOHHXQE-QHCPKHFHSA-N 497.665 2.927 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1740624254 HCBGECMFUBCPKP-XZOQPEGZSA-N 495.653 2.601 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740634669 HCHBVGLDYASOQK-SFHVURJKSA-N 450.905 2.550 30 10 JFEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCCC2=O)c1 1740648234 DRESKPMGOFUDTK-MHZLTWQESA-N 475.593 2.957 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1740694063 XGYIBLVVCQNNBI-UHFFFAOYSA-N 456.476 2.621 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccs2)N(C)C)CC1 1740705994 ONAKFRJVTXOZEP-WOJBJXKFSA-N 470.643 2.850 30 10 JFEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740714674 GZYFHXFZPIQYKS-UHFFFAOYSA-N 466.586 2.680 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1OCCOC 1740725540 NFNFSPJKFXKEFB-JWQCQUIFSA-N 454.571 2.996 30 10 JFEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740804638 CGEJLJPFOJNTKG-UHFFFAOYSA-N 493.939 2.842 30 10 JFEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1740883694 CQLYNHBILARMGH-UHFFFAOYSA-N 458.588 2.528 30 10 JFEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740946994 MMUIVVXZQNFZNK-INIZCTEOSA-N 450.513 2.711 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1740952998 SMSMYUVVLFQLAK-HOTGVXAUSA-N 461.950 2.763 30 10 JFEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1740957785 AQBYFIAENLMBIF-LJQANCHMSA-N 450.587 2.884 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nncn2C)C1 1740973980 AJOQHJVTTXOJCS-AWEZNQCLSA-N 462.327 2.805 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(CCO)Cc2ccc(Br)s2)nnc1C(C)(C)C 1740994987 ZIYIIHWTPVGYJX-UHFFFAOYSA-N 491.477 2.999 30 10 JFEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1741310622 BMHWWAIOEKNDLP-RTBURBONSA-N 467.574 2.678 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3Cc3ncccc3N(C)C)CC2)c1C#N 1742668588 DEAYDVQIXPQQNF-UHFFFAOYSA-N 476.633 2.616 30 10 JFEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)OC 1743518763 HZLDGIPDRINDDZ-NYVOZVTQSA-N 486.642 2.882 30 10 JFEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C 1746375565 HOSXJCJGMJQJAP-DPLHUUCSSA-N 492.672 2.678 30 10 JFEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1747528497 AXHSWIDZBZVRSB-UHFFFAOYSA-N 476.585 2.710 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1748665472 RASBJTVYPFWDAH-GOSISDBHSA-N 471.565 2.924 30 10 JFEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748732235 WSHFJFVCGMEWQU-IBGZPJMESA-N 456.566 2.617 30 10 JFEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1748809451 SNHYGTIZFWUZTE-FQEVSTJZSA-N 455.971 2.863 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C1CC1)N(C)C 1748864423 WQYPFNPVFNXYPJ-OAQYLSRUSA-N 452.990 2.665 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC1CCN(CCN(C)C)CC1 1748894818 GFQHNAPPBRFYSO-UHFFFAOYSA-N 450.606 2.745 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCCCCC1=O 1748950167 FYDAZCBNJDEHME-UHFFFAOYSA-N 477.407 2.914 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1748984828 SMVGCJGJAHLYJE-NRFANRHFSA-N 496.612 2.632 30 10 JFEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749043687 IVZDHRRZVVPRHO-IBGZPJMESA-N 465.627 2.576 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1749119969 ZBNVXRGYXLZAGF-KHHDVDEJSA-N 489.642 2.872 30 10 JFEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749193939 TXZWGVSNZIYHBV-KRWDZBQOSA-N 478.523 2.533 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCCN1CCOC1=O 1749540905 FLHJFMAPPOLZQH-UHFFFAOYSA-N 456.522 2.688 30 10 JFEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H](O)C1 1749561108 FWEANRVXQJLGOW-ICSRJNTNSA-N 459.616 2.925 30 10 JFEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749640755 BRPPVEBJWMLALN-UHFFFAOYSA-N 498.385 2.626 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1749680716 OTRRALWYMRBPME-SJLPKXTDSA-N 488.564 2.648 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1749712734 LFORSADARBXSQV-ZCNNSNEGSA-N 465.664 2.852 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749735818 AOKIGZMSINPABQ-HXUWFJFHSA-N 474.627 2.610 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1750075583 GIDKKDKZISIPOP-ROUUACIJSA-N 475.590 2.664 30 10 JFEE CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1750595465 GXKKLCWRUTYBLT-HXUWFJFHSA-N 485.658 2.756 30 10 JFEE Cc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)N2CCOCC2)cc1 1751454192 HZKVWIJVBVEEMM-UNMCSNQZSA-N 465.602 2.521 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCCN1CCCO[C@H](C)C1 1752402451 FYWFEKFQMHQLED-LEWJYISDSA-N 495.676 2.744 30 10 JFEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760129341 JXHOQJAQRLXLGY-UHFFFAOYSA-N 463.648 2.938 30 10 JFEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760135276 PKTBQLZRYLHTCZ-HNNXBMFYSA-N 452.481 2.882 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760187847 YFELBQFPQLUGCT-QHAWAJNXSA-N 463.692 2.860 30 10 JFEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1760191050 ZXZDVEXDYVFZSL-JOCHJYFZSA-N 479.606 2.668 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1760193052 RYDPSDABKVKZNJ-HNAYVOBHSA-N 482.965 2.628 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(OC)CCOC2)CC1 1760263904 UGUSRWPHVPZGRL-QFIPXVFZSA-N 462.019 2.785 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 1760280673 HEOFAGHXUYHWDC-MSOLQXFVSA-N 465.620 2.568 30 10 JFEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1760337304 FQHGHVZACISYLC-UHFFFAOYSA-N 468.650 2.965 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760357720 MQHGXTGVQCZZFP-ZWKOTPCHSA-N 478.619 2.663 30 10 JFEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)cc2)CC1 1760389253 GPWBNUHBFXLUAS-LJQANCHMSA-N 466.007 2.664 30 10 JFEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1SC)C1CC1 1760476816 HTTRHHZHMJKEKT-GOSISDBHSA-N 481.619 2.675 30 10 JFEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1760523062 LBXWDUYXZPRCRD-UHFFFAOYSA-N 451.428 2.775 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cccs2)CC1 1760527309 RVCXRWWVLNKQCC-UHFFFAOYSA-N 466.611 2.762 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(=O)N(C)C)C1 1760536756 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CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1C[C@@H]2C[C@@H]2C1 2284063734 PNCWBIUNTURAFJ-BORJPKMPSA-N 477.436 2.998 30 10 JFEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2284475326 VQZLRLBBPYKWFD-XMMPIXPASA-N 470.400 2.815 30 10 JFEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1 2323766259 STGJSLVZZQYNEL-JOCHJYFZSA-N 480.517 2.589 30 10 JFEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cc(Cl)ccc1O 2325918375 JBHLCNFBDSIQIN-INIZCTEOSA-N 484.969 2.613 30 10 JFEE Cc1ccccc1OCCCc1nnc(SCC(N)=O)n1N=Cc1ccccc1C(=O)O 2327082380 NDNXNEQWJMXQNU-UHFFFAOYSA-N 453.524 2.756 30 10 JFEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N[C@@H](C)c2ccccc2)c1 2330793181 IDKKWQHJJIBSJV-INIZCTEOSA-N 466.567 2.775 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2334266837 AXBDXRWXAVKKOT-LZWOXQAQSA-N 484.449 2.581 30 10 JFEE COc1[nH]c(=N[C@@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786052 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494.575 2.755 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1540870860 YPWKZRHQOQLSBS-GUDVDZBRSA-N 476.622 2.699 30 10 JFEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1541970207 GCNQGXLJESJJKK-CVEARBPZSA-N 482.006 2.750 30 10 JFEE N#Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1Br 1544821732 FZSRECCDBCAZTL-UHFFFAOYSA-N 450.314 2.594 30 10 JFEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1547312688 BDTATBLWMPDYLP-KRWDZBQOSA-N 467.574 2.741 30 10 JFEE CCn1ncc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC2CC2)c1C 1548369548 RXLAQABBZGQNIW-FQEVSTJZSA-N 474.487 2.712 30 10 JFEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccccc1 1548372676 TXWONAYRZZEVJR-IBGZPJMESA-N 466.485 2.545 30 10 JFEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1COC[C@@H]1O 1557857725 QKVFKQKTMNTAFN-BDTNDASRSA-N 456.926 2.912 30 10 JFEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4ccc(NS(C)(=O)=O)cc4)CC3)cc21 1563316262 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460.581 2.622 30 10 JFEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)c1 59016885 NKCXRKKFNUXYLJ-UFFVCSGVSA-N 458.500 2.713 30 10 JFEE CCOc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)ccc1O 59039818 XBHORZCISOMKJK-FOKLQQMPSA-N 456.528 2.772 30 10 JFEE CCOC(=O)c1ccc(/N=C(\NC)S[C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 105534188 LAXGQUFSPNWYSQ-QGZVFWFLSA-N 455.492 2.834 30 10 JFEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)nc2c1 248008514 QJCHYWOHHLSXJD-UHFFFAOYSA-N 492.479 2.721 30 10 JFEE O=C(CCCN1C(=O)c2ccc(C(=O)/C=C/c3cccc(F)c3)cc2C1=O)NC1CCNCC1 585830978 LCGKOMMURVOXSK-RMKNXTFCSA-N 463.509 2.966 30 10 JFEE C[C@H](C#N)S(=O)(=O)Nc1cc(I)cc(I)c1 690422499 ROMLEYCMTWKIRR-ZCFIWIBFSA-N 462.050 2.550 30 10 JFEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)CC1 728530498 HYOVQRUXPRMSSI-DMDYGQEQSA-N 486.616 2.507 30 10 JFEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2c(C)nn(C(C)C)c2C)n1N 1083890403 LICDYBPEFUJJOV-UHFFFAOYSA-N 457.564 2.572 30 10 JFEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)Nc3ccc(OC)cc3OC)n[nH]2)cc1 1084359601 ATKCIDOMUWCRHZ-UHFFFAOYSA-N 470.511 2.785 30 10 JFEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 1084491667 GUYJAUAFIICVOL-UHFFFAOYSA-N 496.431 2.976 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1F 1128783386 VWOFVPVRNYAADY-CQSZACIVSA-N 454.545 2.575 30 10 JFEE COc1ccc([C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)c2ccccc2Cl)c(OC)c1 1187504853 ABBAJIFXKCHAMV-FOIQADDNSA-N 451.932 2.505 30 10 JFEE C=CCN(CCc1ccccc1)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1190699676 MDFQHHCDSRKMIJ-UHFFFAOYSA-N 455.624 2.867 30 10 JFEE C=CCNC(=O)c1ccc(NC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 1198691613 FKLXPICWQUORGM-UHFFFAOYSA-N 456.568 2.718 30 10 JFEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCc4ccc(OC(F)F)cn4)CC3)n[nH]2)cc1 1248025137 CJGCIEMUKVETQB-UHFFFAOYSA-N 453.453 2.977 30 10 JFEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCS(=O)(=O)C1 1286382472 AUZXNWPJOITGJW-QGZVFWFLSA-N 481.018 2.942 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1286387970 JHOPBRYWWFJNCN-HNNXBMFYSA-N 465.373 2.678 30 10 JFEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N1CCSCC1 1286423005 PJCZWTNLTYGYQG-UHFFFAOYSA-N 497.690 2.590 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cccc(N2CCOCC2)n1 1286428568 UFSDXHIFUQXOIX-UHFFFAOYSA-N 476.531 2.890 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(O)CC2)CC1 1286487776 IFOIHTFCFGHUJF-INIZCTEOSA-N 457.962 2.562 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286537461 CPKDKBKUDNNJBY-INIZCTEOSA-N 476.441 2.679 30 10 JFEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1286558129 MBNJCVNVFOZRIA-NFBKMPQASA-N 454.619 2.792 30 10 JFEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1286671368 XLTSLUATFBAISP-MRXNPFEDSA-N 450.543 2.794 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CN(C)C(C)C)CC1 1286790037 BIVMEHFYTTUUOQ-JOCHJYFZSA-N 468.602 2.649 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1286794882 BJABEUKSKNNADL-WMZOPIPTSA-N 465.645 2.833 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286815807 AKQJIYAWWHWICT-SFHVURJKSA-N 461.588 2.649 30 10 JFEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)F)CC1 1287050284 HJDVXQQZTQYKCM-UHFFFAOYSA-N 495.575 2.904 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCC[C@@H]1C 1292123666 HNPOUFLGWZFQOP-CCLHPLFOSA-N 493.656 2.941 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CCCC1 1292135743 CKBPXTBJNBXQCX-NRFANRHFSA-N 466.586 2.951 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cc(OC)c(O)cc2Br)c1 1300309653 CGFKOBHAKQRDCR-UHFFFAOYSA-N 452.326 2.890 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300496678 TUNIUNNQMRXGTO-KNQAVFIVSA-N 489.617 2.812 30 10 JFEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300504944 WLNRLQWBMODPLV-MHECFPHRSA-N 490.601 2.564 30 10 JFEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(C)CC1 1300539025 WRYBNWIIBGMELI-JOCHJYFZSA-N 484.645 2.781 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1C 1300649698 OYHCZSGDTASZPP-MJGOQNOKSA-N 459.978 2.620 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300654795 HPQVUWWWXURPRO-CPJSRVTESA-N 470.570 2.777 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCC[C@@H]1C 1300677170 ZQUTVVAHJQNSKK-JXQFQVJHSA-N 461.607 2.987 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1300727321 WKHNXHGAQJBJGW-UHFFFAOYSA-N 460.623 2.699 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCCO2)CC1 1300729417 ZDKGUFBQMBSXMT-HSZRJFAPSA-N 465.598 2.607 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1300756315 JPZWPBVPMVEVLH-GOSISDBHSA-N 493.637 2.949 30 10 JFEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1300766451 CYGMZTLZXAAWEE-UHFFFAOYSA-N 453.641 2.717 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1300914100 BQEPBMZYCDRJHB-INIZCTEOSA-N 474.052 2.971 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300980544 JXVXCYJJVXWDBJ-KRWDZBQOSA-N 460.966 2.756 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1301109973 QKIHRFYAJAKNER-PXDATVDWSA-N 460.667 2.606 30 10 JFEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1301150909 DHFGPKCWUINIFB-FUHWJXTLSA-N 495.671 2.627 30 10 JFEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1301222964 KAWCRWWSMUCYLC-NRFANRHFSA-N 473.599 2.577 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2CCC(OC)CC2)C1 1301566019 IZUDXJVSNNGYAR-JOCHJYFZSA-N 471.650 2.810 30 10 JFEE C[S@@](=O)Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)cc1 1302510339 DOPJRNHUCMCZDO-UUWRZZSWSA-N 477.594 2.982 30 10 JFEE C[C@@H]1CCC[C@](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)(N(C)C)C1 1304982652 BDMBATCWSWRZPO-DVECYGJZSA-N 470.643 2.808 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1 1309577808 KAYVLKFXHVAKPS-VQTJNVASSA-N 467.513 2.911 30 10 JFEE CCOc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCCS1(=O)=O 1314215061 FYAQPAABNJTYFH-ROUUACIJSA-N 461.588 2.819 30 10 JFEE COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCN(C(C)C)CC2)cc1 1315521726 AVOWZPSSFVFCFE-LJQANCHMSA-N 456.591 2.839 30 10 JFEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(=NCc3ccccc3)cc[nH]2)c1 1357766566 FECMVGCAKPTHSL-UHFFFAOYSA-N 454.530 2.603 30 10 JFEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358915636 KXQWMIAMCCBNCM-IBGZPJMESA-N 454.600 2.555 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCN(c2ccncc2)CC1 1358943775 VOIFTNANRMHWBO-UHFFFAOYSA-N 475.597 2.639 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358958578 QWHPLGFHSWXNHE-FQEVSTJZSA-N 473.002 2.820 30 10 JFEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358965844 BZTMVPJPQURHTP-LSWJPFSZSA-N 483.638 2.969 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358967485 LGTRVONQAWPPDC-FXAWDEMLSA-N 460.575 2.873 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1c(C)noc1C 1358992039 XJXRFVDYZQPLNX-UHFFFAOYSA-N 469.549 2.985 30 10 JFEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1359001710 BBAHNJSSUIAZOT-WMZHIEFXSA-N 459.616 2.525 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)CC1 1359095007 IYBFVICBXJUMBD-PGRDOPGGSA-N 455.559 2.612 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1359108184 FEPFQPOLLJKWSC-GBXCKJPGSA-N 489.642 2.936 30 10 JFEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1)c1ccccc1 1359139574 WVRKQKPDSHATEZ-LYBXBRPPSA-N 463.579 2.509 30 10 JFEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(N2CCNC2=O)CC1 1359143624 IHDWBBNULMQXLP-UHFFFAOYSA-N 468.787 2.793 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1 1359255751 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C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690419044 FTOKWKPTXKUOJK-IHRRRGAJSA-N 453.531 2.647 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccs1 1690567372 AYDNEGTXHNRXTD-AWEZNQCLSA-N 450.565 2.725 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690675654 ARZFTTSBIWMBJB-UHFFFAOYSA-N 497.987 2.959 30 10 JFEE CC(C)N(CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1692484349 HRJLGNCMPDQDOR-JOCHJYFZSA-N 476.626 2.799 30 10 JFEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C1 1697846268 CLCRUJAABSRENQ-FYYLOGMGSA-N 482.629 2.950 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCN2CCCC[C@H]2C)c1 1705508336 SQIWOSUBLIGGAW-OAQYLSRUSA-N 491.640 2.721 30 10 JFEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705536516 QKDAQRACRWBPLZ-UHFFFAOYSA-N 458.566 2.577 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccc(OC)cc1OC 1705552008 UKUBSUXYGYFIEG-FQEVSTJZSA-N 485.585 2.916 30 10 JFEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1705562808 KPPMLAQCCFVREN-QFIPXVFZSA-N 497.665 2.928 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705564945 FYALOJCMWTXFPW-AVRDEDQJSA-N 498.571 2.944 30 10 JFEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1705616324 CSVVDEADJYSEOR-DEOSSOPVSA-N 455.628 2.833 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705624503 DKGYEAUROWKCDN-UNMCSNQZSA-N 471.627 2.544 30 10 JFEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)N1CCCC1 1705628948 SWVMFZGHRHIGEP-LEWJYISDSA-N 490.649 2.547 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1705650362 PNEFNLMQSMLVQQ-KDYSTLNUSA-N 477.657 2.740 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1705782471 XLJVOCHHAYHZBT-GOSISDBHSA-N 490.626 2.851 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 1705860370 QGXGRBPENVILFQ-OFNKIYASSA-N 482.654 2.976 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1705904304 LSTAURKFWCQHIK-QZTJIDSGSA-N 462.595 2.515 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC=C)C1 1705913213 HQPKEBGLKVBRPA-UXHICEINSA-N 458.584 2.575 30 10 JFEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC2CCCCCC2)CC1 1712106932 IAWIMJKZQFYAKH-UHFFFAOYSA-N 496.612 2.763 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1722282455 YVOQTHIFUSLJOK-MGPUTAFESA-N 453.465 2.881 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722332778 OPLFRXXTWBXWHY-ZCNNSNEGSA-N 459.591 2.863 30 10 JFEE C#CCN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722361434 DOFAKZSFQDWQMK-SFHVURJKSA-N 450.518 2.734 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1722426255 DWLBSSIWKZBLGQ-FQEVSTJZSA-N 465.520 2.526 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC[C@@H]2C)CC1 1722442736 ATCYVWLSKZVEOQ-AZUAARDMSA-N 481.597 2.601 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nc(C)cs2)CC1 1722448935 IYGHPRAUSNSFEC-UHFFFAOYSA-N 452.559 2.787 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722494161 NEBVPXFBFUESSU-NYCQLSGJSA-N 461.607 2.562 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC 1722506338 FANLXSONAODWJQ-SJBKTWHCSA-N 474.627 2.849 30 10 JFEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1722624809 IYYSOGGOLZCSOH-UHFFFAOYSA-N 453.547 2.538 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 1722655949 NKIDSFCBDYZAAY-UHFFFAOYSA-N 453.635 2.635 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(C(=O)OC)CC1 1722681511 LLNILDSXRXQHIJ-NRFANRHFSA-N 471.558 2.908 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)c3ccsc3)CC2)nnc1C(C)(C)C 1722731056 CFFOPQQHXZCPFA-UHFFFAOYSA-N 465.645 2.590 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1(N(C)C)CCC1 1723925143 HCPOVVLNSCXDII-GOSISDBHSA-N 483.642 2.538 30 10 JFEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1727002622 GKBXEGGIKCPLSI-IRLDBZIGSA-N 466.634 2.742 30 10 JFEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1729676348 CFYJMCZGWLCCPX-HXUWFJFHSA-N 479.629 2.956 30 10 JFEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740586255 UMOJHIGAKXWBPP-OAQYLSRUSA-N 464.614 2.890 30 10 JFEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740589189 QSLDMGWIAGVIKM-PBHICJAKSA-N 460.460 2.761 30 10 JFEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1C[C@H](C)O[C@@H](C)C1 1740632348 IGRFSNMNIOEZOR-ROUUACIJSA-N 468.627 2.823 30 10 JFEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1740645013 CGQYREHJVFVRFN-UHFFFAOYSA-N 470.562 2.676 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)[C@@H](C)[C@H](C)O3)CC1 1740708032 ZNTUQGMMOHKMFP-ROUUACIJSA-N 451.571 2.713 30 10 JFEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740721491 KWOUHPOFCUXABD-LJQANCHMSA-N 468.627 2.735 30 10 JFEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1)C1CC1 1740910664 RAGPGMHOOUNUAI-INIZCTEOSA-N 485.532 2.914 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1740958387 ALJFVKUHSFWNEU-UHFFFAOYSA-N 465.602 2.616 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1741797775 BRORJJXEEDTWQX-KRWDZBQOSA-N 485.639 2.610 30 10 JFEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)CC1 1746433423 CGNLKVGYVCQSTO-OAQYLSRUSA-N 464.662 2.763 30 10 JFEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C 1746453630 BWJAZYIXTYZNGL-FQEVSTJZSA-N 479.629 2.908 30 10 JFEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748809328 SEPBAHBDCNEHAX-RTBURBONSA-N 491.411 2.679 30 10 JFEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748809423 MWEABHOJKSTBKS-XUZZJYLKSA-N 494.665 2.956 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1748815579 RMTALEHSQITNJL-QUCCMNQESA-N 483.569 2.882 30 10 JFEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2c(C)cccc2C)CC1 1748995221 ZWWMXIMHJMAUQW-UHFFFAOYSA-N 462.623 2.884 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1749011083 UCJORWSWPCNMHO-SANMLTNESA-N 460.582 2.724 30 10 JFEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1749019611 ASEJJGAUAAMZGG-UHFFFAOYSA-N 452.628 2.824 30 10 JFEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1749033489 GRYAYMAIQNNAMU-JXFKEZNVSA-N 474.581 2.757 30 10 JFEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1749165595 KGBBMQZFHKSQJU-LJQANCHMSA-N 458.588 2.555 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749272280 OOEILQIIFUXQSH-SFHVURJKSA-N 458.010 2.586 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1749427692 SIUIJBZISWGATO-GCJKJVERSA-N 465.019 2.984 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1749660442 PHMYCKQSYVBZDI-HXUWFJFHSA-N 489.580 2.814 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](COCC)C1 1749668988 BFCIDKASEVCQOY-PMACEKPBSA-N 490.649 2.948 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2COCCO2)C1 1749711744 BZOFMDSZHBOBIN-RTWAWAEBSA-N 491.633 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1cnn(C)c1 1749726965 LNTVZBIEWFVDAY-FQEVSTJZSA-N 486.598 2.638 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccccc2)CC1 1749736188 GHPLXTTVQXGBKW-UHFFFAOYSA-N 480.638 2.577 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1749740582 GVSNFQCMZGLPTE-UHFFFAOYSA-N 451.600 2.632 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)N2CCOCC2)C1 1750377952 CXQIPRZEENKHNI-NRFANRHFSA-N 497.358 2.855 30 10 JFEE Cc1c(Cl)cccc1NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1751377296 AVOQPAUSQDEHDC-SFHVURJKSA-N 455.950 2.960 30 10 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2.769 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccnc2)cc1C 170356616 WFJVDTXWWDFNDF-OAQYLSRUSA-N 479.514 2.829 30 10 JFEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@H]3c2cccc(OCC)c2)C1 256034253 YYBVWADOZLNGLF-BPQIPLTHSA-N 465.510 2.584 30 10 JFEE C#CCN(CC(=O)O)C(=O)[C@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCOC1 757481657 SEEURWDAFBDVAZ-MHZLTWQESA-N 476.529 2.868 30 10 JFEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)CC1 758660276 CJXLAVPEVMPTHH-YKSBVNFPSA-N 466.607 2.597 30 10 JFEE C=CCN(CCc1ccco1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1137857456 UEAWICZCBWTZRJ-BHIYHBOVSA-N 452.573 2.507 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1286287326 AWGVBYNTJIARBK-INIZCTEOSA-N 460.542 2.711 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1286299172 TZZXHPPZEVSTFI-IBGZPJMESA-N 464.618 2.559 30 10 JFEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NS(C)(=O)=O)CC1 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484.689 2.894 30 10 JFEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359050221 JYDLRECIBOYYPC-ZIAGYGMSSA-N 452.334 2.516 30 10 JFEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359058975 WJYXXCKPCJZAAY-UHFFFAOYSA-N 464.570 2.732 30 10 JFEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359134179 MTOYMTIQRYZYEZ-QHCPKHFHSA-N 456.610 2.817 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1)c1ccccc1 1359195889 UAFLRBNXKKJANC-NHCUHLMSSA-N 457.600 2.737 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359261198 ZPAZIGSBBUGQSB-MLSMKVKPSA-N 466.517 2.640 30 10 JFEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCSC1 1360476020 GVELBHFAHABSJU-ZHRRBRCNSA-N 464.636 2.999 30 10 JFEE C#CCN1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CC1 1444337695 JUJOPYYHQUMZSV-UHFFFAOYSA-N 455.580 2.976 30 10 JFEE CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 1465304095 BYNXHNDQFFXBGP-UHFFFAOYSA-N 454.552 2.880 30 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C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1508144243 SHWIYIVUAKOLIL-GOSISDBHSA-N 462.616 2.676 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508146945 FDFXGZDUHXOWGE-IBGZPJMESA-N 497.625 2.539 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508148822 KPTDCCRALCJSEL-LJQANCHMSA-N 478.537 2.618 30 10 JFEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCN1CC(F)(F)F 1512404082 BCKBBIMZLPTEMV-LPHOPBHVSA-N 496.559 2.857 30 10 JFEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1514970225 FIOHMDGLVRSGLB-URXFXBBRSA-N 492.672 2.728 30 10 JFEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1518638732 GDMYTMRICOLJKM-PWRODBHTSA-N 482.585 2.972 30 10 JFEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](c2cc(Br)cs2)C(F)(F)F)C1=O 1521025045 BLRXDPJNIAERNU-SNVBAGLBSA-N 455.208 2.634 30 10 JFEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3N(C)C3CCN(C)CC3)cc2C1=O 1528655422 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C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1541803415 HTUPRWGORXSGQD-RYUDHWBXSA-N 458.407 2.791 30 10 JFEE CC[C@@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2)OC 1545305317 DCENHNOZKFSNPV-XLIONFOSSA-N 468.558 2.869 30 10 JFEE CC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1545960568 GHTMRCVSCGKMSY-UYAOXDASSA-N 473.647 2.666 30 10 JFEE CCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCCC1 1547928732 DVWQMSOICQBTTM-UHFFFAOYSA-N 472.615 2.684 30 10 JFEE N#Cc1ccc(N2CCC3(CC2)C[C@@H](C(N)=O)N(C(=O)Cc2cccnc2)C3)cc1C(F)(F)F 1548380141 RNRNAWUHPYYUBL-FQEVSTJZSA-N 471.483 2.888 30 10 JFEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1OC 1554824105 FAUHKCSWQFHEGQ-KXBFYZLASA-N 482.507 2.821 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCn1cc(Cl)cn1 1555544345 BNXXJQQCQAPJMH-UHFFFAOYSA-N 463.933 2.810 30 10 JFEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1587808577 UEQYVANIFUFYEE-MAUKXSAKSA-N 451.980 2.533 30 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C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)CC 1286524223 CMTBQGHKIYMTFW-XMMPIXPASA-N 458.607 2.863 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286538628 RCYMJKKTPALMPC-INIZCTEOSA-N 451.369 2.699 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286693314 ZEFOOZJZWGKOBH-UHFFFAOYSA-N 478.395 2.576 30 10 JFEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286751812 NCIPXXTWVUQBTB-HSALFYBXSA-N 486.617 2.717 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286783158 LVDWYIUWBVUCNM-KRWDZBQOSA-N 489.983 2.622 30 10 JFEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286829287 WEJCFITYGRWJRF-UHFFFAOYSA-N 466.615 2.639 30 10 JFEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1287122157 CIWCXROPJKDOOD-HXUWFJFHSA-N 477.613 2.851 30 10 JFEE CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)NC(=O)OC(C)(C)C)CCN2C1=O 1298875213 BXXXTJJAGZMFKF-LJQANCHMSA-N 494.600 2.676 30 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C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1300857783 GNLNEQYUEUVXMR-UHFFFAOYSA-N 473.368 2.918 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300864144 ZELWZNQJTYWDHX-NWDGAFQWSA-N 452.275 2.543 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@]1(OCC)CCOC1 1300896413 FEOXCJBBQDIKIM-WVBUVRCRSA-N 464.998 2.935 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1301113761 FFMOBDABXYQIPJ-UHFFFAOYSA-N 479.972 2.659 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301508438 LOUZBJSUUPTXHS-QHCPKHFHSA-N 495.546 2.904 30 10 JFEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1304858307 HEVWGOSFQQOFBR-UHFFFAOYSA-N 451.575 2.647 30 10 JFEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1316347551 GPPTVMVYYNCVSK-UXHICEINSA-N 457.600 2.894 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(F)(F)C1(OC)CCOCC1 1358887446 XHDDLCOHBGAINO-HNNXBMFYSA-N 472.496 2.883 30 10 JFEE 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C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(F)(F)F 1359299262 AHWDUBGZOIBEGI-CQSZACIVSA-N 460.501 2.693 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359304685 GGDCOYRRCPYSAE-FQEVSTJZSA-N 479.585 2.927 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCC(F)(F)F)C1 1359311128 RCVXZZNTIGNFQL-KRWDZBQOSA-N 480.491 2.680 30 10 JFEE COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1c1ccc(O)cc1 1475546983 CEXWINHHRZYZKK-JKSUJKDBSA-N 454.426 2.860 30 10 JFEE C#CCN(C(=O)NCC(=O)N1CCc2ccccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1477746893 ALJSKQUYZIEQSV-UHFFFAOYSA-N 454.571 2.616 30 10 JFEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1504560829 AGECJPWGZMUCEK-LGVFNWMJSA-N 493.656 2.916 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2c(CC)noc2C)c1 1507549327 ZIADBWLMLWSLDN-UHFFFAOYSA-N 498.547 2.889 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 1507549870 RCVNCFLWFGXKRS-WMZHIEFXSA-N 459.554 2.852 30 10 JFEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507555886 WWORPPFLOXVRLP-NBGIEHNGSA-N 494.640 2.755 30 10 JFEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507555996 DENUETMQVUKVKK-QHCPKHFHSA-N 476.625 2.895 30 10 JFEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1507560406 HYSWCVATQGVMQH-IBGZPJMESA-N 475.597 2.737 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CCCCC1 1507653673 QAIOAYLOXJUDGK-LVXARBLLSA-N 485.629 2.991 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc2c(n1)CCCC2 1507680594 JESFEKGYYWODIU-UHFFFAOYSA-N 478.622 2.977 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H]1C(C)C 1507709781 ADVIECRWJJQYOF-WMZHIEFXSA-N 478.597 2.822 30 10 JFEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCCC1 1507710768 VCBKDCMCHVQIRL-UHFFFAOYSA-N 464.570 2.627 30 10 JFEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1)C1CC1 1507989123 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C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 1588751564 MCPOBGRYNAKNMY-QZNHQXDQSA-N 486.686 2.902 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2CCN(C(C)=O)CC2)CC1 1588780705 VTYXBXLQPXHVBA-UHFFFAOYSA-N 494.640 2.755 30 10 JFEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1593735748 REBGZPZLJUIOOP-UHFFFAOYSA-N 465.558 2.539 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CC1 1595084690 MBVZTIQWNPQQAH-UUWRZZSWSA-N 475.578 2.901 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595094718 WXIGVMXNHRPBIQ-NRFANRHFSA-N 479.610 2.629 30 10 JFEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)(C)C 1595177740 AWGMFCCYETVDFW-UHFFFAOYSA-N 473.647 2.887 30 10 JFEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595314085 FPKBQYYECYTKFK-AWEZNQCLSA-N 470.883 2.552 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1595465931 BLNMHZJQUJUGAZ-GOSISDBHSA-N 499.934 2.598 30 10 JFEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595871134 HKIMVHPOBAXQPW-MRXNPFEDSA-N 450.609 2.642 30 10 JFEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1595905590 NDTGRPDBAGVNKN-KSFYIVLOSA-N 464.636 2.971 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1611676930 FXSMBMURIKWCPI-LQBOVUBWSA-N 484.626 2.605 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)O 1611738338 CTYVDBKDFJVVKX-IRXDYDNUSA-N 480.548 2.705 30 10 JFEE CC#CCNc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 1612208974 NEUBLVMUYQGDDU-UHFFFAOYSA-N 455.496 2.629 30 10 JFEE CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N1CCCC1 1613644622 COQYBMOERQMBRB-VQTJNVASSA-N 451.623 2.728 30 10 JFEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCSC2)cc(OC)c1OC 1619079283 FOQMLWQKXNGUEB-GOTSBHOMSA-N 473.599 2.969 30 10 JFEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1nc2cccc(Cl)c2n1C 1619911738 DVLGKGOBWQFXGT-UHFFFAOYSA-N 453.938 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C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CCC)CC2)CC1 1690152356 IPMVAUZDQCXZSR-UHFFFAOYSA-N 468.627 2.816 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690250806 LMXOWXXSCWZQIF-VWPQPMDRSA-N 459.616 2.649 30 10 JFEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690288113 IWNSHGABVSPHDY-GOSISDBHSA-N 491.637 2.793 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccc(F)cc3)CCOCC2)CC1 1690364877 ZEDYYFUFBXDGLC-SFHVURJKSA-N 477.606 2.932 30 10 JFEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1690445530 YPMVIJNIEFXJAH-FQEVSTJZSA-N 469.615 2.510 30 10 JFEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690518434 JSQTUGQEURVLHR-HKUYNNGSSA-N 454.510 2.822 30 10 JFEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690629105 DGIHBWTZKPVHIP-IAGOWNOFSA-N 451.568 2.851 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690676236 UGTRQMUKQPSFPS-UHFFFAOYSA-N 488.596 2.761 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1690691205 AITCDJWHOLWNIE-DHIUTWEWSA-N 477.613 2.541 30 10 JFEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690748695 DCTFQFKQKNWDIS-DYESRHJHSA-N 489.715 2.542 30 10 JFEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)CC1 1690952848 DIQGZAUWLCWMKU-UHFFFAOYSA-N 479.629 2.957 30 10 JFEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1691003014 AOTQHNPEQBWAPX-NRSPTQNISA-N 456.616 2.613 30 10 JFEE CC(C)CC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1692292146 GAAIPVXPBVFAKB-BJKOFHAPSA-N 467.549 2.821 30 10 JFEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1692929933 HETQKAOHZHIGEO-NRFANRHFSA-N 456.597 2.998 30 10 JFEE COc1ccc(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)C[C@H](C)C#N)c(OC)n1 1697445593 HYFVRKZCFBDYBX-OAHLLOKOSA-N 450.499 2.773 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)CN1CCCC1 1705500874 UJBDLWAETGNDRS-BJKOFHAPSA-N 463.674 2.833 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1705562664 HOJKVDIVLJLWGM-QFIPXVFZSA-N 496.637 2.790 30 10 JFEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1705567855 AXTHMSQYAKXRIC-GOSISDBHSA-N 481.018 2.952 30 10 JFEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1705567867 BEHDIDZFADQVOE-MOPGFXCFSA-N 489.548 2.791 30 10 JFEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccsc1 1705613360 ZCCHVXKARJAAHC-HSZRJFAPSA-N 451.600 2.881 30 10 JFEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2c(CC)nn(C)c2OC)CC1 1705634927 MWAIMBFPGJGODQ-OAQYLSRUSA-N 461.614 2.928 30 10 JFEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705654210 ZTHQMNNTESFUGQ-JOCHJYFZSA-N 482.654 2.761 30 10 JFEE C#CCSCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665581 YBGSOFYOUNSDHH-KDURUIRLSA-N 490.674 2.720 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705665952 JIYUCQBACWKMJP-UHFFFAOYSA-N 481.626 2.936 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC(C)C)CC1 1705706605 XQYVALJLMQYMDR-LADGPHEKSA-N 454.619 2.792 30 10 JFEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705732881 FLGYRHDGISEUEZ-IBGZPJMESA-N 488.036 2.719 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705739553 KLUPRZDOFAVARD-UHFFFAOYSA-N 481.576 2.834 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705790041 GZNSPGNNAOADJA-KNQAVFIVSA-N 451.619 2.931 30 10 JFEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705890762 GYVURZOAZWAJHQ-IBGZPJMESA-N 470.574 2.769 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)COC)C1 1705924074 AFNQWKLZYXAFJU-QRVBRYPASA-N 465.595 2.650 30 10 JFEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705942008 DSYCEZYNUPAWFX-INIZCTEOSA-N 466.405 2.578 30 10 JFEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 1708099774 FEQXNYHGRMZCAM-HXUWFJFHSA-N 499.685 2.797 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1712318333 HDKHCNRSZPJXAZ-YZIHRLCOSA-N 496.612 2.907 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1c(F)cccc1F)N(C)C 1722285684 YMXXHFLLARIJML-CRAIPNDOSA-N 453.497 2.964 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CC(F)(F)F 1722290661 NAOHMXVNXBVIGR-SJORKVTESA-N 488.555 2.929 30 10 JFEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722360665 BSULICUMFCVEAJ-HKUYNNGSSA-N 490.651 2.732 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCN(C)[C@@H](C)CC)CC1 1722437855 KDUVAJBXQWVXQP-NRFANRHFSA-N 490.656 2.721 30 10 JFEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722451986 ABTAOGSVZGRPIW-GAJHUEQPSA-N 490.029 2.612 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722495584 SHPIZHVIAOSVNZ-QRTARXTBSA-N 484.420 2.640 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1722504015 MOPSZNJVGKPGAI-CVDCTZTESA-N 468.558 2.969 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722585278 UQMUTUATAYKIGD-GOSISDBHSA-N 472.615 2.507 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722625568 WQXLGVOURZRKTQ-UHFFFAOYSA-N 462.554 2.909 30 10 JFEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)(C)C)cs1 1722682058 WUGBTQKUSIBISU-HNNXBMFYSA-N 453.634 2.621 30 10 JFEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1722738556 LFHCTHLAPSLUJV-LJQANCHMSA-N 459.591 2.732 30 10 JFEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccs1 1723982731 FUUSDOSSXXIREA-MAUKXSAKSA-N 470.530 2.777 30 10 JFEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(=O)NC)CC2)s1 1727487243 CCJWTRKMIUISKP-UHFFFAOYSA-N 450.572 2.631 30 10 JFEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1Br 1730131808 GXJHAHQWSGRSAO-ZBFHGGJFSA-N 496.431 2.932 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1740619460 OTSMYDJZRXPYFA-GOSISDBHSA-N 483.594 2.914 30 10 JFEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1740620787 XZVYEBJHENEMHY-OALUTQOASA-N 475.596 2.766 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1740621998 RQVWAWCGSVQEBY-QGZVFWFLSA-N 459.934 2.808 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740625879 SWKISVORGFMUIN-RTBURBONSA-N 489.692 2.922 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1ccnc(C(C)(C)C)n1 1740639110 QYOUQABQCAVGJX-UHFFFAOYSA-N 494.603 2.985 30 10 JFEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H]1CCCCO1 1740644092 ZZOAGPMMDYSNJB-RUZDIDTESA-N 460.626 2.675 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740646522 BXLLWLUUCAUUEW-AREMUKBSSA-N 483.613 2.960 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740707325 YHJBVYGKCQIVTH-JOCHJYFZSA-N 492.668 2.964 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740749861 GLTZXVJQZBZHEH-YADHBBJMSA-N 480.613 2.750 30 10 JFEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740949517 YSNQGYPSGLJOHH-UHFFFAOYSA-N 480.613 2.600 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740956128 HGPMUDAPUHMFDK-KRWDZBQOSA-N 471.949 2.985 30 10 JFEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1740967699 NWZYQMQODOCCIO-UQBPGWFLSA-N 469.586 2.599 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1740969765 AWBHQLKLBJUVDW-MSOLQXFVSA-N 462.595 2.597 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1740997446 ZXEOGFLCMZVCGE-XBMUEBEBSA-N 470.709 2.508 30 10 JFEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1743508841 GUFXVRJYVOMLKJ-YADARESESA-N 469.586 2.912 30 10 JFEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CC2)C(=O)C1 1748750207 ARPLKIKZQDFELW-UHFFFAOYSA-N 456.591 2.617 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ncccc1N(C)C 1748790757 LSIBYBVFSVDZEL-UHFFFAOYSA-N 453.591 2.971 30 10 JFEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(Cn2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1748804828 LUHXDSSEBIATDO-UGKGYDQZSA-N 466.611 2.711 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1748805293 PYAGDNXTTSIZDZ-DJIMGWMZSA-N 498.422 2.811 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1748822131 YODNODAGHFGGRH-QHCPKHFHSA-N 463.607 2.636 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749090420 QARUXTTYNHUSSB-UONOGXRCSA-N 451.756 2.959 30 10 JFEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749456615 JATOGLCTHYMXJX-TZIWHRDSSA-N 455.607 2.906 30 10 JFEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1749500425 ZUFIUDUHGPBAOY-FQEVSTJZSA-N 466.611 2.793 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCOCC1 1749540887 DQGHRYMXLCRRAO-XMMPIXPASA-N 460.550 2.803 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1749541284 LGEZRJFZRQHMCS-KRWDZBQOSA-N 463.579 2.573 30 10 JFEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1749548760 IXYNBGBQVULWQE-UHFFFAOYSA-N 489.623 2.862 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749681237 YZFDAVIHHULXPP-FQEVSTJZSA-N 453.587 2.908 30 10 JFEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749687166 MYJXZNQYXCTRQA-UHFFFAOYSA-N 452.603 2.759 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[S@](=O)C(C)(C)C)C1 1749698349 UBWFFTPYOKEKBV-HQDYDAOOSA-N 454.637 2.647 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749725117 QCLIIEAJTOQMMQ-UHFFFAOYSA-N 495.653 2.842 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@H](OC)C(C)C)c1 1760128826 UJQCXFRBZFVUDL-NRFANRHFSA-N 478.553 2.733 30 10 JFEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760146376 KSAWMFVVAJPUQO-IBGZPJMESA-N 466.611 2.981 30 10 JFEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=C)Br 1760235322 JYLHUPKNBVWAIM-OAHLLOKOSA-N 454.369 2.955 30 10 JFEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2c(C)noc2C)CC1 1760260008 UFOJPDQDYRGWPV-UHFFFAOYSA-N 483.617 2.801 30 10 JFEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760369167 GVNHYVCNMONHJT-JTSKRJEESA-N 468.005 2.948 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760379616 AYHFVEIHGQUQJM-UHFFFAOYSA-N 460.966 2.956 30 10 JFEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760419653 YRAKNQYUSINIEQ-IBGZPJMESA-N 486.436 2.768 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760519155 ULSGHOMCTRJDML-UHFFFAOYSA-N 465.558 2.612 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CCC(C)CC2)CC1 1760520098 CLWJSASDANQPHP-UHFFFAOYSA-N 452.603 2.957 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2ccc(OC)cc2)C1 1760543383 SCIVNTNGDVHTIM-RCZSKKKRSA-N 474.627 2.849 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCSC1 1760548352 DVNMLQRFYLURBR-GOSISDBHSA-N 463.629 2.690 30 10 JFEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760567925 QWBYXPJLGIODHV-XMMPIXPASA-N 468.627 2.797 30 10 JFEE CCC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1765552239 ABUNXFYCMBFYBP-LJQANCHMSA-N 469.565 2.667 30 10 JFEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1766641676 DRJOSVVSXUFUHY-UHFFFAOYSA-N 497.625 2.797 30 10 JFEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1766973158 HALPLYQRRPGYSZ-IBGZPJMESA-N 477.573 2.970 30 10 JFEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1770314862 HQFKUZKTNSRBFF-YJBOKZPZSA-N 452.481 2.813 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)C1 1771530194 CZGVYJOBSHQTAG-NRFANRHFSA-N 478.981 2.915 30 10 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C=CCn1c(=C2C(=O)N(c3ccccc3)C(=S)N2C)sc(=C2Sc3ccccc3N2C)c1=O 2297707744 HFXHLPDJNAGFNF-UHFFFAOYSA-N 492.651 2.775 30 10 JFEE CO[C@@H]1CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2317224252 MOLZMRFRNOKOFP-JKSUJKDBSA-N 453.776 2.763 30 10 JFEE O=c1c(Br)c(NN=Cc2cccc3ccccc23)cnn1[C@H]1CCS(=O)(=O)C1 2322659807 NPVDGPJSAXCTKZ-HNNXBMFYSA-N 461.341 2.965 30 10 JFEE C=CC1(N[C@@]2(C(=O)O)C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2326239137 BGDLEHFLKLYGDA-YQSSMULNSA-N 451.564 2.898 30 10 JFEE COc1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)c(OC)c1 2327443190 ISPDMFFGVPIKKE-UHFFFAOYSA-N 463.466 2.612 30 10 JFEE CC(C)(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2ccc[nH]2)CC1=O 2327849678 DSKDXDPVVLNCRM-ZDUSSCGKSA-N 472.600 2.790 30 10 JFEE COc1cc(C=Nn2c(Cc3ccccc3F)nnc2SCC(N)=O)cc(Br)c1O 2329727563 RYNXCSAQXZSTQI-UHFFFAOYSA-N 494.346 2.944 30 10 JFEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337291637 IIOQEQPGLDHYIW-HNNXBMFYSA-N 450.389 2.533 30 10 JFEE 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N#Cc1cccc(N2C(=O)C(SCc3ccco3)=C(N3CCN(c4ncccn4)CC3)C2=O)c1 526693785 WDJNKYSVUOUSDK-UHFFFAOYSA-N 472.530 2.782 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)c1 730781286 VRZYPOCVIKTGTC-NYSBEXSLSA-N 454.548 2.606 30 10 JFEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)CC(=O)O 757402633 RTLJZMDHTFGUFW-ZHRRBRCNSA-N 465.506 2.539 30 10 JFEE C[C@](CO)(NC(=O)[C@@H](CCCCC#N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757447878 AOGXEVBSIWQUKX-ATIYNZHBSA-N 479.533 2.929 30 10 JFEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)c1 849129689 SRRXXSKJXAPCDR-WUEDSLEZSA-N 463.603 2.581 30 10 JFEE COc1ccccc1[C@H]1[C@@H](C(=O)NCCn2cnc(C#N)n2)CCC(=O)N1c1ccc(C)cc1 1128719059 HNMRHEQVOISELY-RDPSFJRHSA-N 458.522 2.768 30 10 JFEE COC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1 1136960890 HEWKIJXQTLQSPT-HXUWFJFHSA-N 457.552 2.555 30 10 JFEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](O)c1c(Cl)cccc1Cl 1137415509 AFWXXIQVSDHZFM-BBATYDOGSA-N 456.351 2.660 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nc3cc(Br)ccc3o2)c1 1141703352 OUBITQOSOSMMKH-UHFFFAOYSA-N 450.314 2.985 30 10 JFEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC)[C@@H]1CCCO1 1197589170 LLRJWOLGQQQDCD-NQIIRXRSSA-N 450.605 2.866 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1201306623 SCVYPVLBDBZWMD-UHFFFAOYSA-N 459.499 2.579 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCCS1(=O)=O 1286304462 HIJPMEVYQICFRA-CQSZACIVSA-N 472.398 2.657 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1-c1ccccc1 1286447417 KKXFTPDFDLKLBH-FQEVSTJZSA-N 492.584 2.675 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1286494073 LFGQEDABQALNJB-UHFFFAOYSA-N 468.646 2.625 30 10 JFEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286503716 IHGUZAIYMKNISS-UHFFFAOYSA-N 450.543 2.808 30 10 JFEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286543736 PJULWBLWCHTUAT-FQEVSTJZSA-N 481.416 2.823 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccs1 1286546083 GBWIGDCEPFQUIV-JZXOWHBKSA-N 453.634 2.610 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286546202 HGEGFQCFRFVJDT-IRXDYDNUSA-N 488.530 2.518 30 10 JFEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1286653312 UHXHTTBUDOWTRJ-UHFFFAOYSA-N 488.658 2.898 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1286791865 FTBWBAOPKAXZRJ-UHFFFAOYSA-N 451.449 2.867 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286791969 ITBQPGZVVWEUFK-QGZVFWFLSA-N 480.535 2.795 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCO2)c1 1298096436 GOPAONYTZRMXRW-IBGZPJMESA-N 458.588 2.504 30 10 JFEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc([C@H](C)OC)n2)CC1 1299109550 GFZVJTNEZHNLNK-HNNXBMFYSA-N 465.583 2.991 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2N(C)CCCC2(C)C)c1 1300336640 MALNRMXKNHARPD-OAQYLSRUSA-N 452.603 2.991 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1300489726 RGSAMOLELVVKMZ-FQEVSTJZSA-N 473.002 2.684 30 10 JFEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300504239 KTPILIYKBUNZIS-SFHVURJKSA-N 489.667 2.867 30 10 JFEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1300505097 XQCKIKZMQAIVCY-LJQANCHMSA-N 485.997 2.889 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1300559357 PAJULTFHRJQESD-AREMUKBSSA-N 478.597 2.923 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)[C@@H](C)CC 1300648883 HBKPUGZIRQLHCO-AZUAARDMSA-N 461.607 2.689 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H](C)C1 1300650554 VAFCYQVNBZNTLT-MISYRCLQSA-N 460.575 2.774 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H](C)N2CCCCC2)CC1 1300682795 RJGBYIOTEAJCET-NRFANRHFSA-N 498.075 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1300731313 NVNLMWPKHPVZHM-NZQKXSOJSA-N 481.597 2.647 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1COc2ccccc2O1 1300769418 GSKAMCLIGYUPKG-KRWDZBQOSA-N 483.619 2.912 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC1 1300789731 WSUGXIXAYKXUKP-XMMPIXPASA-N 470.643 2.673 30 10 JFEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCCC)CC1 1300823343 DAEFDOJTMOBBRU-UHFFFAOYSA-N 481.439 2.946 30 10 JFEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1300946047 ADQLCFQMHUUYSU-QGZVFWFLSA-N 463.586 2.899 30 10 JFEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cccn2)CC1 1300972633 NTHUOXNWTNXPHA-UHFFFAOYSA-N 450.547 2.631 30 10 JFEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301258189 MRFVTBWBTZFVLP-PXNSSMCTSA-N 457.531 2.660 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCN(C(C)=O)CC1 1301484369 GKEDFUPOLYHXOJ-UHFFFAOYSA-N 495.809 2.722 30 10 JFEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301491235 MZEMBNZIJYIPNP-INIZCTEOSA-N 475.519 2.812 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CCOCC2)C1 1301543418 LKEMLAFDVUFWJH-OAQYLSRUSA-N 489.642 2.793 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301588117 WDDAPMIAKRLKCK-LJQANCHMSA-N 450.580 2.860 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1301596107 IAZPQEWRTREWSS-QHCPKHFHSA-N 496.580 2.760 30 10 JFEE CC(=O)N1CCC(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1301663987 FHMHQQGYSPTFAA-HRAATJIYSA-N 456.522 2.544 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](c1cccs1)N1CCCC1 1303802618 ABZCLWIGKWYADA-IXDOHACOSA-N 465.649 2.525 30 10 JFEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@]2(CCO[C@@H]2C)O1 1305204817 BWNRQAKGEAKAIE-UDCNLSRBSA-N 496.612 2.664 30 10 JFEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1313895115 GFJAXANTLLFISH-MOPGFXCFSA-N 475.519 2.806 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nnnn1CC1CC1 1358879615 VHPGEJRSJHYUBN-CQSZACIVSA-N 455.364 2.919 30 10 JFEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1358913221 IYYDOKACKGTDLQ-OHUGHZGNSA-N 489.617 2.774 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358957937 DCNZUNQVRNFXCE-OAQYLSRUSA-N 473.643 2.699 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1358958362 MRNBCVUMVFPRBZ-DENIHFKCSA-N 455.609 2.729 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358960699 JSKAOPNKIDUIJZ-JTHBVZDNSA-N 496.612 2.717 30 10 JFEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358960966 PINAZGASEMTZRE-OFNKIYASSA-N 479.606 2.820 30 10 JFEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1358963378 GWYJETUUAQCPDQ-GOSISDBHSA-N 460.600 2.559 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](N1CCOCC1)C(F)(F)F 1359009960 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2.888 30 10 JFEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCN(C)C)Cc1cccc(C#N)c1 586152405 KXWBOHMIHYCCIN-UHFFFAOYSA-N 470.595 2.836 30 10 JFEE C[C@H](C(=O)NC1CCC(OS(=O)(=O)c2cccs2)CC1)N1C(=O)c2ccccc2C1=O 586508248 UYTYSTRRJKXLPO-WLYUNCDWSA-N 462.549 2.566 30 10 JFEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@H](C(=O)O)CO1 757508930 ZECAUUKCDPWOKQ-QQMNAOGKSA-N 462.502 2.523 30 10 JFEE C[C@H](NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N)c1cccc2ccccc12 853664969 DGZGGZPFSCODKW-DLBZAZTESA-N 465.531 2.799 30 10 JFEE C[C@@H](NC(=O)CSc1nnc(NN=Cc2cc(Br)ccc2O)n1N)c1ccccc1 1084057901 SQKOJSYGNYJBGK-GFCCVEGCSA-N 490.387 2.876 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@@H]2C1 1139647153 DDJBTCRAOJUKKN-ZACQAIPSSA-N 458.946 2.890 30 10 JFEE C#CCN(CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(=O)OC(C)(C)C 1146660916 CUJAUHCJWKPUHR-KRWDZBQOSA-N 451.470 2.770 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 1211816242 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C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)c1ccc(C)s1 1690521344 WSIXJHUYIYGYES-UHFFFAOYSA-N 475.596 2.687 30 10 JFEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCOC1 1690611677 VSQLPSKZFQSSJW-GOSISDBHSA-N 462.620 2.612 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1690622633 UJJDXDJOXBMGOM-JOCHJYFZSA-N 487.670 2.656 30 10 JFEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690643636 LRDIIMZVVZHENI-QGZVFWFLSA-N 472.569 2.834 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690731299 HKTFYIQYUIBICA-SJORKVTESA-N 464.636 2.783 30 10 JFEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)C)C2)C1 1690812080 GMXUHRWWGNDUKJ-GGAORHGYSA-N 466.586 2.848 30 10 JFEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 1692434101 HXVCSTOPGHXWER-PMACEKPBSA-N 478.519 2.941 30 10 JFEE CC[C@@H](C)N(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1694209900 DZBYZLGJDJJJSS-LJQANCHMSA-N 499.063 2.982 30 10 JFEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705524391 KZNVDZAAMCBGOP-AZUAARDMSA-N 459.616 2.918 30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705537327 BQKLFKKCZVHECN-OAQYLSRUSA-N 453.587 2.828 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705560352 KIAAIWWEEGYNKI-PMACEKPBSA-N 461.607 2.644 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1705562426 BURCSTJNJXYZKL-LJQANCHMSA-N 458.584 2.945 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705562760 JSDRUVXANXSYFX-OAHLLOKOSA-N 474.530 2.833 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1705569074 YWGRSAYEUJLCAN-QFIPXVFZSA-N 480.638 2.626 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)OC(C)(C)C 1705606831 HIEKZWPJFZJWNB-UHFFFAOYSA-N 490.630 2.570 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)sc(C)c2Br)CC1 1705632047 GMEDHVGAHAKUPP-UHFFFAOYSA-N 479.448 2.661 30 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C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 1740994927 WNRTZFUPVRAEIM-HXUWFJFHSA-N 484.626 2.743 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1748638728 VEZYFLVDDLNEAA-FXAWDEMLSA-N 481.004 2.722 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1748656168 NGTOQNWKMMYOEL-KRWDZBQOSA-N 465.562 2.636 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC=CCO2)c1 1748694236 BNEGTNGJWKBOTR-JOCHJYFZSA-N 459.554 2.541 30 10 JFEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(CC(F)(F)F)CC1 1748776847 SAHZVMNRWSNEFQ-UHFFFAOYSA-N 498.575 2.539 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1748818700 DVNCHGGTRIELRQ-NRFANRHFSA-N 487.626 2.951 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1748824143 JUDZLCALWVEGFF-IBGZPJMESA-N 458.584 2.683 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOc1ncccc1F 1748868890 LWZFWSPJNBDXEK-UHFFFAOYSA-N 495.584 2.623 30 10 JFEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(c2ccc(OC)cc2)CCC1 1748948815 XIXJMPOEWAZYNP-UHFFFAOYSA-N 451.571 2.731 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC(=O)N(CC)CC)CC1 1748971615 WXWLEIQJVYCWQB-UHFFFAOYSA-N 479.629 2.551 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2snnc2C)CC1 1748979926 SSFMTVUJRFUPCO-UHFFFAOYSA-N 488.415 2.680 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cccnc2OC)CC1 1748999448 WNAXMVDHGDWZST-UHFFFAOYSA-N 452.946 2.718 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@H]1COCCO1 1749056195 DADGLYYKXRJMPE-MHECFPHRSA-N 456.543 2.769 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749114859 IFPSMRIJPJQRSC-DYXWJJEUSA-N 489.642 2.998 30 10 JFEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749230218 VFBCMQMQMSSBGH-VQTJNVASSA-N 490.649 2.948 30 10 JFEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749373643 PTCXDESJJQBMFZ-UHFFFAOYSA-N 499.685 2.616 30 10 JFEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749420462 GHAQNBRLAVHWHR-XXBNENTESA-N 452.603 2.909 30 10 JFEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(Cl)cn1 1749597635 KDVINUPSSGXLAM-UHFFFAOYSA-N 454.922 2.783 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1749655479 LYPXGEBZCKQGPA-UHFFFAOYSA-N 461.010 2.695 30 10 JFEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)NCC)CC1 1749748838 ATTOAZVVBIVJAI-UHFFFAOYSA-N 465.627 2.671 30 10 JFEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1750989610 DADQOYZYAXKDHN-ROUUACIJSA-N 454.575 2.893 30 10 JFEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(C)C)CC1 1751815185 HLDSIUMCFZZGQM-UHFFFAOYSA-N 459.602 2.972 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)C)C1 1760213296 XMSZNAKVUKGGFN-NRFANRHFSA-N 467.639 2.932 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(CC)n1 1760216280 HNOQQMRRMQGPBE-UHFFFAOYSA-N 457.563 2.722 30 10 JFEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2N2CCCCC2)CC1 1760257540 YUZXAMWHVHMSDJ-JOCHJYFZSA-N 466.630 2.796 30 10 JFEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760428454 WPPQSVPCIPSABQ-BHIFYINESA-N 458.651 2.765 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760429871 SBCOCLSAKXULGR-UHFFFAOYSA-N 470.578 2.882 30 10 JFEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760442445 AEHAJSYTYUQWSE-FQEVSTJZSA-N 452.559 2.511 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1760493439 DZHILHMKUOXQPX-CYFREDJKSA-N 460.623 2.638 30 10 JFEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1760525609 LLEIUPHAAHWDJG-LJQANCHMSA-N 456.547 2.653 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCN1CCOCC1 1760551010 QKIQDADPENLORK-SFHVURJKSA-N 493.699 2.501 30 10 JFEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760559764 SRGRPPPBFZEFOM-JOCHJYFZSA-N 451.637 2.890 30 10 JFEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1768699868 IFOCXCBLULQGST-UHFFFAOYSA-N 453.572 2.544 30 10 JFEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1769776006 GNRQJHJDLLSILN-HXUWFJFHSA-N 467.599 2.819 30 10 JFEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1771530129 BGNVUSIGZACLTE-LIRRHRJNSA-N 485.511 2.596 30 10 JFEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccn12 1858242774 FZXFVFQIMMCYAS-UHFFFAOYSA-N 451.490 2.816 30 10 JFEE N#Cc1cccc(C(=O)Nc2ncccc2OCC(=O)Nc2nnc([C@H]3CCCO3)s2)c1 1858748180 YKDGLKSTFZOYBN-MRXNPFEDSA-N 450.480 2.926 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C 1862410217 CXOMKEYTXHZLLD-QKKBWIMNSA-N 471.506 2.989 30 10 JFEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 1862593089 BYSFLTTWNDJKLZ-OAQYLSRUSA-N 465.462 2.891 30 10 JFEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 1863478440 UJSBHNPQUKEAJP-UHFFFAOYSA-N 464.528 2.659 30 10 JFEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)nn1[C@H]1CCS(=O)(=O)C1 1869951670 XXVUXSLGWJFEQD-BZSNNMDCSA-N 455.625 2.940 30 10 JFEE CC(=O)Nc1ccc(-c2nc([C@@H](C#N)C(=O)CN3CCN(c4ncccn4)CC3)sc2C)cc1 1872797765 UCFDZYQDHXVWJN-FQEVSTJZSA-N 475.578 2.865 30 10 JFEE Cc1ccc(O)c(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1874208346 COCPNJSPIDZWDT-NZYROCMPSA-N 451.552 2.775 30 10 JFEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1 1874342128 ZZLUCDVCQFWMQZ-FZJZADEZSA-N 459.572 2.939 30 10 JFEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc2c(c1)OCCO2 1874434694 SGXDFIHHCLEUDX-OPEKNORGSA-N 491.533 2.509 30 10 JFEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(COc3cccnc3C#N)C2)[C@@H]1c1ccc(C#N)cc1 1891302598 CQGNLQDUGVJMIQ-BJKOFHAPSA-N 475.574 2.756 30 10 JFEE C#CCOC1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 1891719645 DQNSYPYWSQJCBW-LJQANCHMSA-N 469.401 2.633 30 10 JFEE COc1cc2nc(N(C)CC(=O)N3CCN(c4ccc(C#N)cc4)CC3)sc2cc1OC 1892380764 DTIRWDYRGSUCSN-UHFFFAOYSA-N 451.552 2.970 30 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2.603 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCN2CCC)c1 1358900802 RZZOGPOARDVBDH-QHCPKHFHSA-N 491.640 2.835 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC(=O)NCC(F)(F)F)c1 1358902242 IHDFBIDKGIRISG-UHFFFAOYSA-N 464.492 2.601 30 10 JFEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358961785 FFAZCLWYTHXXSC-SFHVURJKSA-N 496.637 2.501 30 10 JFEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1358980941 POADQAPBDPZQBE-RUZDIDTESA-N 454.578 2.719 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1358994447 NKMUBXZDUCRKGT-QZTJIDSGSA-N 460.987 2.764 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCC1 1359015253 NEQPHNHJNADDFV-INIZCTEOSA-N 465.620 2.953 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1359021164 DVWUICKCBWOJBR-PMACEKPBSA-N 450.587 2.791 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)CC1 1359035589 YGTFZPQVORZWDF-IBGZPJMESA-N 479.585 2.661 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1359048638 XJMICDAGRPGZLS-UHFFFAOYSA-N 463.567 2.675 30 10 JFEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@H](C)C1 1359128277 PBJDQFNZVNKLRE-QGZVFWFLSA-N 465.645 2.730 30 10 JFEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1359133954 FUWFIBABZFUESH-UHFFFAOYSA-N 461.632 2.970 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1 1359263129 QGSQMADGZKWRPH-UYAOXDASSA-N 458.632 2.984 30 10 JFEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359311029 OGUMUFKVZHMFOW-UHFFFAOYSA-N 469.586 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1359333729 HXOGYIMXQAKURG-SIKLNZKXSA-N 467.595 2.831 30 10 JFEE C#C[C@@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1436647544 DVSZNVPTYHDTKN-QGZVFWFLSA-N 454.976 2.945 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cc(Cl)cc(Br)c2)cc1 1455210373 QVWNQOPDMDUMEV-UHFFFAOYSA-N 455.761 2.987 30 10 JFEE CC[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1nnc2n1CCCCC2 1473640404 AGTBDRBTNSMJSD-LEWJYISDSA-N 453.566 2.593 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@H](O)c2ccccc2Br)c1 1475393751 BBZVDUFNLMCBMA-SFHVURJKSA-N 453.358 2.719 30 10 JFEE COCCN(C)CCOc1cccc(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 1477760313 CMRMDMIXPVAYKH-XMMPIXPASA-N 452.555 2.798 30 10 JFEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)OC 1494973077 GDQJZJIKESAANS-DYESRHJHSA-N 474.631 2.738 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCCC1 1507531124 ARWHVVPTOZFJFS-MSOLQXFVSA-N 458.607 2.896 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507578858 DFQWKCXPPQUZOL-MSOLQXFVSA-N 457.648 2.879 30 10 JFEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Br)c1 1507591989 PJMRFCBSMKFJDS-MRXNPFEDSA-N 451.390 2.993 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507594404 FMOHCFMLDOVXAR-ISKFKSNPSA-N 478.641 2.876 30 10 JFEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1507629551 NUGDVHHTBCDBFI-SFHVURJKSA-N 476.624 2.690 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507641177 ZHOJCNUFJHRQCR-PXDATVDWSA-N 486.638 2.916 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1507661310 RSLIJQPFDSSQJN-HHHXNRCGSA-N 477.609 2.726 30 10 JFEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOCC1 1507669742 QUOFUHRXLMFNFE-UHFFFAOYSA-N 484.645 2.578 30 10 JFEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1507724631 IPGSMARUSVTVNU-UHFFFAOYSA-N 459.476 2.575 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1507792721 ACOOFJUIGQVMQF-KNQAVFIVSA-N 490.626 2.959 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507810830 YKKOLGCRZVWNIK-OZXSUGGESA-N 480.657 2.645 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507828890 NPFLEBSIBMDNHH-JOCHJYFZSA-N 484.645 2.770 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 1508008594 PSBQMSBHRIWFBB-FQEVSTJZSA-N 473.624 2.913 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)C1CCC(NC(C)=O)CC1 1508079449 WAPIVYPCDOYZOX-UHFFFAOYSA-N 461.570 2.679 30 10 JFEE C=CCNC(=O)Cn1c(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099510 ZSWHDRPBMTZAQN-JYMRHQFYSA-N 487.576 2.726 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1508122207 HXAVLUXCUNWAMR-GUDVDZBRSA-N 474.606 2.658 30 10 JFEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1517467163 GPPRWYYGOFGGJR-GOSISDBHSA-N 454.575 2.632 30 10 JFEE N#Cc1ccc(C2CCN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 1536618622 HKDWNWMUEMRNFS-UHFFFAOYSA-N 457.527 2.738 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNc1ccccn1 1538983700 VJTVBFVREJCARM-GOSISDBHSA-N 467.599 2.551 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)C2CCCCC2)c1 1539041982 AHSSXMGWCTUAKR-RLWLMLJZSA-N 478.597 2.617 30 10 JFEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539102429 FSGHULSYGVLCQJ-JOCHJYFZSA-N 463.538 2.872 30 10 JFEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1539133864 NKCFNYBOBMPWMY-UHFFFAOYSA-N 464.614 2.713 30 10 JFEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539201876 CLPXRJXNVGWEHK-OAQYLSRUSA-N 463.692 2.960 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1Cl)N(C)C 1539232938 VJCNZDQGMXRDLF-FQEVSTJZSA-N 461.957 2.955 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1539383833 LYJKDPFOSFXTOZ-FUDKSRODSA-N 454.571 2.986 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2cccnc2)CC1 1539474793 ZCIFZUANMYOESF-UHFFFAOYSA-N 474.565 2.566 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ncc(CC)s2)CC1 1539489854 POMRBJFHYMPWEW-UHFFFAOYSA-N 494.621 2.899 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539490593 FPDOWGMAWGBBLI-GOSISDBHSA-N 499.641 2.985 30 10 JFEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539496996 FLZMVTUSYCLFHY-WBVHZDCISA-N 460.401 2.789 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCN(CC)CC1 1539533375 AIHZJOHUPPVMHT-AREMUKBSSA-N 498.075 2.881 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539636513 KZXVOCXCGUAMKS-GGPKGHCWSA-N 450.630 2.925 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCOCC2)CC1 1539890028 HFLRKZIRQDCWMM-FQEVSTJZSA-N 491.633 2.921 30 10 JFEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccc(F)cc2)CC1 1539890633 QZIOXXFUADDFTI-LAUBAEHRSA-N 477.606 2.956 30 10 JFEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539972091 ZXUPSJQQFRUTHF-XMSQKQJNSA-N 471.675 2.979 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1540897830 TVRNZJMTPHFFJG-IRXDYDNUSA-N 455.625 2.743 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1540906049 ZAMBUZGWQOBWBY-UHFFFAOYSA-N 495.049 2.981 30 10 JFEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1548169253 DODIRJORGAWRHU-DFBJGRDBSA-N 483.665 2.565 30 10 JFEE CNC(=O)[C@@H]1CN(C(=O)c2cc(C)on2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375560 QIIRVFPUILTFAE-SFHVURJKSA-N 475.471 2.978 30 10 JFEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1568889298 BNPZNNWFBNPTJD-FQEVSTJZSA-N 459.568 2.830 30 10 JFEE C=CCC[C@@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1568992661 JYFSDTCDPPYPDP-INIZCTEOSA-N 459.499 2.937 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1587574104 BKBQQKCNRDWUAE-QGZVFWFLSA-N 496.413 2.842 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CSCCS1 1587639038 JDPYHAPLYJNMFT-ULQDDVLXSA-N 467.661 2.893 30 10 JFEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587711789 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459.616 2.968 30 10 JFEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCn2cc(CO)nn2)CC1 1594127639 CLWPDGCQWRABQY-UHFFFAOYSA-N 488.390 2.950 30 10 JFEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnccn2)CC1 1594651324 IGXAADOZIQZRHD-UHFFFAOYSA-N 452.588 2.743 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1594733268 PXMUBFFXZDJAGG-UYAOXDASSA-N 479.603 2.658 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1595070528 CODGPBROMJTFAP-FQEVSTJZSA-N 487.626 2.540 30 10 JFEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1595334815 GVLGQXLDIQAZGS-LJQANCHMSA-N 460.560 2.870 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C)n(C)c2=O)C1 1595752651 CMJIZGHSZMXODD-HBMCJLEFSA-N 498.628 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1c1nncn1C 1595766332 PCZDMEZTBKVUBY-KRWDZBQOSA-N 493.540 2.617 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595773238 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2.966 30 10 JFEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 25677282 CGUIIBCKCLOICS-SFHVURJKSA-N 490.994 2.548 30 10 JFEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)S/C1=N\c1ccc(S(N)(=O)=O)cc1 100107648 IVUKEEFFOOANSU-NKWDDMGQSA-N 458.565 2.789 30 10 JFEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 103092504 XPPASKCJEPXRDI-SADKCHQCSA-N 484.936 2.881 30 10 JFEE C=CCc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc(OC)c1O 103100145 ZGDXNDWHOFJFFR-LZGJWPFVSA-N 453.524 2.761 30 10 JFEE CCCCCC/N=C(\N)NC(=N)NCCCCCCNC(=N)NC(=N)NCCCCCC 118391041 QOLLFTYOMPFPDZ-UHFFFAOYSA-N 452.696 2.774 30 10 JFEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)COC 169677964 PPKQUPLSCGXPOW-XMSQKQJNSA-N 460.596 2.757 30 10 JFEE CC(C)(C)N1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 248216639 GKRCRLLROPXOAW-GBWYYYKWSA-N 476.489 2.577 30 10 JFEE C=CCOc1ccc(NCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1-n1cnnn1 586269901 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2.851 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nccn2C(F)F)C1 1286801762 HJYQONSELRPBBN-MRXNPFEDSA-N 478.525 2.770 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN2CCOCC2)CC1 1286814929 IGUWNMCTTRXPEN-UHFFFAOYSA-N 494.061 2.748 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286822479 LEQXOBPTGXMXFZ-UHFFFAOYSA-N 498.653 2.577 30 10 JFEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)c1 1297000298 TWXDIEDAHCRYLE-UHFFFAOYSA-N 456.499 2.854 30 10 JFEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)C1)S(C)(=O)=O 1298546002 AQSSLZITVLVZJW-HXUWFJFHSA-N 479.610 2.562 30 10 JFEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1299240492 BGAVRZXYZBDDJO-FQEVSTJZSA-N 472.553 2.511 30 10 JFEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300352094 FQGUWKMSSHOWBW-HXUWFJFHSA-N 454.600 2.728 30 10 JFEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccc(N2CCOCC2)n1 1300597844 VZPOUWLIYZRNFP-UHFFFAOYSA-N 473.581 2.887 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C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1540136898 LYMNFEIOKFCTRV-HXUWFJFHSA-N 467.549 2.914 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCS(C)(=O)=O)C1 1540884695 TXRYRKOMJRXGLU-QGZVFWFLSA-N 469.405 2.924 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(Br)n2)C1 1540895875 AZBWMPKFQMNKPP-WDYCEAGBSA-N 478.391 2.989 30 10 JFEE C#CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)cc2)C1 1542600793 ZYPYQSVHBVQLIG-XLIONFOSSA-N 452.580 2.985 30 10 JFEE COCCNC(=O)[C@H]1CN(C(=O)CCc2ccccc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368066 PKLFPICPULQKGM-JOCHJYFZSA-N 488.510 2.990 30 10 JFEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cc1ccccc1F 1548371111 WDNJGJHQOPYBOX-OAQYLSRUSA-N 492.473 2.739 30 10 JFEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1554136722 FBUDZYSDJCJROW-HSZRJFAPSA-N 465.646 2.952 30 10 JFEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 1586777021 BBKGONJQJFCOKU-CQSZACIVSA-N 458.374 2.662 30 10 JFEE 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C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OC)C1 1595831865 YHHTUQLKNUSPEH-MSOLQXFVSA-N 483.635 2.566 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1595871428 QRXYRPHRUXAIHL-ROUUACIJSA-N 484.626 2.834 30 10 JFEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1606966024 CRHZEITUKKPBDX-OALUTQOASA-N 484.692 2.663 30 10 JFEE C[C@@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1612775614 BXFVPIXJLDICRF-UYAOXDASSA-N 462.664 2.821 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 1617728517 GXBYGOFPFFTBHL-UHFFFAOYSA-N 477.573 2.829 30 10 JFEE CO[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1619006410 DMPRUAKLZWOZKR-QZTJIDSGSA-N 462.348 2.773 30 10 JFEE CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2cc(C#N)ccc2Br)CC1 1621138538 IECFFZDTXYVQGY-UHFFFAOYSA-N 455.422 2.948 30 10 JFEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)s1 1623365672 JWJDSCUJLZZRHR-INIZCTEOSA-N 458.609 2.996 30 10 JFEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)CC1 1628146754 OQXUTHSWXFIHOA-LJQANCHMSA-N 451.596 2.590 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 1628282780 FZYCMINKYKGHDO-RTWAWAEBSA-N 454.548 2.898 30 10 JFEE C#C[C@H](NC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Br)cc1 1630902720 SVOWYJPSMLBLML-UWJYYQICSA-N 455.312 2.677 30 10 JFEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 1633522838 RIJBYPIMKWFTQP-GOSISDBHSA-N 455.621 2.798 30 10 JFEE C#CCN1CCC[C@H](NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 1645270921 SRMFDZOXMKZHMY-SFHVURJKSA-N 451.548 2.974 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3COC)n[nH]2)c1C 1647807916 LJKSYKCPBYASEU-KRWDZBQOSA-N 458.563 2.784 30 10 JFEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br)C1CCOCC1 1656100097 WKDXHUQSIBGPAY-CQSZACIVSA-N 450.738 2.596 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1 1667322092 NFTGRAYXZCPGKH-JCNLHEQBSA-N 452.577 2.918 30 10 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C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(OC)CCCC2)c1 1705504172 OTHKRYQCVQWSHP-UHFFFAOYSA-N 487.564 2.941 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705567313 WIQCUBOUJGJCSX-ROUUACIJSA-N 471.558 2.897 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1conc1COC 1705622747 SQCSVVPYQUJPKB-UHFFFAOYSA-N 460.332 2.976 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2(C)CCOCC2)n1 1705631675 MGJJOMVDDQUMOU-NRFANRHFSA-N 456.591 2.819 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnn(C)c2C)CC1 1705645308 PYGOKSCGELDWJN-UHFFFAOYSA-N 496.413 2.764 30 10 JFEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(C)C)CC1 1705736444 SBVDNIFRVKBBLW-UHFFFAOYSA-N 475.663 2.751 30 10 JFEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705826983 OUXLFZISHRCYAF-SFHVURJKSA-N 475.391 2.856 30 10 JFEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(=O)(=O)c1ccccc1 1705842002 IPEMPGVAKPQVFX-UHFFFAOYSA-N 481.626 2.938 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1705913028 BRACJEYDQXPEGI-FQEVSTJZSA-N 470.599 2.553 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)Cc2cccc(F)c2)C1 1705918849 RFTIPMYVPGGUJO-FQEVSTJZSA-N 452.534 2.563 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2F)CC1 1705935571 VUQZAUAFWCWVRK-UHFFFAOYSA-N 484.601 2.639 30 10 JFEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1706828766 HSMUPSMHBAHCQW-MSOLQXFVSA-N 497.600 2.556 30 10 JFEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)c1 1707168587 FHYQZFPUDFCQHQ-UHFFFAOYSA-N 450.465 2.892 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cnn(C)c1 1708748058 DXSSMMINOUGOIU-UHFFFAOYSA-N 489.628 2.562 30 10 JFEE CCc1nc(CCn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)no1 1708993042 DFALJQQUNFJTTA-MRXNPFEDSA-N 488.346 2.536 30 10 JFEE CS[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1712725824 FWDHLCGDJXMFMM-JKSUJKDBSA-N 460.629 2.805 30 10 JFEE 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Cn1cccc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)NCc1ccco1 1874295053 HRPOVKATPSSCSZ-ZMOGYAJESA-N 479.522 2.999 30 10 JFEE Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874299361 WSNUPIKVNBWVNN-YSURURNPSA-N 498.521 2.613 30 10 JFEE CCCNC(=O)CSc1nncn1/N=C/c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1 1874538161 QFSNVMKOFBDNPD-VULFUBBASA-N 490.630 2.815 30 10 JFEE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)CC(=O)NCCC#N 2074680706 MUPZOYQAQPVDMB-DGOBPVDHSA-N 497.573 2.535 30 10 JFEE COc1nc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2172772380 MQLTWNDKPWNUJS-DFBJGRDBSA-N 450.392 2.743 30 10 JFEE CC(C)(C)OC(=O)N1CCCC12CC(C(=O)Nc1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2180992407 ZLTBLHRNFIPCBR-UHFFFAOYSA-N 458.368 2.894 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)=C[C@H]1O 2188035054 YRHPVCXWGNAFHJ-QZTJIDSGSA-N 462.327 2.648 30 10 JFEE Cc1cnc(N2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2241051447 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Cn1nc(C(=O)NCCCC(C)(C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267545530 KIYIHPJWFQJOHM-UHFFFAOYSA-N 450.389 2.533 30 10 JFEE CC(C)(C)OC(=O)N1CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@H](O)C1 2267563358 AGBRQTYNGGZGID-ZDUSSCGKSA-N 486.827 2.755 30 10 JFEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267586690 NJORFOLMMZZFRU-HNNXBMFYSA-N 466.409 2.803 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267711972 AXBDXRWXAVKKOT-FMKPAKJESA-N 484.449 2.581 30 10 JFEE CC(C)[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267721233 OSCLGPXMLCZWRH-OAQYLSRUSA-N 460.405 2.589 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268646354 YSGMRGOEPDXMLP-YOEHRIQHSA-N 466.771 2.948 30 10 JFEE COC[C@@H](CC(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2268711406 NISWXFDHANCAGN-OAHLLOKOSA-N 468.425 2.902 30 10 JFEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268715970 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Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c1 2282113708 TUNUIKOZCJCLFA-MJGOQNOKSA-N 460.380 2.564 30 10 JFEE Cc1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282125102 RWGQKJZQIPRQLY-AREMUKBSSA-N 450.388 2.661 30 10 JFEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282140882 BFCGROGJWRIDQG-STQMWFEESA-N 458.261 2.797 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282208210 HIQWPEYXUVNRKV-CABCVRRESA-N 480.392 2.630 30 10 JFEE CC1(C)OB(c2cc(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)ccc2F)OC1(C)C 2282480890 NNOGPANAWAMNCN-FQEVSTJZSA-N 498.360 2.892 30 10 JFEE C=C(CS(=O)(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)B1OC(C)(C)C(C)(C)O1 2282489138 CWURTWBIUWLKAU-UHFFFAOYSA-N 480.358 2.913 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282490956 JPJNSHXAUVNYFQ-RBUKOAKNSA-N 480.436 2.851 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 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30 10 JFEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)OC(C)(C)C 2282828393 NPIIJUVYMUXIBS-YOEHRIQHSA-N 484.399 2.659 30 10 JFEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2282835173 QEKHKCUEAVKRAC-ROUUACIJSA-N 478.420 2.677 30 10 JFEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282862273 ZZJYSJLFRHQFNT-DLBZAZTESA-N 480.436 2.910 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282867804 DSEPQMPWWAUBDQ-XYJFISCASA-N 478.420 2.520 30 10 JFEE CC(C)(C)OC(=O)N1CCO[C@@H](COc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2283003491 KFKUZIZIRBPDIY-MRXNPFEDSA-N 464.324 2.909 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2283111720 NAOXWTHSSLTXNF-YOEHRIQHSA-N 480.798 2.597 30 10 JFEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283987628 YWDCQBOLRYPFQN-GOSISDBHSA-N 466.359 2.671 30 10 JFEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)CCOC1 2284036773 ZOAUEDIRDKRBGI-DEOSSOPVSA-N 458.364 2.559 30 10 JFEE CC(C)(C)OC(=O)NC12CCC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(CC1)CC2 2284062332 KBZWQMYQXAEZAU-UHFFFAOYSA-N 478.424 2.815 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284063801 QDMIBTNMSUWRGO-WNSKOXEYSA-N 478.420 2.690 30 10 JFEE Cc1nc(NC(=O)[C@H]2[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]32)ncc1B1OC(C)(C)C(C)(C)O1 2284065554 IWSCWPQMHFAYRI-JODLBCSRSA-N 458.368 2.572 30 10 JFEE COC[C@H](CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21)NC(=O)OC(C)(C)C 2284069129 MMNHYDHTDMRZRV-SFHVURJKSA-N 460.380 2.805 30 10 JFEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C 2286956985 ITCNKUKPOJDXBG-DOTOQJQBSA-N 462.400 2.720 30 10 JFEE C=CC1(N[C@](C)(C(=O)O)[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2325162205 BOEFBXOQGARECY-YNZWCRRESA-N 451.564 2.850 30 10 JFEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1C(=O)O 2328988627 PQYRFLPJZJAYBR-QGZVFWFLSA-N 486.598 2.543 30 10 JFEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cn(C)c2ccccc12 2329012588 OEPKORLCQXNHQT-KRWDZBQOSA-N 481.626 2.995 30 10 JFEE Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c(F)c1B1OC(C)(C)C(C)(C)O1 2352963446 IOJNPMJKKLECBS-GUYCJALGSA-N 452.332 2.646 30 10 JFEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362416223 JUNUMNORXRAYDP-HNNXBMFYSA-N 478.420 2.946 30 10 JFEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2362464285 GCSQFEIJBFGIDE-VAMGGRTRSA-N 494.401 2.639 30 10 JFEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)n1C 2362567209 PQYKIROGJBRTPJ-GOEBONIOSA-N 462.400 2.546 30 10 JFEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 20292400 KGCDOJWZANCCKM-QPSGOUHRSA-N 468.326 2.887 30 10 JFEE CCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)s1 20911589 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N#Cc1ccsc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1219354397 GOEBBHIDZPDMQH-UHFFFAOYSA-N 455.359 2.921 30 10 JFEE C#CCN(C(=O)NC[C@@H](C)CN1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 1228719832 ONWSSLPWGCKGNP-VQIMIIECSA-N 450.377 2.886 30 10 JFEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)n(C)c2)C1 1265207395 AQEORSVTLMESGS-INIZCTEOSA-N 452.540 2.755 30 10 JFEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286315329 WONMDMACHKVGKI-UHFFFAOYSA-N 450.587 2.962 30 10 JFEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(Br)ccc1OC 1286359163 SDLPZXUFPBCRNA-UHFFFAOYSA-N 455.316 2.814 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1286441497 XVSGGQSLZPPUCA-CZIZESTLSA-N 487.333 2.833 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCCO)CC1 1286474040 XUCJBYUOQWAHFT-UHFFFAOYSA-N 450.356 2.765 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@](C)(O)CCOC)CC1 1286474477 GEAQQYSDSAGXCL-OAQYLSRUSA-N 452.386 2.795 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](SC)C(C)(C)C)CC1 1286479915 QCAMWBBUDNHJQM-HXUWFJFHSA-N 479.654 2.725 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC=CO2)CC1 1286488115 LHESQFQOMGNGRC-KRWDZBQOSA-N 473.375 2.694 30 10 JFEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286503723 DWAWLDDEZZPJCL-UHFFFAOYSA-N 466.533 2.910 30 10 JFEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1286509902 YQILWLCYBIYEGW-SFHVURJKSA-N 457.600 2.757 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286540627 BZSRIFOUSSFPPN-GOSISDBHSA-N 490.402 2.938 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(=O)NC 1286549583 ANBYWWKKTADGDX-GUYCJALGSA-N 451.369 2.589 30 10 JFEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1286585548 KERBHFKYCGAYKB-HOTGVXAUSA-N 462.576 2.618 30 10 JFEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1286628901 HNKOZADDIXLAFZ-INIZCTEOSA-N 469.970 2.728 30 10 JFEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286631884 AMEZEIWAECJQBZ-UHFFFAOYSA-N 472.037 2.930 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cccs1 1286716211 AYGVTRMMWRMJSK-UHFFFAOYSA-N 473.628 2.660 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286779270 HNGIVOQGJOJODJ-LLJLJFOGSA-N 473.549 2.634 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286781407 YMQFSQGCHFHHIS-UZLBHIALSA-N 482.564 2.909 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1286818960 VBFBALGBJZEYST-IBGZPJMESA-N 454.600 2.585 30 10 JFEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CCN1CC(F)(F)F 1291279025 HCCVJSMXNAZUIT-LPHOPBHVSA-N 464.492 2.981 30 10 JFEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1291287548 DNLNMYNIJPIKOU-AABGKKOBSA-N 472.565 2.787 30 10 JFEE CN(C)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1298023688 FKKQSMVPSPNMJV-UONOGXRCSA-N 451.394 2.838 30 10 JFEE 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2.788 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@H]1OC 1300657208 HAIWFSLGNLGRSM-MAUKXSAKSA-N 450.381 2.947 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@H]2CCOC2)CC1 1300732430 NEELIWZNJJNSDO-IBGZPJMESA-N 483.638 2.971 30 10 JFEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1300743724 YUAUZZKCYOKJAQ-KRWDZBQOSA-N 469.611 2.824 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1300762381 ITIKLPZJPOGXBC-HXUWFJFHSA-N 472.636 2.646 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1300800869 AWYMTPUPWZHMHI-XMMPIXPASA-N 482.610 2.663 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COC)C1 1300843762 FMWUBTMSEZWWOF-AWEZNQCLSA-N 459.348 2.573 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300877091 UJVWYMNPFDVCDA-GUGJDKNPSA-N 458.559 2.794 30 10 JFEE C=C(C)Cn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300970600 XMTGNYZPNCAFDY-IXDOHACOSA-N 459.551 2.894 30 10 JFEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301175809 JDKQLTBNWBVIQI-UHFFFAOYSA-N 467.574 2.954 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1301222404 WKAPDLCJZCGLAM-CQSZACIVSA-N 462.601 2.883 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1301412835 KPTWPGGYFAHCMW-SFHVURJKSA-N 485.589 2.964 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1301567314 HIXKTFJAWFTQSD-ICSRJNTNSA-N 480.594 2.909 30 10 JFEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)CC1 1301838886 HGUJYWOMNXLZLZ-UHFFFAOYSA-N 463.508 2.806 30 10 JFEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1)C(F)(F)F 1303787513 FZNPSYBPYGMWBY-INIZCTEOSA-N 473.507 2.651 30 10 JFEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)s1 1304608432 DDFSZJJZWQNQKX-INIZCTEOSA-N 485.639 2.857 30 10 JFEE C[C@@H]1CCC[C@@](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)(N(C)C)C1 1304983430 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C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1540897269 FSYPBPHRZYKOAW-GOSISDBHSA-N 451.637 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1540898262 FBRKHDOJYSMELG-QGZVFWFLSA-N 493.540 2.580 30 10 JFEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540910283 DMQZSSIYCIRDGX-MRXNPFEDSA-N 463.405 2.841 30 10 JFEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1540914933 FXIVDFKCUHDIHF-IBGZPJMESA-N 456.616 2.517 30 10 JFEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1540914934 FXIVDFKCUHDIHF-LJQANCHMSA-N 456.616 2.517 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)cc(F)c2C1 1540916714 FBIDDQXASQBEKK-OAHLLOKOSA-N 454.568 2.940 30 10 JFEE Cc1nnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)s1 1543114614 BOVBFCLVUDBDQT-KRWDZBQOSA-N 494.625 2.825 30 10 JFEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]2C3)n1 1543691405 GEKBNVOUCPBGQI-WMIMKTLMSA-N 462.550 2.608 30 10 JFEE 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2.947 30 10 JFEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1587766840 ZJDJJPAZROBVGO-PMACEKPBSA-N 471.627 2.707 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588040355 LWAGSUVLCPJVKR-LJQANCHMSA-N 462.019 2.710 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588079408 WFVWLILYWPNOKN-UHFFFAOYSA-N 468.602 2.837 30 10 JFEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)CC1 1588837381 RXGBPIXBAZJLEI-UHFFFAOYSA-N 456.472 2.515 30 10 JFEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1588844033 IGEKTNLFUJXDIH-CQSZACIVSA-N 458.367 2.924 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(F)(F)F)CC1 1588907482 CPDVVLNBKDETGX-UHFFFAOYSA-N 465.476 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CCOCC2)CC1 1588908695 VFWGMVKLFMTJON-UHFFFAOYSA-N 490.608 2.616 30 10 JFEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1588975192 FCNFHNSGFPXXMW-HSZRJFAPSA-N 466.542 2.529 30 10 JFEE 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466.586 2.727 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC(C)(C)C1 1595758713 BZSOKMFWSJDUCE-MRXNPFEDSA-N 452.552 2.773 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595766560 SYFINIXJIKADSN-UHFFFAOYSA-N 495.049 2.829 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595838695 XWDJRKNYGMUNPM-UHFFFAOYSA-N 492.671 2.584 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595871429 QRXYRPHRUXAIHL-ZWKOTPCHSA-N 484.626 2.834 30 10 JFEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1614079204 BUKYBJVNDVCYET-IATMXGELSA-N 479.629 2.954 30 10 JFEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1617727791 AIWOQUYHMVKLLK-GOSISDBHSA-N 472.958 2.567 30 10 JFEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1617942369 ANZVJFJRZAZBIZ-DXIQSLLYSA-N 454.596 2.737 30 10 JFEE COc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCSC2)cc(OC)c1OC 1619079282 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C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CCC1 1588638993 YGAJAOBTTMELKL-WAUFSOIDSA-N 493.674 2.780 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1cccc(N2CCOCC2)n1 1588659632 MCTTYLDZSZIKTC-UHFFFAOYSA-N 482.535 2.513 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(OC)CCCCC2)CC1 1588872119 XCEQVNGPSQLEAT-UHFFFAOYSA-N 453.587 2.970 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCc2ccco2)CC1 1588892079 WRKMVHQCJLIEDH-HSZRJFAPSA-N 488.592 2.695 30 10 JFEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1589722161 VMPOOLNTIRHXFZ-HNNXBMFYSA-N 464.412 2.649 30 10 JFEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1593889862 TUWWXOROLZZPPZ-HNNXBMFYSA-N 471.961 2.904 30 10 JFEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1594732719 GZZTWMJCTDORQI-JOCHJYFZSA-N 488.658 2.682 30 10 JFEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594766655 AVNDBLBEHNZBAB-YKSBVNFPSA-N 482.629 2.821 30 10 JFEE 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C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722454501 MFKJLLCQGXYXAP-RTWAWAEBSA-N 489.667 2.710 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1722465112 ZAJHELPWYJXRCX-VXKWHMMOSA-N 483.638 2.721 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Cl)cn1 1722468596 QLUCQUGBHBFXIP-JOCHJYFZSA-N 488.017 2.738 30 10 JFEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722488869 NGEWECDYUOOALM-VQIMIIECSA-N 476.419 2.943 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccnn2)CC1 1722529593 XDOJKYOXXGUWQG-UHFFFAOYSA-N 473.379 2.745 30 10 JFEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@](C)(CC)C1 1722534471 NHXLDJAQJKRFBX-XMMPIXPASA-N 452.559 2.790 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1722618615 SQVGRBQEUZFCFB-MSOLQXFVSA-N 467.636 2.888 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1722658992 NWGAROTYFQIXLQ-LJQANCHMSA-N 453.568 2.825 30 10 JFEE 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Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2CCOC[C@H]2NC(=O)OC(C)(C)C)s1 2283929323 JXMNDPLIJXONMA-NVXWUHKLSA-N 480.436 2.902 30 10 JFEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)COC[C@@H](C)NC(=O)OC(C)(C)C 2283942188 GCKUQINGWZYRQW-CABCVRRESA-N 483.440 2.892 30 10 JFEE C[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)N1CCN(C(=O)OC(C)(C)C)CC1 2283959525 NJLNFRJLZBTLNX-INIZCTEOSA-N 479.452 2.605 30 10 JFEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1 2283990083 XVRZNIPTDUZZGG-CVEARBPZSA-N 480.436 2.590 30 10 JFEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319730127 KCJDGHMDEXMBGI-UONOGXRCSA-N 452.386 2.669 30 10 JFEE COc1cc2[nH]c(C(=O)O)c(C=Nn3c(S)nnc(-c4cccs4)c3=O)c2cc1OC 2321646911 GLEOIVMGNRVQDV-UHFFFAOYSA-N 457.493 2.734 30 10 JFEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@](C)(C(=O)O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2325208568 XAJSQBZSYZTXEX-KSFYIVLOSA-N 457.568 2.526 30 10 JFEE COc1ccccc1C=CC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325548710 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Cc1scc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2369531014 SDEVEDMUDIRTMV-WBVHZDCISA-N 480.436 2.703 30 10 JFEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 103220699 NVAPZYYRSQLGRM-RKKARLDVSA-N 481.505 2.747 30 10 JFEE CCc1cccc(-n2c(=O)/c(=C/c3cnn(C)c3)s/c2=C(/C#N)C(=O)c2ccccc2OC)c1 104732828 DZEOLDGOMYHYJD-NPRDCCSHSA-N 470.554 2.589 30 10 JFEE CCOc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCC(=O)O 254909252 ZWCWSCLQZAJGIK-UHFFFAOYSA-N 493.524 2.760 30 10 JFEE COc1cc([C@@H]2c3c(O)nc(N4C[C@@H](C)C[C@@H](C)C4)nc3NC(=O)[C@H]2C#N)cc(OC)c1OC 256032581 HLQKBVOSLLWDPZ-HRJSJKBJSA-N 467.526 2.914 30 10 JFEE Cc1cc(C)c(C#N)c(SC2=C(N3CCOCC3)C(=O)N(c3cccc(N(C)C)c3)C2=O)n1 526695817 CSAMFOOPSMGAHI-UHFFFAOYSA-N 463.563 2.845 30 10 JFEE CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(Cc2cccc(CS(C)(=O)=O)c2)C1=O 749098703 GPILINCBVIHYRV-LJQANCHMSA-N 475.592 2.508 30 10 JFEE CC#CC[C@H](NC(=O)[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC)C(=O)O 757197170 AXGRHLOUGMUUSU-FCHUYYIVSA-N 450.491 2.523 30 10 JFEE CC#CC[C@@H](NC(=O)C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC)C(=O)O 757200395 LBRKPAQYOCZKIC-GAJHUEQPSA-N 464.518 2.913 30 10 JFEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3[N+](=O)[O-])n2)cc1 1083871607 LYVAPOZTGLGDNX-UHFFFAOYSA-N 455.456 2.676 30 10 JFEE CCC(C)=NNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)n[nH]1 1084216041 SHUZNFMLAKKEJL-UHFFFAOYSA-N 453.594 2.764 30 10 JFEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 1167004416 IFDDJMWZUCRMSQ-MOPGFXCFSA-N 458.971 2.910 30 10 JFEE COc1ccc(CN2CC[C@H](NC(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)C2=O)cc1 1221957561 GFPQRXLDVADTMA-QFIPXVFZSA-N 458.522 2.568 30 10 JFEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286357357 IDIUUZGOYCQQIG-UHFFFAOYSA-N 463.579 2.660 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1286391611 FFFOLWQTOYKJMH-HKUYNNGSSA-N 479.002 2.531 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cccc(N2CCOCC2)n1 1286399620 KLMJBZQAXGLNIF-FQEVSTJZSA-N 474.540 2.910 30 10 JFEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nc2cc(OC)ccc2n1C 1286450382 QSLQDJRALWMRKE-UHFFFAOYSA-N 463.567 2.673 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)c2ccsc2)CC1 1286473701 RHSRPKJLFVMTBA-DEOSSOPVSA-N 467.595 2.687 30 10 JFEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286597486 OLWUHYREMFJKDF-WIYYLYMNSA-N 456.566 2.561 30 10 JFEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1286637010 QWMHHZVWLLXBPN-UHFFFAOYSA-N 475.553 2.597 30 10 JFEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286674518 GEGIEEHYIUBACT-UHFFFAOYSA-N 464.614 2.894 30 10 JFEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1286681402 VVXIUYYMNFZUGM-UHFFFAOYSA-N 454.535 2.500 30 10 JFEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286693247 WOEDHNXYVQOZIW-GLDPYIMESA-N 489.642 2.934 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286693557 UJSXAJASZUAXJK-HRAATJIYSA-N 468.023 2.692 30 10 JFEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1286715485 JPTBWEQBRJHYFD-HSZRJFAPSA-N 491.061 2.692 30 10 JFEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286757235 JGKSSSUQMKZMEK-QFIPXVFZSA-N 451.619 2.936 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)OCC(C)C)CC2)cc1 1286793636 IEVGVVXUPTUDSX-UHFFFAOYSA-N 484.601 2.944 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286797788 BETBIMITERKNTO-UQBPGWFLSA-N 485.585 2.820 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCN(C)C(C)(C)C2)C1 1286803151 DEMFLPHBQOMALS-NRFANRHFSA-N 484.645 2.770 30 10 JFEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1287043535 GUCUZSKWYAAOML-UHFFFAOYSA-N 486.642 2.617 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N(C)C1CCCCC1 1287470495 BWFQIPUZYHLPDG-UHFFFAOYSA-N 464.618 2.861 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1nc2c(s1)CCCC2 1288839835 DYQHBHCRZGGBPQ-QVKFZJNVSA-N 477.660 2.596 30 10 JFEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1nc2c(s1)CCCC2 1288839836 DYQHBHCRZGGBPQ-VFNWGFHPSA-N 477.660 2.596 30 10 JFEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C 1292194950 DNSCORNFGILQLI-MOPGFXCFSA-N 488.614 2.743 30 10 JFEE CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1293307544 GEGGYBXAAZKIDQ-PXNSSMCTSA-N 474.656 2.820 30 10 JFEE CCN(CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1295474522 BGKKJCDFJPRRHM-RUZDIDTESA-N 468.602 2.845 30 10 JFEE CO[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)C(C)(C)C 1299714802 DWVQDBOGBGDDJK-SFTDATJTSA-N 466.586 2.911 30 10 JFEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCOC2=O)cc(OC)c1OC 1299852538 HFTYRLDLVSFBBN-DEOSSOPVSA-N 484.557 2.943 30 10 JFEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)cn1 1300223033 HXRRHWPPEZCXMH-UHFFFAOYSA-N 456.510 2.650 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2CC2=CCCOC2)c1 1300331935 UTUQQUARFPXLMA-UHFFFAOYSA-N 464.570 2.599 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)C2CC2)c1 1300336365 DRSKHWMBJBLRJR-JOCHJYFZSA-N 461.570 2.621 30 10 JFEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1300393280 CPFAHBJHKNBOBT-PXNSSMCTSA-N 477.573 2.684 30 10 JFEE C#CCN(c1nnc(C2CCCC2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1300495605 ITNBLVOVHNAXGV-NRFANRHFSA-N 458.632 2.916 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)C2CCC2)c1 1300512301 HTLNGNHTQUQCMB-AREMUKBSSA-N 461.566 2.790 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CC)CCOCC1 1300528163 RFHYDCWKDJSCHF-UHFFFAOYSA-N 458.566 2.955 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccc(N2CCOCC2)n1 1300569109 BRIQPGMTYPBZRW-UHFFFAOYSA-N 486.576 2.705 30 10 JFEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1CCN(CC)CC1 1300618872 NZZNDSZCIMUXLS-UHFFFAOYSA-N 457.648 2.820 30 10 JFEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1300697772 JMEMXRYDRUOGFF-NRFANRHFSA-N 469.586 2.543 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCOC)CC1 1300718507 QUJQCCKJBJWTBS-UHFFFAOYSA-N 467.614 2.871 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1300756556 PRFYOBQKMVBJEC-UHFFFAOYSA-N 468.539 2.959 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1300801961 XPUHKDRCTJTBGI-GJBXTBEHSA-N 466.611 2.826 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1300805435 COFQDKJLSPYALC-OXJNMPFZSA-N 463.401 2.983 30 10 JFEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCOC1 1300829378 AZHXDKKQKWPRFL-AWEZNQCLSA-N 469.409 2.680 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1300886515 YHULUYLEGOTWIW-WTGUMLROSA-N 488.633 2.685 30 10 JFEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1300951084 ZMXRRNIFGUIKPV-KRWDZBQOSA-N 467.636 2.982 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1301340368 ZLFKKNWQNBGIQI-NRFANRHFSA-N 464.570 2.518 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1301438796 DBBBJHDGRIPLPP-HOYKHHGWSA-N 481.626 2.944 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301515403 USSWGQDVTDSWIH-SFHVURJKSA-N 480.535 2.849 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301520930 UDJIVKZAYSSHMA-DENIHFKCSA-N 498.628 2.671 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1301542528 OTKVTPHXDJBGJE-GOTSBHOMSA-N 450.587 2.955 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1301633998 BOWUAUPSVARGRI-UHFFFAOYSA-N 463.586 2.570 30 10 JFEE C#CCN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 1308613669 IKOYUWYHHJGMND-OAHLLOKOSA-N 456.351 2.588 30 10 JFEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1 1309459821 IATLWODXUIIBDH-HSZRJFAPSA-N 457.552 2.682 30 10 JFEE Cn1cnnc1[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1314915922 AFFCEANJPBHNOZ-WAUFSOIDSA-N 482.614 2.746 30 10 JFEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1358904235 ZSWXCNUEQLMCBJ-KRWDZBQOSA-N 453.547 2.832 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358925739 PNKWVNZLTYCYCM-HNNXBMFYSA-N 466.405 2.591 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358966327 MOSDLIAMWLMDMG-LADGPHEKSA-N 483.682 2.810 30 10 JFEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C1CCCCC1 1358979068 BSXQVJIWMGTLJU-QFIPXVFZSA-N 484.645 2.924 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNC(=O)C(C)(C)C 1359023788 WNYMPKUAZSEUMT-UHFFFAOYSA-N 450.543 2.848 30 10 JFEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1359037410 IOMNKRXIBLURLO-UHFFFAOYSA-N 475.563 2.684 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2csc(C(C)C)n2)CC1 1359038333 RZOWUBVLHWHKPR-UHFFFAOYSA-N 452.632 2.718 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCOc2ccc(Cl)cn2)CC1 1359039856 YXWWEACZVQRRTK-UHFFFAOYSA-N 470.936 2.879 30 10 JFEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359055597 JQMJZOMLJQPCPU-IRXDYDNUSA-N 451.600 2.879 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359157346 GOWLFSKNBSINNV-IAGOWNOFSA-N 460.044 2.809 30 10 JFEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1359215415 BEJMFFQMOIXILA-LJQANCHMSA-N 457.600 2.675 30 10 JFEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C(C)C)N1CCOCC1 1359232883 JCKAPOXHAVASEM-IBGZPJMESA-N 475.663 2.526 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1359327349 YXNIJTAUECJCRG-ROUUACIJSA-N 451.637 2.814 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359336421 PIDHQTOLUSPMEP-UHFFFAOYSA-N 484.630 2.571 30 10 JFEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1359635512 GZGWDCDZZDCARG-QHCPKHFHSA-N 452.584 2.994 30 10 JFEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2c(C)nc3cc(C)ccn23)CC1 1440623505 JHJARNJJMKBDGY-HXUWFJFHSA-N 453.587 2.902 30 10 JFEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3ccc(Cl)c(F)c3)c3nn[nH]n3)n[nH]2)c1C 1447456534 RRQOJDMVGMBVQK-SFHVURJKSA-N 455.885 2.901 30 10 JFEE CC(C)[C@@H](C#N)N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 1459880277 HWULLEPUIOHQDK-HXUWFJFHSA-N 453.509 2.646 30 10 JFEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 1463598490 PNMGEVVEHAGJRA-UHFFFAOYSA-N 453.280 2.618 30 10 JFEE C#C[C@@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)c1ccc(Cl)cc1F 1467934929 GSMHKLNAUMDYPR-QUCCMNQESA-N 454.889 2.819 30 10 JFEE COc1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(Br)c1 1468342752 DIKANBBAMBABJT-LLVKDONJSA-N 452.330 2.914 30 10 JFEE C#CCN(c1nnc(C)n1C[C@H](F)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1507624854 FGECLKULMAFYFC-SJORKVTESA-N 455.353 2.687 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1507631773 TVWJCHLHYCPDLR-MRXNPFEDSA-N 472.640 2.897 30 10 JFEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN(C)C(=O)OC(C)(C)C 1507637117 OEPRVPORTRMRPT-UHFFFAOYSA-N 484.988 2.801 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C1CC1)N(C)C 1507650060 AGCZGVPBEYOSQC-OAQYLSRUSA-N 454.619 2.806 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1507737979 FKSDHXPXJZURAF-FCHUYYIVSA-N 482.629 2.814 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1507782077 RQGRVTUQHSMCIY-JKSUJKDBSA-N 495.447 2.709 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507800929 QHJGFTIEVDNLNN-XSYGEPLQSA-N 474.606 2.704 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1507845232 YGDQUWLBKRQGFX-FYYLOGMGSA-N 487.670 2.874 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1508033989 RVAHGKFJELZRDZ-DVECYGJZSA-N 470.595 2.916 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1508034041 SIVQUVSPDUBXFQ-SVFBPWRDSA-N 470.618 2.945 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1508114970 GTNZYGAOCUMROR-NLFFAJNJSA-N 471.602 2.589 30 10 JFEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1508152952 VEXRTHFCSMLGJM-LJQANCHMSA-N 478.688 2.751 30 10 JFEE C[C@@](O)(Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1)C1CC1 1510232263 DFWMINVFNZMDBE-AUUYWEPGSA-N 450.312 2.736 30 10 JFEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1517015418 GPLWBKCXFBRAFT-HXUWFJFHSA-N 479.629 2.812 30 10 JFEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539205680 JEQJHKZOYKNAJH-NHCUHLMSSA-N 474.627 2.602 30 10 JFEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539231672 WSALHFCAQWSNLD-HXUWFJFHSA-N 485.635 2.800 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1539451930 FSGWCEMATHHADL-NFBKMPQASA-N 496.612 2.707 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1539463380 ZPRHUPRBPPBITA-IPJJNNNSSA-N 474.005 2.878 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CCC)CCC2)CC1 1539468345 DUWUCSDFPRJYMR-RUZDIDTESA-N 457.619 2.866 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](Cc2ccccc2)OC)CC1 1539475288 APGFEOLEHYZSMI-QHCPKHFHSA-N 458.566 2.564 30 10 JFEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1539525810 CYKVTVUORPBMDN-UHFFFAOYSA-N 499.666 2.563 30 10 JFEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539715989 NQCSTTBQYJGTAY-NZQKXSOJSA-N 452.603 2.730 30 10 JFEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539924598 VFBRIEOBRBKEIE-HXUWFJFHSA-N 471.675 2.979 30 10 JFEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1540186918 ILZOBSYVMSMFSI-QKNQBKEWSA-N 460.600 2.990 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1540865843 UHPGVDKLHJUOMC-UHFFFAOYSA-N 459.554 2.733 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1540866484 ONZYBRPMJHQVQB-UHFFFAOYSA-N 455.559 2.660 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1540873340 VSHWVVRSCRFCSF-LJQANCHMSA-N 464.595 2.722 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)N2CCOCC2)C1 1540885305 GELIDACNSAACIN-HXUWFJFHSA-N 471.602 2.854 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540899633 VYWVUGNGUVZPMC-GOSISDBHSA-N 463.560 2.705 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1540908221 DCMMUEHFNYNTEJ-QFIPXVFZSA-N 452.621 2.692 30 10 JFEE CC(=O)Nc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1541010844 FPQYSMCFEPXJGV-GOSISDBHSA-N 469.452 2.677 30 10 JFEE CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1541261045 AMNPFQOWFCAMNB-FQEVSTJZSA-N 479.629 2.906 30 10 JFEE CC(C)CN1CCO[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1541570244 BHZAWSDGGPRFQG-DVECYGJZSA-N 485.658 2.756 30 10 JFEE COc1ccccc1CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1542812031 ALXHVCKCHDFAJW-LJQANCHMSA-N 452.942 2.918 30 10 JFEE C#CCN(C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12)[C@H]1CCS(=O)(=O)C1 1545062681 NHYGWXNIWLLAMI-KRWDZBQOSA-N 454.577 2.728 30 10 JFEE CC[C@H]1c2ccsc2CCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1546609447 DVWFHOVVJJXMLB-SFHVURJKSA-N 456.597 2.941 30 10 JFEE Cc1cc(C(=O)N2CCC([C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C(N)=O)CC2)n(C)n1 1548397426 QYWANQMIBDTPEE-RBUKOAKNSA-N 488.514 2.709 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1-n1cccn1 1587639623 MJAHBODKPHQPGH-ICSRJNTNSA-N 492.584 2.673 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1588034396 FKRHHCYNZAPTJZ-KRWDZBQOSA-N 482.553 2.724 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588040135 IOSIRHNDPXCMRM-KRWDZBQOSA-N 489.985 2.887 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCOC[C@H]1C 1588595230 QCHSTZPYDQFURL-QGZVFWFLSA-N 462.392 2.514 30 10 JFEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cc(C)no1 1588646951 QAHIUYSXFXHTGZ-UHFFFAOYSA-N 458.563 2.823 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)C2CC2)CC1 1588968813 QKSKYFXWQUABCO-RUZDIDTESA-N 483.638 2.706 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1589694184 BMQUZJROXNTPKP-CEXWTWQISA-N 496.678 2.875 30 10 JFEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cccc(Br)c2C1 1593696506 RLBKYWZIZALFCG-AWEZNQCLSA-N 484.420 2.764 30 10 JFEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594581818 CHLAUTJZIRUBTN-UHFFFAOYSA-N 487.004 2.891 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2cscn2)CC1 1595475505 DDYHLVHZJGFMJY-QGZVFWFLSA-N 485.589 2.638 30 10 JFEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(C(F)(F)F)n1 1596806014 BNWLNOSYDCEXRH-AWEZNQCLSA-N 468.447 2.979 30 10 JFEE C=CCN(C(=O)c1cc(Br)c(O)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1597171406 YCCLKQKBQCDEOR-JTQLQIEISA-N 453.152 2.733 30 10 JFEE CC[C@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c1 1613421227 BNVDNUJDQGXFRF-ROUUACIJSA-N 451.575 2.573 30 10 JFEE C#C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1ccc(Br)cc1 1628543485 VCTBEVNKJOIXIS-YSIASYRMSA-N 459.315 2.583 30 10 JFEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 1629766357 LDQJHUMFSADBNN-QZTJIDSGSA-N 454.612 2.903 30 10 JFEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN1Cc1ccccc1 1641995604 BRJSNSGPCYXMDT-CTNGQTDRSA-N 454.596 2.531 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)CC1CC1 1649540833 ZFCXAYUXKLKQJC-AWEZNQCLSA-N 451.390 2.990 30 10 JFEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 1652554487 DXAMYMFMLGJBCF-IBGZPJMESA-N 459.610 2.877 30 10 JFEE C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F 1652600973 KSOKBFQPSISXHY-UHFFFAOYSA-N 455.506 2.626 30 10 JFEE N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 1659904494 DHSIDIJKYNSCQX-UHFFFAOYSA-N 453.973 2.865 30 10 JFEE C#CCOc1cc(F)ccc1NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1668996642 RVDLILXXNPXTEL-UHFFFAOYSA-N 451.442 2.658 30 10 JFEE Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 1669822535 AJLLPTPNBCYZHZ-UHFFFAOYSA-N 457.538 2.891 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 1689868712 PBFHNCKBLNETAE-MZEQIWSPSA-N 481.597 2.538 30 10 JFEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1689873717 UHTKLEJTWSAJSK-UHFFFAOYSA-N 463.630 2.576 30 10 JFEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1689966277 OHZDBSOHKZOTRU-AQNXPRMDSA-N 490.649 2.544 30 10 JFEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689978171 OGTKOXJYJBKMFH-ZWKOTPCHSA-N 483.704 2.601 30 10 JFEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689982699 SFKCMDZUCMMSSE-KRWDZBQOSA-N 480.432 2.863 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689991245 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C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690663085 LQSXHMUZYCUADX-YRVVQQKDSA-N 496.431 2.844 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690717340 CJNJBGMTDONTLY-APWZRJJASA-N 450.008 2.872 30 10 JFEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1691274306 AYSNPKJVUYWRRH-FQEVSTJZSA-N 483.642 2.969 30 10 JFEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC(C)(C)O1 1693782891 FTOFXICSYVSOCZ-UGKGYDQZSA-N 479.629 2.763 30 10 JFEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CCN1CCOC 1695143276 GOKRBXQQPWMSQO-XMMPIXPASA-N 489.624 2.809 30 10 JFEE CCN(C)C(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695503605 CBRCUEWTVJQPHQ-UHFFFAOYSA-N 494.987 2.582 30 10 JFEE CN(C)c1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)cn1 1696606299 AILJAPFGDQYTFQ-QHCPKHFHSA-N 482.951 2.813 30 10 JFEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1sc(C)nc1C 1697617904 HTQZQYIWLBKEAJ-KRWDZBQOSA-N 454.556 2.911 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCS(=O)(=O)c1ccccc1 1705478544 DEJGFCDGJZZTDM-CVDCTZTESA-N 460.600 2.641 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705528373 DKIGAUAYCTXSIL-OAHLLOKOSA-N 466.405 2.639 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1705562462 CRZGKUKBIJDGKF-MRXNPFEDSA-N 458.918 2.855 30 10 JFEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1705574778 NCBWUBTXYOHYSJ-FQRUVTKNSA-N 483.613 2.793 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccccc1Cl 1705590814 XEUUIWXGHNNVMG-DNQXCXABSA-N 456.974 2.954 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(N3CCSCC3)CCCCC2)n1 1705631230 XGQJPSXJWCFVJJ-UHFFFAOYSA-N 471.675 2.821 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(CN(C)C)c2)CC1 1705634812 JVDOKUINIRIJGB-UHFFFAOYSA-N 496.457 2.911 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705636141 ZNBHBHSVCIUMBX-QUCCMNQESA-N 474.403 2.514 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC2CCOCC2)CC1 1705693323 FCXAYCCJFCOGOA-JTHBVZDNSA-N 488.677 2.726 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NCC)CC1 1705696392 NNTSADBOMIDWSY-GCJKJVERSA-N 484.601 2.795 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1705700347 SCCRWIFIUXQADD-HMFYCAOWSA-N 455.559 2.864 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705712586 ZICQWONSKJZGSK-HXUWFJFHSA-N 483.432 2.968 30 10 JFEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@@H](C)C1)c1ccccc1 1705744711 MJMRZBRDXGUEMJ-PMVMPFDFSA-N 455.603 2.872 30 10 JFEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705766086 MINQAKHWHGKQIB-XTQSDGFTSA-N 464.526 2.645 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705848674 MUVSJAAEPSFESC-SFHVURJKSA-N 450.465 2.614 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCSC1 1705930957 AEXISKFYVMYMPU-AWEZNQCLSA-N 474.450 2.589 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705932247 QSMPLWGODWSSPS-UHFFFAOYSA-N 469.615 2.671 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1705935945 HBRGYECVRZPGBD-YADHBBJMSA-N 479.691 2.721 30 10 JFEE CC(C)(C)OCc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)no1 1706182167 HYQMJMVOCQYUCW-UHFFFAOYSA-N 463.542 2.870 30 10 JFEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCOC1CCCCCC1 1711221642 GRKJGPBHHQQJMG-UHFFFAOYSA-N 460.604 2.542 30 10 JFEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C(C)(C)C 1711551505 GMLOBMMPHQHLAT-FPOVZHCZSA-N 488.658 2.986 30 10 JFEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cccn2)cc1Br 1711774464 GHYZNJGIBRGMGK-INIZCTEOSA-N 472.347 2.732 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722297071 DCGJKBOFLYZPNG-CVDCTZTESA-N 461.614 2.751 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)C1(OC)CCOCC1 1722298543 DRZJQDWODVDLLM-OAHLLOKOSA-N 467.542 2.558 30 10 JFEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1722332537 ALBQUBQYTYVKBY-IBGZPJMESA-N 470.618 2.913 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1722362431 UMTNRAHDXLPJSO-FQEVSTJZSA-N 467.620 2.878 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722362654 OAOLQIWTZOBCRI-KRWDZBQOSA-N 476.965 2.569 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364179 DYXYRNSRMSFXSY-VQTJNVASSA-N 489.692 2.922 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722367085 UUHPBSHUAGQPDZ-ZBFHGGJFSA-N 455.506 2.880 30 10 JFEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722370659 DGPCUYCJBWPOLB-JTHBVZDNSA-N 499.681 2.833 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722376474 PVQCYJDFYXEZAF-PGRDOPGGSA-N 472.387 2.847 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)NCc1ccco1 1722390658 VKIWHTUEUVJSSS-UHFFFAOYSA-N 453.449 2.919 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1722423148 XLDWCCGLBUAOJE-NRFANRHFSA-N 455.534 2.548 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ncccc2Cl)CC1 1722433082 KWBFKCIMSBLWAS-UHFFFAOYSA-N 490.793 2.918 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1722473500 FOIDNXVJUAKINO-QVKFZJNVSA-N 450.511 2.530 30 10 JFEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722581368 ULHLBOIDIIWKKC-UHFFFAOYSA-N 481.601 2.658 30 10 JFEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCCS(C)(=O)=O)CC1 1722581403 VAFPMBLVEICZKI-IBGZPJMESA-N 497.662 2.814 30 10 JFEE C=CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1722594848 FMZRERWGCONPEF-CEWLAPEOSA-N 459.616 2.960 30 10 JFEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1722609320 VSYGXYVTKDIOSR-BZSNNMDCSA-N 484.667 2.984 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1722610223 MYZGKZIJLKZTJA-UHFFFAOYSA-N 473.647 2.817 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722724339 UDTLDYPCZZYHSP-ICSRJNTNSA-N 489.642 2.693 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1722727285 HJQQDQHBVMMTGG-VXKWHMMOSA-N 474.627 2.611 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC1(O)CCOCC1 1723329891 GPWHRPYTQBYBMZ-UHFFFAOYSA-N 456.566 2.746 30 10 JFEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(OC)CCOC2)c2ccccc2c1=O 1728162920 BAQTYEKKFMJNMP-BXKMTCNYSA-N 465.558 2.609 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2sc(C)nc2C)c1 1740563348 SXRKGQXIYXWETA-LJQANCHMSA-N 477.594 2.601 30 10 JFEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740595906 MIPQEFFDSHFKEP-HXUWFJFHSA-N 466.586 2.861 30 10 JFEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(Cl)c2c(c1)OCCO2 1740612859 KTJWXZRVAITCKU-UHFFFAOYSA-N 457.943 2.812 30 10 JFEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740685869 AECIYRWUUDSCLG-FPOVZHCZSA-N 468.602 2.995 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740699473 INTUZXUMZGWVAT-UHFFFAOYSA-N 480.657 2.810 30 10 JFEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCCC1 1740716827 ASRWAVSSQUUPIA-HXUWFJFHSA-N 473.668 2.783 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1740732192 UYRFWVYPXVFWHX-NFBKMPQASA-N 489.667 2.537 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740733792 LSHYPCYLYCBINW-UDNALAFJSA-N 458.566 2.972 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740759619 DJILWOLJSJJLQD-UGKGYDQZSA-N 467.618 2.668 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)(C)C 1740769700 RJHGIOUOMXVMJX-UHFFFAOYSA-N 476.647 2.760 30 10 JFEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740796347 VUWHIBVUESUEPT-UHFFFAOYSA-N 470.647 2.820 30 10 JFEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C)c1ccccc1 1740801999 FMCVKQRZWOFXDH-OAQYLSRUSA-N 471.583 2.862 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1740918278 NFHLLQOIWYFLDO-UHFFFAOYSA-N 466.630 2.828 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1740950624 BDDDCPBRBIJOAR-UHFFFAOYSA-N 450.534 2.514 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)nc2)c1 1748695168 ZCBUAGUTEUTQMW-UHFFFAOYSA-N 480.576 2.829 30 10 JFEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1748717516 BMJIBXWXZWOJBK-QHCPKHFHSA-N 480.613 2.585 30 10 JFEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1748724034 IEYXGKYMZHVEEC-UHFFFAOYSA-N 467.389 2.658 30 10 JFEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC(CNS(C)(=O)=O)CC1 1748743841 MYQGERCUKHJBLP-UHFFFAOYSA-N 480.432 2.887 30 10 JFEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1748784775 TYYMIVVOCYDVBT-MRXNPFEDSA-N 475.619 2.611 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748808219 BJXWMCYOGHBALF-AEFFLSMTSA-N 479.002 2.660 30 10 JFEE C#CCN(c1nnc(COc2ccccc2CC)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748823938 FWFCORHYYNQOMX-GGAORHGYSA-N 499.681 2.778 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](F)COC)CC1 1748978271 JLAMRTNFAZVYOV-HNNXBMFYSA-N 454.319 2.586 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1749016465 FDAFYYOXTAGOJI-SFHVURJKSA-N 494.587 2.780 30 10 JFEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1749170378 MJZRUDDANWJZEH-RBUKOAKNSA-N 452.669 2.945 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC 1749171066 PSBXBUWUGJDTNV-KRWDZBQOSA-N 470.640 2.692 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749214518 ZDYFMSWJYAVTNV-HXUWFJFHSA-N 465.396 2.601 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1749402116 KEKDHQJTLCLCBD-ZWKOTPCHSA-N 457.666 2.689 30 10 JFEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749414841 JTUKWGZTEOSUIS-KRWDZBQOSA-N 462.576 2.927 30 10 JFEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749498692 FZSRNMMYKLIQDP-IFMALSPDSA-N 473.643 2.898 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1749531347 IRUCTQIPCROGPT-APWZRJJASA-N 492.696 2.801 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1749600527 BXEIOHKCFXCBFO-IQVDJAOASA-N 467.636 2.900 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749664513 PUNXCBGBHODHJD-UHFFFAOYSA-N 454.575 2.860 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC2CCCCC2)C1 1749719193 PMEVOTPRSOLYFV-JOCHJYFZSA-N 464.570 2.959 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCSC2)C1 1749721601 OQNFPTOZLSUGEE-FXKZBUDASA-N 479.647 2.698 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cccc(Br)c2C1 1749730795 QVWSTUYCPSCMPV-UHFFFAOYSA-N 491.415 2.605 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(c2ccnn2C)CC1 1749736986 VQSHHVSGIQJXSG-UHFFFAOYSA-N 472.590 2.726 30 10 JFEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccc(F)cc1 1751121120 BBBQMHVCOQDGGD-OYHNWAKOSA-N 453.453 2.974 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)NC(=O)OC(C)(C)C 1751171823 GXQRDRMOVOCMAS-MRXNPFEDSA-N 490.630 2.989 30 10 JFEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)c1C 1751324211 CNDTXLLDPQICHQ-RBUKOAKNSA-N 473.599 2.731 30 10 JFEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760130492 KIAFLQRMMBNBNG-FQEVSTJZSA-N 485.658 2.655 30 10 JFEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760134418 MGDKNZWSCJHAQU-UHFFFAOYSA-N 459.554 2.578 30 10 JFEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760137245 HOICYWVYHQVMMS-FQEVSTJZSA-N 453.591 2.799 30 10 JFEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760158659 PJLJSHPXMXCBDE-KRWDZBQOSA-N 466.369 2.919 30 10 JFEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1760181682 ZWKVXIVCWCLQSF-GOSISDBHSA-N 471.608 2.702 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760186088 KJMUVTRLMLKZMJ-DHIUTWEWSA-N 471.671 2.969 30 10 JFEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccccc1)N1CCOCC1 1760239176 YRDCDRNBMVADIJ-VABKMULXSA-N 453.587 2.535 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCN(C)CCOC)CC1 1760255138 DBJULSGJOVZDIZ-FQEVSTJZSA-N 470.687 2.855 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCOCC2(C)C)CC1 1760270837 BYBCJOAREGAXQU-UHFFFAOYSA-N 492.668 2.530 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1CN1CCOCC1 1760290245 ZRRNFMHKSLDFRD-QFQXNSOFSA-N 467.614 2.875 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760325522 QKNSYCDGWXYIOP-NQIIRXRSSA-N 479.672 2.820 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F 1760336717 HMLBSSAAHIMUFT-FXAWDEMLSA-N 481.594 2.620 30 10 JFEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760428455 WPPQSVPCIPSABQ-FDFHNCONSA-N 458.651 2.765 30 10 JFEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760440984 VOJXJEGRILQIRP-IBGZPJMESA-N 473.647 2.695 30 10 JFEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760467176 DRUOHVUKRCAIFR-IBGZPJMESA-N 453.509 2.957 30 10 JFEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](CC)[C@H](N3CCOCC3)C2)cc1 1760530699 UHIOMLUWMZEMHT-JTHBVZDNSA-N 482.629 2.576 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 1760557801 WPEFPHZWRNZVDG-LJQANCHMSA-N 498.378 2.662 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1760558584 UAIWKNURRRZIDT-FCHUYYIVSA-N 473.643 2.831 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCN2CCCCC2=O)CCOC1 1765825497 FICJOBPVWPBAQS-VWLOTQADSA-N 466.586 2.841 30 10 JFEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)cc1OC 1768495264 AJLXGFVBLWIKHU-HSZRJFAPSA-N 456.522 2.807 30 10 JFEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)C1 1769441180 DOMVFCKOEPBDGP-MHECFPHRSA-N 453.543 2.669 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)C[C@H](C)O1 1770940211 DYKBFIHRHBRXIS-YYWHXJBOSA-N 450.543 2.953 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(N(C)C)cc2)cc1C 1862407723 UWZRTCOERNZFII-QFIPXVFZSA-N 451.523 2.784 30 10 JFEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2[N+](=O)[O-])ccc1F 1862505504 DCTXUGPKOSMSGX-OAQYLSRUSA-N 469.469 2.953 30 10 JFEE NS(=O)(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 1862674951 YMOWPVOXUIJRCD-OAQYLSRUSA-N 482.489 2.957 30 10 JFEE C=CCN1C(=O)C(NCc2ccc(C(=O)OCC)cc2)=C(c2ccc(OC)cc2OC)C1=O 1863753561 HAEKZCIQOBTDPK-UHFFFAOYSA-N 450.491 2.936 30 10 JFEE O=C(Nc1ccc2nc[nH]c2c1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869928515 NBGHDNVDADRLAP-HXUWFJFHSA-N 463.494 2.991 30 10 JFEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870109094 JBEPYXPVICLHDV-HNNXBMFYSA-N 464.869 2.541 30 10 JFEE CCOc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1874210591 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470.499 2.686 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1358995847 IIYQWAUMPXNOMD-UHFFFAOYSA-N 483.619 2.579 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1359017910 WHCFYXMPELIEBQ-UHFFFAOYSA-N 473.599 2.745 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@H]2CCOC2)CC1 1359032960 KRCXLHUIRYFPQH-KRWDZBQOSA-N 474.403 2.898 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3OC)CCC2)CC1 1359040389 SLUVCRYDCDCPPX-UHFFFAOYSA-N 492.624 2.513 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCSC2(C)C)CC1 1359046041 BNJFCGHBIRGVEH-HXUWFJFHSA-N 452.628 2.761 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)CC1 1359046646 AIFSNUZEQWSSCZ-OAQYLSRUSA-N 464.595 2.590 30 10 JFEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359124416 CFVLKFHLNIFORM-UHFFFAOYSA-N 455.559 2.517 30 10 JFEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1359125930 ZNOQWPGWQDPELI-UHFFFAOYSA-N 460.966 2.835 30 10 JFEE 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473.643 2.563 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1508078331 XTKFTFIDBBDIRS-UXHICEINSA-N 450.587 2.792 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)CC(C)(C)C1 1508089059 IKUPJDNYENTKHM-GOSISDBHSA-N 452.607 2.627 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1508105318 QQRWAEHHURYRHL-CVDCTZTESA-N 460.600 2.799 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(CC)nn(C)c2OC)C1 1508125913 JLHQVDLKBMDODG-KRWDZBQOSA-N 457.604 2.768 30 10 JFEE C=C[C@H](COC)NC(=O)c1cc(I)cc(I)c1 1524080566 ZLYFGBSCAPABKD-LLVKDONJSA-N 457.049 2.827 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC2(OC)CCC2)c1 1539038874 VTADUAZAMLGJOK-UHFFFAOYSA-N 464.570 2.530 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1c2ccccc2C[C@H]1C 1539290671 JYBZDHWDXDCAGX-HXUWFJFHSA-N 453.550 2.840 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@H](C)c1ccccc1 1539323442 GXWLBZOBPVBGIM-IFMALSPDSA-N 454.596 2.811 30 10 JFEE 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1539642997 KGPLQZPNHUZMHE-KNKQGSTJSA-N 451.527 2.709 30 10 JFEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539735639 MIQHLUKCIPZMHE-KRWDZBQOSA-N 459.547 2.832 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COCCO1 1540121167 ZBDKTIXFWJVFHW-HXUWFJFHSA-N 464.526 2.542 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540871020 BQSVGYSNSLDRIE-FXAWDEMLSA-N 498.584 2.538 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1540875848 ZQJQZOHLAHTOAF-HXUWFJFHSA-N 453.587 2.853 30 10 JFEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1N(C)CCCC1(C)C 1541364219 BQPPHFFIGFWLFE-AZUAARDMSA-N 451.623 2.899 30 10 JFEE CCc1nsc(N2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CC2)n1 1546570434 FZSVDVPYSUDNCR-UHFFFAOYSA-N 493.641 2.862 30 10 JFEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1546825741 FUVNJVLAYRHZGF-RBBKRZOGSA-N 479.629 2.670 30 10 JFEE CSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)ccn1 1555873279 ANCQNEWPPPEMGM-GOSISDBHSA-N 484.607 2.517 30 10 JFEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1-n1cccn1 1587639629 MJAHBODKPHQPGH-UYAOXDASSA-N 492.584 2.673 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(C)=O)nc2)c1 1587689963 VCIRYHLNDLCZST-UHFFFAOYSA-N 468.521 2.731 30 10 JFEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1587754697 JKROQPIGFKABET-SFHVURJKSA-N 484.626 2.909 30 10 JFEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1587847861 VRRVCFYMBLLAQV-UHFFFAOYSA-N 458.566 2.962 30 10 JFEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1Cc1ccc(C(N)=O)nc1 1588251538 QSNRLJSHWPRFLI-UHFFFAOYSA-N 493.365 2.625 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588899506 QMDSBZCJHUXARO-GOTSBHOMSA-N 465.598 2.525 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnc(C)s2)CC1 1588907353 AQQWHOVBBDCBLX-UHFFFAOYSA-N 450.568 2.733 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2c(C)noc2C)CC1 1588907722 DXQVOINANCYCJL-UHFFFAOYSA-N 492.580 2.776 30 10 JFEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1589027805 USAKWDPCFNXKFB-UHFFFAOYSA-N 493.008 2.678 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1589505745 NZGPAOYXPVIDIC-CDMIOBSGSA-N 455.559 2.610 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C 1589514960 KGDXUYYMHTYJRJ-PGRDOPGGSA-N 455.559 2.658 30 10 JFEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1593666642 NBOUHIYMIPPCKC-UHFFFAOYSA-N 471.359 2.852 30 10 JFEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1594483942 JLIICIBOPRBDKZ-UHFFFAOYSA-N 451.579 2.715 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCC1 1595094093 NDWHEAHZLSVEEA-UHFFFAOYSA-N 465.583 2.710 30 10 JFEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1595569248 CPZLNZRBDYGLIH-OAQYLSRUSA-N 451.527 2.545 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)N(C)CC)C1 1595743723 FDAFNFHYYRCNFJ-SFHVURJKSA-N 478.391 2.879 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1595777816 QRQLNFMJCDLDPO-NRFANRHFSA-N 460.600 2.950 30 10 JFEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCCC1 1595884796 TXTNVHNUHOZYTC-SFHVURJKSA-N 457.666 2.547 30 10 JFEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)C1CCN(C)CC1 1597348689 BXMLQWJRBOPACK-UHFFFAOYSA-N 453.564 2.860 30 10 JFEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1611750251 HWYSBEALQZOUPR-DNVCBOLYSA-N 479.990 2.625 30 10 JFEE Cc1cccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)n1 1612223269 FZIJKHDXUNATEL-OAQYLSRUSA-N 450.568 2.776 30 10 JFEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3CCCC(F)(F)F)CC2)c1C#N 1612472127 IAGAXWBFUOZXSA-UHFFFAOYSA-N 473.507 2.847 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1)S(C)(=O)=O 1615282494 GBPUDVVZKJIMAA-UYAOXDASSA-N 486.642 2.882 30 10 JFEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)n1 1617667652 FLJPLHCSFOOXNP-UHFFFAOYSA-N 453.326 2.697 30 10 JFEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 1618408528 HPXCCWVJTWTRJI-CQSZACIVSA-N 455.943 2.723 30 10 JFEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1619316464 GZIMAAITBUYTMA-IBGZPJMESA-N 473.599 2.821 30 10 JFEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1619767959 BYEAOGCGDIRNSP-DFBJGRDBSA-N 452.603 2.915 30 10 JFEE C=CC[C@]1(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)CCCN1C(=O)OC(C)(C)C 1637125637 UPHVSRXCVDPYON-LHSJRXKWSA-N 451.955 2.876 30 10 JFEE C#CC[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)C(=O)OC 1637696860 JYOXVINBBPJQCR-NRFANRHFSA-N 456.564 2.757 30 10 JFEE C[C@H]1[C@@H](C)N(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)N1Cc1ccccc1 1639708778 HEXWCRRVLFMZEA-CEXWTWQISA-N 454.596 2.625 30 10 JFEE C=CC[S@@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 1646626088 SOCBSQPZMYEZKZ-VWLOTQADSA-N 457.371 2.967 30 10 JFEE C#CCN(C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1)[C@@H]1CCCc2ccccc21 1669371410 SMEKQJDUYSSUOG-HSZRJFAPSA-N 455.580 2.834 30 10 JFEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1689897763 HSGQGKGGAOJAQX-UPVQGACJSA-N 477.657 2.884 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1689992320 JIUFOVSGFRQYQZ-FQEVSTJZSA-N 485.610 2.800 30 10 JFEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689996866 PZKGOFKMCWSTBW-HXUWFJFHSA-N 486.638 2.696 30 10 JFEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)N1CCOCC1 1690008856 QRYUXFCMXCKUMI-UHFFFAOYSA-N 486.414 2.900 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(C(=O)OC)CC1 1690046348 BAKQDHPQVHNVJK-QFIPXVFZSA-N 463.538 2.732 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@H](C)N2CCCCC2)CC1 1690114611 AITYZQYBNIQRQR-NRFANRHFSA-N 496.656 2.991 30 10 JFEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690183374 VXSBBAQTWZPUQU-HDICACEKSA-N 481.416 2.836 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690214836 ZCZIICRYSAZSFH-GSRZOBFVSA-N 459.591 2.831 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690253261 OITPPEARJNFLBN-CBQOVEMMSA-N 471.627 2.811 30 10 JFEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690306720 CPGJREJMZPIDDB-OAHLLOKOSA-N 469.405 2.924 30 10 JFEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCCc2ccccc2)CC1 1690398821 HMIKKWLOEXHDCE-RUZDIDTESA-N 453.587 2.692 30 10 JFEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)C1)c1ccccc1 1690447465 PXFDAYXYHXOCBQ-GOSISDBHSA-N 450.568 2.566 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690502722 DNCPDDDXTVQLAL-MRXNPFEDSA-N 499.431 2.932 30 10 JFEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690507558 PHTMFPBEHXIFJL-UHFFFAOYSA-N 452.563 2.645 30 10 JFEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1690527012 IGFXNMRWNGSBMV-HXUWFJFHSA-N 482.585 2.543 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1690556173 OPFOUMBIEPYVLR-OAQYLSRUSA-N 490.626 2.661 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)(C)C)CC1 1690659235 NILMBEPIPMGHQT-UHFFFAOYSA-N 467.618 2.760 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC2(CCC2)C1 1690670560 DYPMVXUKVGLWAD-UHFFFAOYSA-N 488.633 2.702 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1690681521 SATRLMMZXUXOFN-FQEVSTJZSA-N 466.586 2.621 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1690720302 FIDOSCNENNVDKX-RXVVDRJESA-N 453.568 2.907 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCOCC2(CC2)C1 1690720577 MQULAXWUOMWCAP-UHFFFAOYSA-N 481.416 2.925 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1690742271 LIOYQVSHHKPINV-MRXNPFEDSA-N 468.583 2.593 30 10 JFEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)C1 1690795819 FOWCYGAAMQHFEU-LJQANCHMSA-N 465.583 2.733 30 10 JFEE Cc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)cn1 1693088002 DWWIRGXQFDJFKG-UHFFFAOYSA-N 465.583 2.687 30 10 JFEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2cccc(C(F)(F)F)n2)n1 1693199738 FCTCCIKFMZOBBI-HNNXBMFYSA-N 459.432 2.870 30 10 JFEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cc(Cl)c3c(c2)OCCO3)CCOC1 1696023439 GIXHKXMZECBTCQ-QRQCRPRQSA-N 461.950 2.999 30 10 JFEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1696774600 AACNLZBVTIERKN-UHFFFAOYSA-N 461.452 2.562 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OCCO)c(OC)c1 1705505083 GZNPNQXIPSXULR-YSIASYRMSA-N 499.612 2.935 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[S@@](=O)C(C)(C)C)c1 1705507599 HSYMUOJJDPUIET-PGUFJCEWSA-N 495.653 2.743 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2)c1 1705507714 JITMPGUYHDVIQZ-FQEVSTJZSA-N 466.611 2.742 30 10 JFEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 1705534670 OBRDSVNCAKYENE-IBGZPJMESA-N 477.606 2.835 30 10 JFEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1705552298 XOPRKURSMABQGW-FCHUYYIVSA-N 455.628 2.552 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705570285 NXSHFUFWUWHKMK-IBGZPJMESA-N 474.583 2.753 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1705619837 CUWYPNHNIUAJQM-HXUWFJFHSA-N 475.590 2.580 30 10 JFEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OC(F)(F)F)CC1 1705642114 HNAZFBBHONWWRO-UHFFFAOYSA-N 473.503 2.842 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705646191 UEYOQZVMNAMIEU-IBGZPJMESA-N 481.988 2.855 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1705700346 SCCRWIFIUXQADD-FGSXEWAUSA-N 455.559 2.864 30 10 JFEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705731147 SIUOYOVLJBXPMQ-LJQANCHMSA-N 492.466 2.845 30 10 JFEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1705754888 HKPXKGVMMPRLNX-QGZVFWFLSA-N 466.007 2.658 30 10 JFEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705757854 AFGIVCCEQKRULW-GOSISDBHSA-N 458.950 2.699 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS(=O)(=O)CC1 1705828066 ZQEWNAZXUHMLBF-UHFFFAOYSA-N 485.404 2.544 30 10 JFEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705890935 QIMZLELIBWJPQV-LJQANCHMSA-N 474.606 2.611 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1705896662 UIKOJTAZPDLRGZ-UHFFFAOYSA-N 487.402 2.601 30 10 JFEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705901256 GWSFZZSGZZRHBA-UHFFFAOYSA-N 476.459 2.963 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCO[C@@H](C)C2)C1 1705926733 JTCPJVBZKVZTKK-GHTZIAJQSA-N 460.648 2.916 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1705927173 SBFXKOFHOAQZTH-ICACTRECSA-N 451.596 2.972 30 10 JFEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CCOC)C1 1705944133 VZOQMXDYVQMNKI-KRWDZBQOSA-N 454.600 2.974 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNC(C)=O)CC1 1705945719 QAPDNVHOVXIXRB-UHFFFAOYSA-N 484.674 2.724 30 10 JFEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1710775538 CFFWXCZTFNOUFB-QUCCMNQESA-N 478.519 2.943 30 10 JFEE CN(C)C(=O)COc1cccc(Cn2c(CC3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710990962 AUHDELQRNCDNIC-XMMPIXPASA-N 454.550 2.968 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1722281127 MCBKTMNQYGYYPK-MRXNPFEDSA-N 473.599 2.673 30 10 JFEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722291535 QZWJYPZAJSQMML-UWJYYQICSA-N 458.557 2.548 30 10 JFEE C#CCN(c1nnc(COCC)n1Cc1ccc(C(C)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1722369886 IKTJXHKGJZPKPK-SFHVURJKSA-N 452.527 2.601 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1722390873 WRKFACOCCYPYPG-FQEVSTJZSA-N 474.565 2.826 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nnc(CC)s2)CC1 1722440732 CTKFAFRUMXVZPH-UHFFFAOYSA-N 451.600 2.691 30 10 JFEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722520217 YNBXIAZIDYDAOI-MRXNPFEDSA-N 451.568 2.994 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1722707240 JXNPYUJBESBTSX-QGZVFWFLSA-N 459.597 2.886 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1722729271 HQBPULDRUGEMKW-OAQYLSRUSA-N 453.568 2.912 30 10 JFEE CC(=O)N1CCN(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)CC1 1722795320 HBMSCKCLHZTWII-OAQYLSRUSA-N 479.629 2.939 30 10 JFEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCCC1=O 1722874436 FQDOBCLSOSYYIS-RBUKOAKNSA-N 486.642 2.867 30 10 JFEE CC[C@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1727682080 AXFFKUZGBYJNQP-XLIONFOSSA-N 474.656 2.820 30 10 JFEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1727874745 HXXUPNGJMWGBDW-CTNGQTDRSA-N 484.626 2.527 30 10 JFEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOc1ncccc1Cl 1729064904 DLJGGIAAVNNQAJ-UHFFFAOYSA-N 468.949 2.535 30 10 JFEE C#CCCCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740597131 PPENRNSULSYHTN-XMMPIXPASA-N 456.591 2.659 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1740621282 KYFGQMFSHXZMTJ-LEWJYISDSA-N 485.654 2.701 30 10 JFEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1740623774 APBLYCRXEZFLJL-QFIPXVFZSA-N 496.637 2.522 30 10 JFEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)N1CCOCC1 1740665536 GSJUJMOIAPVYAA-INIZCTEOSA-N 462.392 2.896 30 10 JFEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740715761 FJBFGSNHETUYSQ-CTNGQTDRSA-N 458.676 2.729 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740757872 SDJCCAVFXYOUPO-ONTIZHBOSA-N 488.658 2.738 30 10 JFEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740800365 BVQRYZDYOVUJHN-QGZVFWFLSA-N 465.385 2.967 30 10 JFEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740870898 MANIQQMEFCHXHC-DLBZAZTESA-N 482.676 2.771 30 10 JFEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740881081 WQTNHIWKKDFHAE-UNMCSNQZSA-N 489.642 2.788 30 10 JFEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(C)(C)OC[C@@H]1C 1740884692 JNGBRIVZJQIOEI-KRWDZBQOSA-N 452.559 2.788 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1740914841 LLIOHUWYNWJIBX-RDGATRHJSA-N 499.637 2.962 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740951791 NUTDBDJQWIJKTA-APWZRJJASA-N 499.547 2.944 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(OC)ccc1Br 1740964952 BIPXAHVKYOBACC-QGZVFWFLSA-N 464.364 2.839 30 10 JFEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740999821 HFSGRRKWEAYMGE-IBGZPJMESA-N 495.653 2.899 30 10 JFEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1741000744 VPBAPXSLAPYVPK-OAHLLOKOSA-N 490.577 2.925 30 10 JFEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1741002481 IYITZJKHDXXVMX-IBGZPJMESA-N 479.647 2.561 30 10 JFEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1744390220 AUSZFEIRPYFDMI-CYFREDJKSA-N 456.566 2.830 30 10 JFEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1747404352 AAHCNIFVIMUHRV-LJQANCHMSA-N 456.572 2.584 30 10 JFEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1747422305 HRIQDQLDZREAFW-FQEVSTJZSA-N 499.685 2.799 30 10 JFEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1748686254 LSMDEELBSDPOBN-NRFANRHFSA-N 484.608 2.772 30 10 JFEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1748790830 NJFRQOLACDOQQH-CYFREDJKSA-N 459.591 2.800 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C 1748795133 YRLWMFVZGVNCKG-WIOPSUGQSA-N 450.631 2.773 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1748809568 NODGVQOEXWNSBX-CVDCTZTESA-N 486.619 2.550 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748814937 LUUVWQCISBFLJK-XLIONFOSSA-N 464.538 2.667 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCn2ccnc2C)CC1 1748984882 USERAGAKDZNKIX-UHFFFAOYSA-N 472.366 2.807 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ncnn1CC(F)F 1749133343 KPONJHBFKQYZES-UTKZUKDTSA-N 458.517 2.738 30 10 JFEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1749193887 SBMRBZFMKPADEU-QMMLZNLJSA-N 475.615 2.783 30 10 JFEE C=C(C)Cn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749207574 NOBPQZFOIXCIFI-AREMUKBSSA-N 488.677 2.808 30 10 JFEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1749652089 HTNTUMPTDCPQNE-IBGZPJMESA-N 480.642 2.863 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1749669307 GRBBYPLDKOKVHD-PNYFIKQUSA-N 458.607 2.930 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cccn(CC)c2=O)C1 1749699843 DCKWCUIIUGCVTF-FQEVSTJZSA-N 465.554 2.974 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC#N)CC1 1749726761 CYJVQUAOBHSQPQ-UHFFFAOYSA-N 459.572 2.693 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1749729768 RRHBXDIACBOKOG-UHFFFAOYSA-N 482.654 2.985 30 10 JFEE Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C2)nc1 1751546394 DYWRCZOKICGGBL-OAQYLSRUSA-N 486.580 2.854 30 10 JFEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1760157703 YZPLUORFQOOZPR-UHFFFAOYSA-N 466.611 2.996 30 10 JFEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760158676 PQOGIDOHBBGYMW-UHFFFAOYSA-N 468.577 2.544 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1760208994 QWQHVWHFTPXSTL-UHFFFAOYSA-N 458.570 2.801 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC1CCCC1 1760210016 LZPXUGFLAKBGHF-LJQANCHMSA-N 469.611 2.721 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760262718 XTCBVKUMILTEDD-HXUWFJFHSA-N 496.965 2.541 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)C1(OC)CCOCC1 1760299200 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C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)CC)CC1 1540899217 HLFRCCZDLHVUNP-UHFFFAOYSA-N 456.616 2.728 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(OC)c(OC)cc3CC2)nnc1C(C)(C)C 1540908645 KRLCGUHUHIFXGX-UHFFFAOYSA-N 462.616 2.799 30 10 JFEE C=CCS(=O)(=O)CCn1c(N(C)C2Cc3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540909144 ZNCLVGSYHNIEQO-XMMPIXPASA-N 474.627 2.523 30 10 JFEE CC(C)(C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541195779 CLWWCJFULJDPJW-UHFFFAOYSA-N 476.560 2.982 30 10 JFEE CCc1ccccc1OCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)OC 1546314178 BLLSWFIWGPNUOE-RTBURBONSA-N 476.585 2.831 30 10 JFEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1546810440 FCGBONUJNMYTGL-FYYLOGMGSA-N 477.613 2.960 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cc1 1556799914 ZBRKYFGJDDZBDK-QGZVFWFLSA-N 457.321 2.516 30 10 JFEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCCCC)CC1 1587847535 MWADJECRVZPMDP-UHFFFAOYSA-N 454.575 2.942 30 10 JFEE 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C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C)COC1 1595290507 GNVSCZHALWBPCX-UHFFFAOYSA-N 452.559 2.911 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595773298 XCHVNLBHEXKFLL-MRXNPFEDSA-N 477.978 2.670 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1595785049 QHVZCRSSIMOYCO-UHFFFAOYSA-N 487.029 2.917 30 10 JFEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)cs1 1613869691 FPVCXKLTHGFYAE-UHFFFAOYSA-N 485.639 2.550 30 10 JFEE C=CCn1c(S)nc2cc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)ccc2c1=O 1629738464 QSAZOXIBIUMEFK-UHFFFAOYSA-N 450.520 2.622 30 10 JFEE Cc1c(Br)c(C)n(NC(=O)c2n[nH]c(C3CC3)c2Br)c(=O)c1C#N 1641510825 HLPYJIDPFGUBCG-UHFFFAOYSA-N 455.110 2.846 30 10 JFEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1643086007 BKUWTGYREFMDKJ-DBVUQKKJSA-N 466.504 2.870 30 10 JFEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1 1661223713 CFDUHFCBECXKJQ-UHFFFAOYSA-N 452.305 2.607 30 10 JFEE C#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1665243264 SFHMQGVNEBWCLK-JOCHJYFZSA-N 455.580 2.836 30 10 JFEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)C2)nc1 1683290368 DSMHOZGCDQQVFS-OAHLLOKOSA-N 459.300 2.850 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1689982434 NDHPNKHAHBCATF-OAQYLSRUSA-N 469.611 2.775 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(c3ccccc3)CC2)CC1 1690137280 SGNKXXGEZUXJRM-UHFFFAOYSA-N 476.625 2.894 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690138361 ZSCZSPUAFYIOKD-IZVMNLJQSA-N 495.624 2.541 30 10 JFEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCCC)CC1 1690219594 HNJUYKQDXDRMAB-LSDHHAIUSA-N 464.430 2.582 30 10 JFEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1690264688 AGGSPPDEWHHLMB-SONOPUAISA-N 450.630 2.509 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690310964 AEEXXFFJHWPPDQ-JOCHJYFZSA-N 488.677 2.678 30 10 JFEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(c3ccccc3OC)C2)CC1 1690364158 KSSKFJOZONBZFT-RBUKOAKNSA-N 474.631 2.580 30 10 JFEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCCNS(C)(=O)=O)C1CC1 1690538503 KEWOQNAVMOEFMI-UHFFFAOYSA-N 472.384 2.941 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690682497 QBTJTVJAYRYBME-WBVHZDCISA-N 451.449 2.610 30 10 JFEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1690683418 KFXZQTVDCMXQQL-OAQYLSRUSA-N 491.614 2.535 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCN2CCC)C1 1690685175 XDYWVFBAMWUWGR-WOJBJXKFSA-N 453.591 2.971 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cnnn2)C1 1690690187 SVIAMZIWLHIVAL-QGZVFWFLSA-N 459.352 2.566 30 10 JFEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)O 1692819109 GGNFHOLAGUWWTD-QGZVFWFLSA-N 465.533 2.921 30 10 JFEE COc1ccc(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1697394245 HXGXFPWFGDCUEQ-NQIIRXRSSA-N 462.554 2.889 30 10 JFEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1698382256 BOAQFRQPHFMNQL-FQEVSTJZSA-N 454.600 2.788 30 10 JFEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1705526000 BSXWRYPUVFWWBH-UHFFFAOYSA-N 499.666 2.700 30 10 JFEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1705566311 NCONHLJMBHDMPE-UXHICEINSA-N 458.632 2.555 30 10 JFEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705569424 CSFRQSGPBLKVPL-PMACEKPBSA-N 463.003 2.574 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1705625867 ZUGOLARLURDFLH-NRFANRHFSA-N 476.556 2.922 30 10 JFEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C2CC2)N(C)C)CC1 1705643694 PBXUPNCLGMQSDJ-HXUWFJFHSA-N 454.644 2.674 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1705645693 AOBJUZXOTDNCQN-LJQANCHMSA-N 499.541 2.667 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1705648057 PZPARBANNIEMGJ-UHFFFAOYSA-N 462.476 2.506 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)CC1 1705651373 UVDSMZYRHYJREQ-UHFFFAOYSA-N 492.527 2.948 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cc(C)nn2C)CC1 1705651461 XRUWXXLUSODAMZ-UHFFFAOYSA-N 475.597 2.530 30 10 JFEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1705665136 KTJZTWYOIDNMKK-JOCHJYFZSA-N 460.625 2.941 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1705695821 KAYPIVPLSBGSAE-OFNKIYASSA-N 464.570 2.529 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705702188 LEXRRJJSWVURBU-LNZPYGSCSA-N 458.607 2.662 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1705778110 KBVIKHAOLDLJES-OAHLLOKOSA-N 468.421 2.883 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C2CCOCC2)C1 1705895430 HAPWLQFIQLWMDR-HNNXBMFYSA-N 463.380 2.591 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705899435 SHVUIQAEIZQKLZ-INIZCTEOSA-N 481.475 2.566 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1705902615 IKLHRIWSQJKUOF-IAGOWNOFSA-N 498.575 2.555 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)NCC2CC2)C1 1705925545 QJUXOXTUVFDJLG-VQTJNVASSA-N 488.633 2.700 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cc(C)on1 1705931706 XZCJEHXBIUJBNV-UHFFFAOYSA-N 467.555 2.869 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CCc1ccc(Br)cc1 1705932463 UPZZWXBLRSNZGH-UHFFFAOYSA-N 491.415 2.777 30 10 JFEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1706314675 GJCSTQNTASYRLB-UHFFFAOYSA-N 462.595 2.952 30 10 JFEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOC[C@H]2C)cc1C 1707520189 HCJGNKZSKQMABW-NLFFAJNJSA-N 465.602 2.998 30 10 JFEE CC[C@@H](C)N(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1708597210 GIDRAEXMXROWNO-KNQAVFIVSA-N 465.602 2.694 30 10 JFEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1710246987 HQEAPRITXVXVOU-AUSIDOKSSA-N 497.669 2.928 30 10 JFEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1711406150 BXXPIZHQBUMJSZ-VQTJNVASSA-N 452.559 2.508 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712321318 AAMJGXQXKOWCFB-XUZZJYLKSA-N 450.543 2.521 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2c(C)nn(C)c2C)c1 1722310666 YNSAFFTZYGHDPG-QFIPXVFZSA-N 461.570 2.975 30 10 JFEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCNS(=O)(=O)CC 1722345964 KREXBVRGFIBGFI-UHFFFAOYSA-N 474.812 2.760 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369036 XXKZXLIHGPOCGU-WOZUAGRISA-N 478.659 2.640 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1722412198 WSEKHSOZRIZWKN-YADHBBJMSA-N 455.628 2.785 30 10 JFEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCS1(=O)=O 1722426401 BFINDAFEEBACBD-LJQANCHMSA-N 466.991 2.564 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(OC)C2CC2)CC1 1722436825 LNRFHQPVEOSBME-FNZWTVRRSA-N 486.661 2.963 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722503493 LJDAJPRURVMOLG-DXIQSLLYSA-N 486.642 2.555 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722510477 USCWBCSAIWBCOY-RBBKRZOGSA-N 459.635 2.923 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722511367 YNDQTZCPLFIRPL-XWQURZDVSA-N 486.642 2.756 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722521341 HULFBNHAOVPEQP-IBGZPJMESA-N 475.615 2.933 30 10 JFEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722526071 NNJJUXVENYRFDW-MOPGFXCFSA-N 497.662 2.956 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722652850 OOFBQRQRCGRWJZ-IFMALSPDSA-N 459.616 2.992 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](CN2CCCCC2)C1 1722706034 LOUVWXIATJLAPF-LJQANCHMSA-N 456.566 2.611 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(OC)nc2)C1 1722713096 BFJMQXYDWMNPTJ-LJQANCHMSA-N 469.567 2.582 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1722728426 VZFVJDIXPINJMC-SQNIBIBYSA-N 485.626 2.788 30 10 JFEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1723446444 CPTORXNIBGYPFU-OAQYLSRUSA-N 499.685 2.703 30 10 JFEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1729733086 CSHVRHYASSHPLU-FNZWTVRRSA-N 494.644 2.701 30 10 JFEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(C(F)(F)F)n1 1740542201 QKAQVMWGQSFAAN-CQSZACIVSA-N 453.432 2.841 30 10 JFEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1740590640 IWEOPOCVXUOABV-FCHUYYIVSA-N 487.626 2.765 30 10 JFEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740595030 JGPBYUIQYGLIGH-UHFFFAOYSA-N 469.640 2.770 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1740625578 OKYKZOPZXQLJBA-QHCPKHFHSA-N 498.628 2.988 30 10 JFEE C#CCN(c1nnc(CC(C)C)n1CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 1740626186 KCMVXJRQXBXRRG-QFIPXVFZSA-N 484.601 2.671 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc([C@H](C)O)cc2)CC1 1740708351 MJJZNRKZIUYDMO-SFHVURJKSA-N 463.607 2.998 30 10 JFEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1740710529 ZZFBEFHRGNKJLU-NSHDSACASA-N 493.499 2.576 30 10 JFEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740711836 VOZCGQFWFBAYBP-UHFFFAOYSA-N 498.410 2.947 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(C)C)c1 1740724675 GUQFWROTOAGCLQ-FDDCHVKYSA-N 459.616 2.964 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(CCO)Cc1ccccc1OC 1740755457 AALDBMZPRAUZPJ-SIKLNZKXSA-N 452.559 2.667 30 10 JFEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1740971418 OFTXPPLVFJPVLV-CPJSRVTESA-N 469.586 2.647 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740987747 YIXMDMYPRUSWJQ-SFTDATJTSA-N 471.627 2.622 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(F)F)C1 1740993105 STOSIUMEEJMEGJ-KRWDZBQOSA-N 454.543 2.960 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(=O)N[C@H](C)CCC)C2)nnc1C(C)(C)C 1740993633 GKYLPUBCTKTNBY-MSOLQXFVSA-N 453.653 2.698 30 10 JFEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)CCOC1 1746655820 GQATZUOLEHSIDK-UDNBHOFDSA-N 457.600 2.739 30 10 JFEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1746882038 AONXMKWQYQPOCI-DEOSSOPVSA-N 472.565 2.809 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(Br)c1 1748635452 SURZGRLSVVVJJH-HNNXBMFYSA-N 460.376 2.986 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCC(=O)NC(C)C)c1 1748692794 OLJABWLDAGGNEZ-UHFFFAOYSA-N 459.554 2.619 30 10 JFEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748804836 LYMPYUJENLJIER-LPHOPBHVSA-N 493.427 2.761 30 10 JFEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1748812376 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10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1359326508 BRAHTRGTYMGCSQ-IAGOWNOFSA-N 480.034 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1359327102 SALMPLQWPVMJRH-IRXDYDNUSA-N 480.034 2.945 30 10 JFEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1359331899 KDAQKCQOYNWBER-UHFFFAOYSA-N 475.590 2.638 30 10 JFEE CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1359768748 FJBDUXNSBIYEKK-DNQXCXABSA-N 492.672 2.789 30 10 JFEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1360295446 COJHIVRCUQRWSJ-UHFFFAOYSA-N 493.543 2.835 30 10 JFEE C[C@@H](CN1CCOCC1)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1360605740 DQIORCHQBWBFGD-HKUYNNGSSA-N 477.034 2.921 30 10 JFEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 1466496681 BBVMFTTUOXSQNL-UHFFFAOYSA-N 452.353 2.995 30 10 JFEE CCCn1ccnc1CCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1466851217 AAAIARSZLSKRAG-UHFFFAOYSA-N 457.600 2.657 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1468720637 FDSDEWDCFJYOQR-SJLPKXTDSA-N 451.589 2.774 30 10 JFEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(Cc4cccc(Cl)c4)CC3)C2=O)cc1 1470031827 AHFBYZBPTFAGHG-QFIPXVFZSA-N 451.958 2.840 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)OC)c1 1470644728 OKXHGJJIPQEABJ-OAQYLSRUSA-N 450.944 2.709 30 10 JFEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccnc(OC3CCOCC3)c2)CCOC1 1502627341 GDZHVHVKQMOKLC-HOYKHHGWSA-N 470.574 2.527 30 10 JFEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1cc(Br)cs1 1504883746 DFRKTJKNGDVYBZ-UHFFFAOYSA-N 455.382 2.655 30 10 JFEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(=O)N(C)C)CC1 1507561086 RJEJKCLZNNNPRT-UHFFFAOYSA-N 485.658 2.736 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1507583292 OZTRXNATIRWEDZ-MOPGFXCFSA-N 464.570 2.719 30 10 JFEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1507583300 OZTRXNATIRWEDZ-RTBURBONSA-N 464.570 2.719 30 10 JFEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1507634946 OMWKSZLXOUCFGH-HXUWFJFHSA-N 455.971 2.592 30 10 JFEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1507635612 UKUWSOSOARCSFQ-PBHICJAKSA-N 476.653 2.521 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN(CC)CC)cc1 1507670239 ZZFPFBNIKJMMAE-HSZRJFAPSA-N 467.639 2.533 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ncc(CC)s2)CC1 1507717744 HQVJNDMGIHNGFI-UHFFFAOYSA-N 482.610 2.793 30 10 JFEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CCOC)CCCC2)CC1 1507718387 DAKMWOANTMLDKD-RUZDIDTESA-N 459.635 2.671 30 10 JFEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(OC)CCCC2)CC1 1507718854 SYYRGWPOYQNXFX-UHFFFAOYSA-N 461.408 2.761 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCc2c(C)noc2C)CC1 1507739480 BRSAEGHPVMNEIN-UHFFFAOYSA-N 460.582 2.877 30 10 JFEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1507746613 AFPKEKMFZJUFFA-PKOBYXMFSA-N 477.656 2.566 30 10 JFEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 1507752324 YMZAVJKFQFIVMD-MRXNPFEDSA-N 453.634 2.506 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCN(CC)CC1 1507769958 DYCBLHBXNVRZGK-RUZDIDTESA-N 452.651 2.550 30 10 JFEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccccc1 1507927652 AYDHDULMEMZFTL-VXKWHMMOSA-N 450.587 2.865 30 10 JFEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507938618 AKHDHWRRMKXSDL-CYFREDJKSA-N 482.629 2.917 30 10 JFEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](COC)C1 1507968984 YNAKJSOXBRFUJZ-WOJBJXKFSA-N 479.622 2.837 30 10 JFEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1508051453 OTXSEYJQNHCRLH-IBGZPJMESA-N 456.566 2.878 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508105044 LEPNYBKHYHNJFC-CLOONOSVSA-N 469.586 2.804 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1508173650 CPKDIXMXWLMBTE-XMMPIXPASA-N 479.629 2.501 30 10 JFEE 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30 10 JFEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539138855 AFYKRBDKFQOKGH-IBGZPJMESA-N 472.553 2.656 30 10 JFEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539141871 JUWYPWXTLQIMRA-OALUTQOASA-N 471.606 2.804 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1539204650 AWVVAQOYPJPZDP-GIFJBRJJSA-N 474.583 2.564 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN(C)C(=O)OC(C)(C)C 1539237756 KKTUYROJFPNLDE-DEOSSOPVSA-N 459.591 2.649 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1ccco1)N(C)C 1539304621 CONCQHSUSXCJIR-JOCHJYFZSA-N 494.621 2.554 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCC(C)CC1 1539333938 PVRBUKOSGBJJQL-FQEVSTJZSA-N 452.628 2.853 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OCCC)CC1 1539480965 HQUGUEZDCCUMOU-NRFANRHFSA-N 466.586 2.718 30 10 JFEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1539902462 HZQVNYKOPZOSMQ-INIZCTEOSA-N 457.666 2.593 30 10 JFEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1540101697 LXETWVSASIBIED-LJQANCHMSA-N 457.383 2.956 30 10 JFEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1540854773 CFOMZFMYDACMCJ-SFHVURJKSA-N 498.628 2.726 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC2CC2)CC1 1540866451 NSRZNISDIFKZJH-UHFFFAOYSA-N 489.418 2.550 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540897698 PQKIWVBTGZFZKH-HBFSDRIKSA-N 477.606 2.831 30 10 JFEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(O)CCO[C@H]1C 1541470104 DBTHJNZHVKTWGG-SBUREZEXSA-N 458.994 2.868 30 10 JFEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCc2nncn2C)c1 1543140489 ZIIPWMWRZBRSQK-UHFFFAOYSA-N 459.959 2.822 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cc1 1556350880 HZDZJVADJDYXKI-MRXNPFEDSA-N 455.305 2.916 30 10 JFEE COc1ccc(-c2nnc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)s2)cc1 1558959065 CLMGCSCJMMJTTN-LBPRGKRZSA-N 457.537 2.670 30 10 JFEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2=O)cc1Cl 1584073681 BSGKRONXHYAQLX-MOPGFXCFSA-N 450.926 2.986 30 10 JFEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1588069084 HASUVJKZNYTXDH-XMSQKQJNSA-N 478.615 2.909 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nnnn1CC1CC1 1588181189 PLHRBEPHKOKLKK-KRWDZBQOSA-N 464.961 2.979 30 10 JFEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)(C)COCC)CC1 1588805715 APSWOTWDXMSQFO-UHFFFAOYSA-N 491.640 2.883 30 10 JFEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@@H](OC)C(CC)CC)CC1 1588806684 ZQCOTHAOTCNZEK-HXUWFJFHSA-N 456.591 2.602 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1589036339 CVDDTPZUJKGLLD-HXOBKFHXSA-N 458.584 2.713 30 10 JFEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1589037381 YORZTURYIUWYDU-KRWDZBQOSA-N 469.611 2.824 30 10 JFEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1589347793 WARKKEIYNFLGDN-ZDUSSCGKSA-N 460.785 2.916 30 10 JFEE 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459.472 2.760 30 10 JFEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N=[S@@](C)(=O)c1cccc(F)c1 1558770203 ABORCWGIQZVIRU-ADKRDUOOSA-N 451.545 2.962 30 10 JFEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1587827618 RFNQZTMWLSCXOJ-JOCHJYFZSA-N 458.925 2.966 30 10 JFEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccsc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588050585 SUUQVTIOHFTTTA-PZJWPPBQSA-N 499.666 2.506 30 10 JFEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1588070317 YOXJFTCLKQECBC-NRFANRHFSA-N 495.605 2.553 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC(=O)NC(C)C)CC1 1588768393 FQPUQWIXVKTFMR-UHFFFAOYSA-N 473.419 2.686 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2ccc(Cl)cn2)CC1 1588898751 ACXPYHKWEBKBKM-UHFFFAOYSA-N 468.945 2.940 30 10 JFEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSC(C)(C)C1 1589053047 FFMUNYLQOMMRCV-UHFFFAOYSA-N 464.686 2.936 30 10 JFEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOC(C)(C)C1 1589097596 SZSAMEBNWPCJEB-UHFFFAOYSA-N 468.671 2.624 30 10 JFEE C=C(Br)Cn1c(COCC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1589449490 HDVWSHMHFYBGQI-AWEZNQCLSA-N 453.337 2.794 30 10 JFEE C=C(Br)Cn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1589460520 ROSFSFZOTIQAAB-AEGPPILISA-N 485.427 2.776 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1589493931 JGUUHUFDRSBVDG-NNQKNUJYSA-N 464.607 2.756 30 10 JFEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1593865189 COBJONWEVWSPEO-UHFFFAOYSA-N 455.950 2.697 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCO[C@H]2C)CC1 1594202325 LWJWGQIAYIQSHZ-VBKZILBWSA-N 450.381 2.988 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccn(C)n2)C1 1595680001 DXLXSMBVVNOQIV-KRWDZBQOSA-N 460.380 2.804 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(OC)c(OC)c(OC)c3CC2)nnc1C(C)(C)C 1595831271 OPAHKVQXDGPNAV-UHFFFAOYSA-N 492.642 2.807 30 10 JFEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1595884277 JFADXVOLLKTTLG-MSOLQXFVSA-N 478.640 2.766 30 10 JFEE N#Cc1cccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)n1 1611045747 BZCQQSOPJDWWNV-LBPRGKRZSA-N 455.359 2.959 30 10 JFEE C=CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OCC 1611407887 BJAVYSZWDRMJSA-AWEZNQCLSA-N 456.870 2.651 30 10 JFEE Cc1cccnc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1612319349 BVYLYOFCIOXYLP-OALUTQOASA-N 467.574 2.873 30 10 JFEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)c1=O 1615723670 CHSGGLBKGGVLBE-UHFFFAOYSA-N 475.597 2.594 30 10 JFEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1619722831 BOONFWSQKZWQKF-JTHBVZDNSA-N 468.602 2.558 30 10 JFEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cc1 1642864853 PONPHZYESPGNGN-INIZCTEOSA-N 459.377 2.679 30 10 JFEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1 1673819918 PNRSGPMNGWFMEA-FQEVSTJZSA-N 453.587 2.661 30 10 JFEE C=CCc1cc(CNC(=O)NCc2c(F)cccc2NS(C)(=O)=O)cc(OC)c1OC 1677967019 RKADEZXBKFWDSZ-UHFFFAOYSA-N 451.520 2.942 30 10 JFEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1689982910 XAMANFDRXCAKII-LJQANCHMSA-N 478.578 2.777 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689992342 JPSMHHXAPCUEOC-NFBKMPQASA-N 487.645 2.755 30 10 JFEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690166175 WYNPKJFJAFANHX-HDICACEKSA-N 457.600 2.586 30 10 JFEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690184710 NTNUBJUNJSJTQF-LJQANCHMSA-N 484.651 2.718 30 10 JFEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690188312 HIPCBPYASPNPSL-AABGKKOBSA-N 477.675 2.747 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1690212420 LGVGDJSPHOFNJI-LJQANCHMSA-N 472.398 2.705 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690227708 FRSXATNJBSLORO-HNNXBMFYSA-N 450.337 2.984 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690252284 BYGSQKCUPUDEJC-YYDVJCTNSA-N 490.626 2.860 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690279730 AYKNVFOJPNSJDO-CQSZACIVSA-N 455.378 2.916 30 10 JFEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1690280525 VUFXSZBUNALJFS-FQEVSTJZSA-N 484.626 2.946 30 10 JFEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1)c1ccccc1 1690323852 BHHBAJSEXKDEBS-GGAORHGYSA-N 466.630 2.922 30 10 JFEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690402441 CIAQNRFUWWZZNG-GYHWCHFESA-N 478.553 2.891 30 10 JFEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1690669531 IAFZBNDKFCWARH-UHFFFAOYSA-N 479.629 2.561 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1690680713 ZHVXQCJINRDNAA-UHFFFAOYSA-N 461.570 2.729 30 10 JFEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)C)C2)C1 1690812082 GMXUHRWWGNDUKJ-JTHBVZDNSA-N 466.586 2.848 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1705570363 MMGGRFQFEXNNNE-NRFANRHFSA-N 481.647 2.969 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCCC1 1705596000 OEIWVIDENDJEPW-UHFFFAOYSA-N 457.582 2.795 30 10 JFEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCN1CCOC1=O 1705622625 NSNJJCFJBLUDBA-UHFFFAOYSA-N 462.348 2.636 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705666204 RTIBREXFLGWQSL-UHFFFAOYSA-N 498.653 2.960 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCN1CCCS1(=O)=O 1705668270 HXYYKXHBBURDRT-NTKDMRAZSA-N 487.626 2.844 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCCOC)CC1 1705689791 ZGNAOKOMIZRNFX-UHFFFAOYSA-N 468.421 2.818 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1705695569 CEJNBPCVQAVAJP-OPYAIIAOSA-N 472.565 3.000 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705712455 UHXOERQUSGOWQV-WOJBJXKFSA-N 465.606 2.823 30 10 JFEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OCCOC)C1 1705725695 NPFANGWUBKHVAS-OALUTQOASA-N 465.595 2.794 30 10 JFEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1705825183 LSLOWLOASVLXRL-UHFFFAOYSA-N 456.547 2.640 30 10 JFEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](CC)C1 1705827043 RRTIMHFWSVPMSN-GOSISDBHSA-N 462.620 2.755 30 10 JFEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1705830749 WVHFCYRAVUDDBZ-FGZHOGPDSA-N 489.642 2.506 30 10 JFEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](CC(C)C)C1 1705902636 IUSWLIKYXBMBTH-IBGZPJMESA-N 452.607 2.627 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1705905322 RJMBSBXFBKRZEY-GOSISDBHSA-N 481.626 2.898 30 10 JFEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1705939622 HYJBYOSRDMWWNU-PKOBYXMFSA-N 465.645 2.776 30 10 JFEE N#CCC1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCS(=O)(=O)CC2)CC1 1712885978 DZBUBGPKVRSMCU-UHFFFAOYSA-N 463.991 2.668 30 10 JFEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722325378 KGLGFOBNOBBFPX-NRFANRHFSA-N 466.542 2.696 30 10 JFEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1722359852 QHFIRAKGAAOENR-GOSISDBHSA-N 458.584 2.779 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1722366168 QBBZSRAHUJEKNP-OAQYLSRUSA-N 469.636 2.812 30 10 JFEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722388093 UPZFLIHSHSULRL-DEOSSOPVSA-N 497.603 2.770 30 10 JFEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1722397019 NSKKKZJBHZRRTA-VWLOTQADSA-N 467.614 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2[C@H]2C[C@H]2C)CC1 1722450462 JKEQLWYQLTWVRG-NEWSRXKRSA-N 456.591 2.897 30 10 JFEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722462774 RXMGLEOJGMZNAK-UHFFFAOYSA-N 481.666 2.895 30 10 JFEE C=C(Br)Cn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722488943 LVMSGQMMVKEYFB-OAQYLSRUSA-N 486.455 2.774 30 10 JFEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCOC2(CCOCC2)C1)C(C)C 1722667858 XUKYRBIBHYLIDJ-YADHBBJMSA-N 459.635 2.866 30 10 JFEE 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C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1)c1ccccc1 1359137883 DPWAKLJARYBHIU-GOSISDBHSA-N 487.655 2.775 30 10 JFEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCCOC)C1 1359149131 OOQWUPFMNUWZNW-QGZVFWFLSA-N 472.977 2.917 30 10 JFEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1359227246 XINOWCJKVIJBNP-FHWLQOOXSA-N 476.622 2.952 30 10 JFEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359227706 JGKKFPPAFGTHMZ-GCJKJVERSA-N 461.557 2.897 30 10 JFEE C=CCCOCCn1c(CC2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359228624 IRFSNAKSUXQICF-ZJSXRUAMSA-N 472.678 2.982 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1359257149 AXKMAPVFVMMKMJ-HSZRJFAPSA-N 475.597 2.723 30 10 JFEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1359291284 KUSCUTOJYPRSOK-HXUWFJFHSA-N 462.558 2.524 30 10 JFEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359340300 IODOBFYYHFZLLD-UHFFFAOYSA-N 456.601 2.966 30 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2.933 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC[C@H](C)C2)c1 1507552113 KIEHLCILGPLFDK-XTJBDQBJSA-N 494.640 2.790 30 10 JFEE C#CCN(c1nnc([C@H](C)CC)n1CCCc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 1507622099 FXMYPDYCLSMPMY-MSOLQXFVSA-N 454.600 2.927 30 10 JFEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507629787 PZNOTQIEBFDRCM-RTBURBONSA-N 476.046 2.957 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507633030 RDEZXBQLZMJCTR-LJQANCHMSA-N 459.591 2.838 30 10 JFEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1507641328 CNRVUYFWKWXIRN-HOFKKMOUSA-N 478.593 2.916 30 10 JFEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(=O)NCC)CCC2)CC1 1507718167 MDYUQLRRVNRXEA-UHFFFAOYSA-N 472.540 2.608 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507721641 RNOYHNDKLMJRDW-OALUTQOASA-N 475.012 2.992 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C)CCOCC2)CC1 1507733801 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HENILRCAWNWMFK-UHFFFAOYSA-N 453.568 2.821 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1540901872 RWBSRWHUOBJMOK-SFHVURJKSA-N 470.599 2.735 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540909161 ZVENXFDBYHKOKY-FUHIMQAGSA-N 476.590 2.647 30 10 JFEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540912466 ZPZIXOHFMKEISM-SFHVURJKSA-N 472.615 2.828 30 10 JFEE CC(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1541312633 IBWOJVXBGDCJSS-HXUWFJFHSA-N 472.615 2.555 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)ccc1F 1587430018 CDJCVUUHXFETIM-UHFFFAOYSA-N 459.543 2.633 30 10 JFEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@@](=O)C(C)(C)C 1587555693 IZNYOOXXVJQFLM-INCQDFKNSA-N 450.008 2.867 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)c1 1587692730 JWAYIFOGAHYQNY-HXUWFJFHSA-N 466.586 2.738 30 10 JFEE C#CCCCn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1587894225 QNWLUVQXLDRYDA-RUZDIDTESA-N 457.619 2.963 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H](C)CN1CCN(CC)CC1 1588480768 CPQJOWYUSJUOAN-OAQYLSRUSA-N 476.604 2.788 30 10 JFEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)CC1 1588876717 GTCDLFYSPPEAAH-CALCHBBNSA-N 452.550 2.849 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCSC)CC1 1588884568 FMGLHNFPHUQVDA-UHFFFAOYSA-N 489.045 2.580 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2([S@](C)=O)CCC2)CC1 1588899235 NRJVSIJXZKOGHH-XIFFEERXSA-N 467.639 2.775 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1588913481 KMECWUFFFFNRFL-ZWKOTPCHSA-N 463.508 2.938 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1588969175 WJQSDLLXVMXUPH-TZIWHRDSSA-N 456.635 2.606 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)Cc1ccccc1 1589242512 CBXPYEYNPGVLIB-XMMPIXPASA-N 497.646 2.877 30 10 JFEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](COC)C1 1589304496 HGNAXCMNQYVQIG-ZDUSSCGKSA-N 475.185 2.806 30 10 JFEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1589485403 ZDLPFGBOZFCXFW-WMZOPIPTSA-N 497.463 2.998 30 10 JFEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1594687876 ZKDQBKSZAMUYNZ-UHFFFAOYSA-N 471.425 2.862 30 10 JFEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1594812819 KTSXGDMXLAQZMR-NJYVYQBISA-N 490.649 2.852 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCOCC2)CC1 1595501350 QLIHVBKOXCSKGH-UHFFFAOYSA-N 466.630 2.846 30 10 JFEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCOCC2)cc1 1595613827 IQVUQBIRTRZKFX-FQEVSTJZSA-N 460.600 2.656 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OCC)c2)C1 1595664677 ILOLNIVPNYKONW-LJQANCHMSA-N 455.559 2.751 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(N(C)C)CCSC2)C1 1595688455 JKEMRDGFMQZEGQ-XXBNENTESA-N 491.683 2.567 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595700171 LHNJNEUJBKGDQR-YWZLYKJASA-N 487.409 2.583 30 10 JFEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@]1(OCC)CCOC1 1595830428 BNVYWQUZAIOQEP-OFNKIYASSA-N 460.600 2.873 30 10 JFEE C#CCN(C(=O)Cc1c(C)nc2c(c(O)nn2C)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1596146816 CTPDMJZCHFZSSG-UHFFFAOYSA-N 455.559 2.695 30 10 JFEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC(=O)N1CCCCC1 1608301319 HIKVVJATQMRLOE-UHFFFAOYSA-N 463.586 2.860 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nc2c(s1)CCCC2 1613594118 BOEIWBGZNHBDSG-KRWDZBQOSA-N 471.631 2.893 30 10 JFEE C#CCN1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)C1 1644638549 UHIWRRPJCQHGSH-UXHICEINSA-N 457.575 2.569 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1649538562 DVGCKXFSLGOPNV-GOEBONIOSA-N 487.377 2.987 30 10 JFEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1659852187 ABURLFKLYGIDLH-KRWDZBQOSA-N 455.529 2.581 30 10 JFEE CNC(=O)c1cc(Oc2cccc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)ccn1 1662310105 CHYBWVHDNMDKNB-UHFFFAOYSA-N 457.494 2.854 30 10 JFEE C#CCN(C(=O)NC[C@H]1CCCS(=O)(=O)C1)[C@H]1CCOc2ccc(Br)cc21 1683029465 HFEJUQCCHHJJBA-PBHICJAKSA-N 455.374 2.742 30 10 JFEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689992325 JJMWZYPMZNENFG-SFTDATJTSA-N 497.596 2.887 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1csc([C@H](C)OC)n1 1690053603 FHYPJKGIWXWAAJ-INIZCTEOSA-N 468.608 2.945 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)CC1 1690142311 LHWIGWFDLOXOSJ-UHFFFAOYSA-N 499.497 2.690 30 10 JFEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690178829 HMWGIOHUSJUEHM-OAQYLSRUSA-N 458.701 2.902 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690240343 FAWRWUDDOMOHHL-NOZRDPDXSA-N 491.640 2.788 30 10 JFEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690275970 ARNXRNGAWJCJPW-QGZVFWFLSA-N 480.660 2.526 30 10 JFEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1690280102 XKGJCIHNRQGGTK-QZTJIDSGSA-N 457.575 2.906 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1690506612 UTDUTCYMMFLDDN-UHFFFAOYSA-N 481.576 2.692 30 10 JFEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCNC(C)=O)Cc1ccsc1 1690629748 DNAMNXWNPNFHSA-UHFFFAOYSA-N 487.655 2.937 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC(C)CC2)C1 1690712421 VJJHICFRMNMIDM-LJQANCHMSA-N 458.632 2.783 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCCO)CC1 1690718988 DKOXHEGNXWDHCX-UHFFFAOYSA-N 453.996 2.583 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690728921 BCLNOTHCUGWXTE-PMACEKPBSA-N 460.600 2.629 30 10 JFEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690735958 NWHXXTKHNLNSDG-AWEZNQCLSA-N 474.450 2.589 30 10 JFEE CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1691240674 GROVWFSLUFSPJE-UHFFFAOYSA-N 482.585 2.852 30 10 JFEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1)N1CCCC1 1694449455 HVUBRHBNSCPMPC-SFTDATJTSA-N 466.586 2.993 30 10 JFEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCO[C@H](C)C1 1698048874 ASWFIEQHUZSPJN-QMMLZNLJSA-N 452.559 2.569 30 10 JFEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705520354 RCKVMDLBSORLJD-HXUWFJFHSA-N 467.549 2.744 30 10 JFEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705527407 XFXOYVIWFAJQKK-LJQANCHMSA-N 472.611 2.784 30 10 JFEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(=O)NCC)cc1 1705558574 BGKWGPAQSNJBQJ-BGYRXZFFSA-N 466.586 2.916 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1705580094 CWFQJRARJHVUMV-NIYFSFCBSA-N 458.566 2.860 30 10 JFEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705590280 GVBPHBQUKXNVFP-YIXXDRMTSA-N 491.592 2.559 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(F)cc(F)c(F)c1F 1705622772 UBZWDVCVEYKBNZ-NRFANRHFSA-N 456.440 2.621 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705655722 JNURFLBRKFJTPH-OAHLLOKOSA-N 493.406 2.769 30 10 JFEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705661257 XDWOFXWLFDOYDO-UHFFFAOYSA-N 497.637 2.764 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705694771 SZQHBOVFBGXINB-LSZOTFKBSA-N 475.634 2.950 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1705699591 IWYFRLCRNZKTLA-ZNLUXHQJSA-N 455.559 2.864 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705699887 MULPBMVXDVWNIX-ZRNYENFQSA-N 452.621 2.904 30 10 JFEE C=C(C)COCCn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1[C@]1(OCC)CCOC1 1705740486 MXJNXQJWLNKHHP-VWLOTQADSA-N 484.576 2.860 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705776967 UYAFSCBSDVZNDA-XXBNENTESA-N 469.577 2.689 30 10 JFEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705814074 CFOMSALKPZPLJL-UHFFFAOYSA-N 477.594 2.908 30 10 JFEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705828401 MODNBSQEPROFIZ-UHFFFAOYSA-N 455.607 2.937 30 10 JFEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1705838278 JMDLSOCLADWKTO-CZIZESTLSA-N 487.358 2.865 30 10 JFEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1705843466 GAQVRRSSWLERGL-KRWDZBQOSA-N 457.531 2.986 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1705861205 XEUCXCWIRBWDFY-QFIPXVFZSA-N 496.593 2.625 30 10 JFEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1705948613 YYLCWBZKWCUDMT-UHFFFAOYSA-N 474.656 2.787 30 10 JFEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1706079039 CBTKTBRFAMWOTR-GOSISDBHSA-N 453.510 2.954 30 10 JFEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1708152740 HMFDMGKDOHASJV-KRWDZBQOSA-N 495.632 2.911 30 10 JFEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCCC2)c1 1711703133 IATBKJLASOBZQT-FCHUYYIVSA-N 454.575 2.811 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1722278369 LRLLZHQQDBXZNW-BKMJKUGQSA-N 466.630 2.600 30 10 JFEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722321104 WAMOVBGAOQTVNP-UHFFFAOYSA-N 478.626 2.807 30 10 JFEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1722363872 HWPTVFKVSCNTFF-OALUTQOASA-N 470.624 2.655 30 10 JFEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1722371280 INEQWQZCXFIDAM-FQEVSTJZSA-N 454.621 2.994 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(COC(C)(C)C)c2)CC1 1722440481 HSVHZGRUIMNYJS-UHFFFAOYSA-N 494.640 2.746 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nnc(C)s2)CC1 1722444512 ZNDHZERIKSBRBB-UHFFFAOYSA-N 487.536 2.721 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1722459335 ICGGASDZZRVELI-OALUTQOASA-N 490.626 2.785 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1722474384 CAYPWZIMYFXYOO-FUMQJTLXSA-N 479.585 2.583 30 10 JFEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722483096 LVECHJWBFSBGSQ-LJQANCHMSA-N 474.403 2.972 30 10 JFEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722534671 VQHDAQLQDDXAKE-UHFFFAOYSA-N 496.637 2.758 30 10 JFEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)NCC(F)F)CC1 1722565834 CGWYYVWGONOUML-UHFFFAOYSA-N 468.549 2.930 30 10 JFEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722643100 DJUSGTGSTCGTAP-IBGZPJMESA-N 459.558 2.852 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1722657309 XUNWURSCEILMPS-OAQYLSRUSA-N 456.616 2.965 30 10 JFEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1722659979 JGEOZBSZYCRXBO-FPOVZHCZSA-N 493.605 2.512 30 10 JFEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(C(N)=O)CCOCC1 1722678215 MBBKQQYNFZFPKJ-UHFFFAOYSA-N 496.381 2.768 30 10 JFEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)OC(C)(C)C 1722682016 WGRFZYFKORTFHJ-IBGZPJMESA-N 459.547 2.954 30 10 JFEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722689234 QPABGERZMLBZON-PZJWPPBQSA-N 452.603 2.815 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)c2cccs2)CC1 1722702734 QJGXOHPUZCBMHA-UHFFFAOYSA-N 498.634 2.733 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1722731575 ODVVVWDSNXOLBL-UHFFFAOYSA-N 488.532 2.660 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)CC1 1722745692 JDQRBUDHXVOCRL-UHFFFAOYSA-N 472.347 2.996 30 10 JFEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1728297322 FTMUJKWHSDEYBJ-ACRUOGEOSA-N 457.600 2.891 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(=O)(=O)Cc1ccon1 1740539336 OJGNBTIBSSKPJB-HOTGVXAUSA-N 488.639 2.697 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2cccs2)c1 1740563032 QHEXDGZFWNAJTP-DEOSSOPVSA-N 475.578 2.704 30 10 JFEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740583637 VDUVISNRNALHCH-GOSISDBHSA-N 487.630 2.675 30 10 JFEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1740628171 OFRLXGGACPRYHN-GUDVDZBRSA-N 476.574 2.631 30 10 JFEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740628405 XJTWCQLZMPPMDI-FGZHOGPDSA-N 486.638 2.882 30 10 JFEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C 1740677853 SURCHXAKRORTJV-UZUQRXQVSA-N 477.606 2.608 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)CCC)CC1 1740708046 AEOCJGMMFGJVNL-AREMUKBSSA-N 467.614 2.991 30 10 JFEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740799605 PUKUHDDYVWSWCV-GUDVDZBRSA-N 454.637 2.803 30 10 JFEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1740836356 OHZFRRJFSOFFGF-RXVVDRJESA-N 473.540 2.596 30 10 JFEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740863172 QMHDWFKHVUIUCO-BZUAXINKSA-N 465.542 2.602 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1conc1COC 1740913251 BFTNQCZUEWDDBT-UHFFFAOYSA-N 461.526 2.761 30 10 JFEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCCC1 1740924965 HAYLAEJSBJGSNV-UHFFFAOYSA-N 471.631 2.771 30 10 JFEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1740952112 VFUXVIJZLKJFIP-KRWDZBQOSA-N 473.549 2.981 30 10 JFEE C[C@H]1CCC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1743029364 HGVMGFSSZOMRLB-PZJWPPBQSA-N 466.586 2.993 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1744088307 FWZWWTMNYRMAKE-DENIHFKCSA-N 479.629 2.946 30 10 JFEE CNC(=O)C(C)(C)Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1748094711 CIGVFLSGQLKCSH-UHFFFAOYSA-N 451.619 2.932 30 10 JFEE COc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)N2CCCC2)cc1 1748598537 CNRPHOKVJPAYIJ-GBXCKJPGSA-N 469.565 2.704 30 10 JFEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(N3CCOCC3)CCSC2)cc1 1748606761 DWCRGXCMPUZOQU-WZONZLPQSA-N 456.616 2.757 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCc2cnn(C)c2)c1 1748692605 JMZZSFJOGSOGQI-JOCHJYFZSA-N 461.570 2.942 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@@H](F)C2)c1 1748694221 AXRXMMFUGXITTR-RTBURBONSA-N 452.534 2.595 30 10 JFEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1748713252 AQTLWXLWESRHSC-ZCNNSNEGSA-N 470.618 2.911 30 10 JFEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748725298 YUSZAJUBTGDUNG-RDGATRHJSA-N 478.641 2.692 30 10 JFEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)cc1 1748877088 DBUGGCHDBOPQCM-NHCUHLMSSA-N 454.575 2.715 30 10 JFEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC(F)(F)C2)n1 1748970868 WAUNVQFUYKVRCF-QGZVFWFLSA-N 458.517 2.597 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCCCCC2)CC1 1748983480 PWQHKBTTYIXXHW-UHFFFAOYSA-N 455.994 2.541 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC[C@H]2CCOC2)CC1 1748992615 BAIVAIDLPJJOCG-OAQYLSRUSA-N 458.006 2.721 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN(C)C(C)C)CC1 1749001179 KVJSZSPLTMWBFW-UHFFFAOYSA-N 493.656 2.843 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1749044422 QSUSRHHJASVWLL-UHFFFAOYSA-N 499.591 2.747 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1749052131 XWISGORNJCHBIZ-NBGIEHNGSA-N 451.571 2.933 30 10 JFEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749223385 SRAQWQZXWXEVMJ-UHFFFAOYSA-N 451.531 2.500 30 10 JFEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccn1C(F)F)C1CC1 1749510616 MNHWITYYCWOJLI-UHFFFAOYSA-N 477.541 2.990 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCc2cccs2)CC1 1749655084 CIRPXJHVIBOBBX-UHFFFAOYSA-N 481.582 2.582 30 10 JFEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1749677056 MDVASCRBPRKPKW-UHFFFAOYSA-N 482.585 2.724 30 10 JFEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C(C)(C)C)cs2)C1 1749713562 UZEVQRJTXQWSLR-CVEARBPZSA-N 465.645 2.764 30 10 JFEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1749735731 VOBJUALBVDJXQB-UHFFFAOYSA-N 461.632 2.803 30 10 JFEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1CCCCO1 1750965121 FCSMMVUPEPIGPE-SFHVURJKSA-N 471.993 2.837 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760131522 UKRIWZFXKCFVBV-KXBFYZLASA-N 467.542 2.548 30 10 JFEE C#CCN(c1nnc(C2CCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@H]1CCS(=O)(=O)C1 1760189268 TWMYACGEIRKHQE-ZDUSSCGKSA-N 490.939 2.626 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCN2CC)CC1 1760270862 CTPFSARIDHCJHD-DEOSSOPVSA-N 462.642 2.904 30 10 JFEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)on1 1760280228 DVFMJNQXKLNZHP-SFHVURJKSA-N 476.603 2.886 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760285939 WGUGTRSDOWJCQR-UHFFFAOYSA-N 468.627 2.870 30 10 JFEE C=C(Br)Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314716 RJCHHLHGILKPHE-XJKSGUPXSA-N 469.302 2.995 30 10 JFEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760379597 AKFUFYSJFLFTMP-IBGZPJMESA-N 461.010 2.834 30 10 JFEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760432564 KCVFOQDZQXTAEF-OAHLLOKOSA-N 469.558 2.621 30 10 JFEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1760463314 YMSGXVCKRWIFGP-QGZVFWFLSA-N 458.563 2.924 30 10 JFEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760481032 LVGJGLYPXACJSD-SJBKTWHCSA-N 452.603 2.921 30 10 JFEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760566176 NOWIWBWOKUWIPA-FQEVSTJZSA-N 484.674 2.724 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1760778051 FWQVWFALXHKIEQ-GBESFXJTSA-N 460.579 2.896 30 10 JFEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCN1C1CC1 1761449977 IASFGNVIZPKJLQ-NQIIRXRSSA-N 486.642 2.615 30 10 JFEE CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1763451776 AMGWYEMGEDEDAJ-CZGNIMDHSA-N 452.559 2.740 30 10 JFEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(Br)s1 1764187208 GKONACFCKILZOH-AWEZNQCLSA-N 481.420 2.992 30 10 JFEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1)S(C)(=O)=O 1764833153 HPYQMPWJUJQUOE-UHFFFAOYSA-N 456.494 2.629 30 10 JFEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H](C)C(=O)NC)cn1 1766609717 AOJNASKQRBZYPN-SFHVURJKSA-N 460.586 2.925 30 10 JFEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1771112142 GXRZRGPXPBMXQB-YPAWHYETSA-N 487.626 2.715 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1772522989 XEIUOIUANOMWQU-UQBPGWFLSA-N 453.587 2.923 30 10 JFEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1F 1862417853 BQIBCWUJTVUPQI-QFIPXVFZSA-N 486.471 2.647 30 10 JFEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN2CCCC2=O)cc1 1862628698 FAOFGACDUWZLEU-JOCHJYFZSA-N 492.484 2.704 30 10 JFEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862703213 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461.588 2.521 30 10 JFEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1540121238 ZQXIIYQRFYNWTQ-AYLZSAKASA-N 457.600 2.732 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)Cc1nc(O)c2sccc2n1 1540875388 KHNQSVCPRGHXDB-UHFFFAOYSA-N 483.529 2.645 30 10 JFEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCCN(c2nc(C)ns2)CC1 1540875732 WMVWISJWGXDFPL-UHFFFAOYSA-N 496.641 2.598 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1540901711 MUEHIGCUJGBRCN-GOSISDBHSA-N 484.626 2.665 30 10 JFEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)CCC(F)(F)F 1547581074 BRODAJDTIZQTMR-SFHVURJKSA-N 484.548 2.714 30 10 JFEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CCn2cccn2)C[C@H]3CO)cc1C(F)(F)F 1548406414 PWSZUYJINDRHAP-SFHVURJKSA-N 461.488 2.901 30 10 JFEE C#CCCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CC1 1565988613 HNPKRYZVZGRBCZ-UHFFFAOYSA-N 457.621 2.713 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC(=O)N[C@@H](C)CC)c1 1587693673 VORMLPKJRAKXPH-ICSRJNTNSA-N 466.586 2.533 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1 1587693953 YBEPEIBAVPJZQS-KDURUIRLSA-N 452.603 2.785 30 10 JFEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1588041167 VPOZZWVURJBSJG-JGBTYHIZSA-N 472.611 2.786 30 10 JFEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588049621 JOXQGRMQUTWTPX-GGAORHGYSA-N 496.612 2.717 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1588929584 DDRAKXNNROXKNP-NNWRFLSQSA-N 457.619 2.733 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1588947310 NGTHROZJZDIXMN-IBGZPJMESA-N 460.623 2.746 30 10 JFEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1589037400 YYFHZISJYSAADG-RBUKOAKNSA-N 469.611 2.966 30 10 JFEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1589110037 ODQOKGACFOTHFG-UHFFFAOYSA-N 479.654 2.979 30 10 JFEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1589116478 JXSWNJWZCUNGJT-WZONZLPQSA-N 458.584 2.616 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1589651866 IISRHUDQCWHBNU-GOSISDBHSA-N 451.575 2.965 30 10 JFEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)CC1CCOCC1 1593635762 AIVANSCPBHSEBR-JOCHJYFZSA-N 489.642 2.620 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1595523070 OUEDNLNLEYRTHI-FDDCHVKYSA-N 480.592 2.639 30 10 JFEE N#Cc1ccc(OC2CCC(NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)CC2)nc1 1596573575 HZBCKOXRIBDEIW-SQFISAMPSA-N 454.552 2.740 30 10 JFEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1615666093 AGJPRNPJEUSTFC-QGZVFWFLSA-N 490.630 2.943 30 10 JFEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)CC1 1615844220 CWGLLCJPTOEDIF-LJQANCHMSA-N 473.572 2.990 30 10 JFEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(COCC(F)(F)F)cc2)CCOC1 1616260081 ASEYOYIPIUFJMZ-DENIHFKCSA-N 495.502 2.786 30 10 JFEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCCC2)c1 1617705726 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494.409 2.780 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCS2)CC1 1690139601 UGOJMGNVGUGRMW-IBGZPJMESA-N 454.556 2.715 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)Br)CC1 1690144192 OYUOGYFRNDMMSU-UHFFFAOYSA-N 467.318 2.602 30 10 JFEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690184484 JSZOTDUGBNCSAZ-MOPGFXCFSA-N 469.611 2.585 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690211118 TUSPUYZBLZFDEL-LAUBAEHRSA-N 496.559 2.525 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1690216175 MEWUTDNVIBORKZ-SBZFUYPRSA-N 486.661 2.888 30 10 JFEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1690231653 JYBDTNSLQSODEQ-IRXDYDNUSA-N 481.439 2.830 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1690243262 IWTGDMILGSFQRY-ZJOUEHCJSA-N 455.607 2.793 30 10 JFEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690634744 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Cc1ccc([C@H]2/C(=C(/O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)o1 103226613 QOARPYGXCAANJH-NNWMPZTLSA-N 464.522 2.606 30 10 JFEE C/C(Cl)=C/Cn1c(N/N=C/c2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C 109053960 ITXFLIBGEWUNPC-XRXJUDGPSA-N 465.739 2.785 30 10 JFEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccncc2)cc1 170359162 HPXYNNPUQGUWDG-JOCHJYFZSA-N 463.515 2.831 30 10 JFEE COc1ccccc1NC(=O)COc1c(Br)cc(C=NNC(N)=S)cc1OC 254380070 DXLZTIMFOIXOOH-UHFFFAOYSA-N 467.345 2.651 30 10 JFEE O=C1C=Cc2cc(S(=O)(=O)O)ccc2C1=NNc1ccc2ccccc2c1S(=O)(=O)O 256340124 UPNYWAVKQGLWRZ-UHFFFAOYSA-N 458.473 2.745 30 10 JFEE N#Cc1ccccc1NC1=C(SCc2ccco2)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O 526666929 CJNRISLHWHSFDG-UHFFFAOYSA-N 480.527 2.929 30 10 JFEE CN(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1Cl 616172833 APSIPJKRVJGQNZ-HXUWFJFHSA-N 476.002 2.530 30 10 JFEE C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc3c(c2)OCO3)C[C@H](C)O1 1083851563 ZUVGSYZZMWWPDF-KBPBESRZSA-N 462.484 2.567 30 10 JFEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)c1ccc(F)cc1 1129716194 BYKTUSBNROWLQW-FQEVSTJZSA-N 458.511 2.504 30 10 JFEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCN(C(C)C)C[C@H]3c3cnn(C)c3)c2C#N)C1 1131606103 PZLKAMGEOHEJCX-QUCCMNQESA-N 454.600 2.710 30 10 JFEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286327301 IQJTYOZRMSGEJS-DEOSSOPVSA-N 452.534 2.626 30 10 JFEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286450784 YELDNWLLQRATTC-UNMCSNQZSA-N 471.627 2.563 30 10 JFEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286459464 MCUSICOPHCEDFA-RNHFSVANSA-N 491.633 2.662 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)c2nccs2)CC1 1286484884 ZQWPBOGBVSLVMQ-SFHVURJKSA-N 452.584 2.881 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(c3ccccn3)CCC2)CC1 1286485953 DIPTXWDVGKLJMJ-UHFFFAOYSA-N 491.640 2.679 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1286486262 KGEOPWSEAMXDBS-LJQANCHMSA-N 464.614 2.702 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C2CC2)N(C)C)CC1 1286488455 NYVMVXGETVQWHX-PGRDOPGGSA-N 482.604 2.863 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2nnc(C)s2)CC1 1286491805 CCXYFJAAHLGKMJ-UHFFFAOYSA-N 479.610 2.594 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286501172 OOIDVQGVZYUBAD-AWEZNQCLSA-N 487.420 2.836 30 10 JFEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CC)C1 1286530852 FUMNTBWGXLNFFY-OAHLLOKOSA-N 455.378 2.872 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1286547918 QPYVSDMDGWGHSN-UXLLHSPISA-N 488.452 2.749 30 10 JFEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCCC[C@@H]2C)CC1 1286651823 MOUIOHOURYWBST-RBUKOAKNSA-N 452.669 2.945 30 10 JFEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286777039 WBGNKWOOTMTHTF-UHFFFAOYSA-N 488.639 2.936 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CC[C@@H](F)C1 1288850879 BEQPWVLUOSUKJS-CMKODMSKSA-N 489.621 2.615 30 10 JFEE CCS(=O)(=O)NCCn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1297777034 HDXQYHDUSTZHOQ-UHFFFAOYSA-N 454.556 2.827 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCCCC1 1300317010 IMBHBUHHWRSRAT-DEOSSOPVSA-N 463.674 2.977 30 10 JFEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1300421353 CPGFGCYWDGANNC-UHFFFAOYSA-N 451.600 2.967 30 10 JFEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300421729 PRWMQVQWXQKBQO-UHFFFAOYSA-N 465.598 2.963 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300571807 LZADUXRNIDUNQR-UHFFFAOYSA-N 453.594 2.993 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCC2CCOCC2)CC1 1300690789 JFEGKPWYKZXYBS-UHFFFAOYSA-N 453.587 2.924 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300701450 URXQDROVEBRFQL-UHFFFAOYSA-N 476.046 2.635 30 10 JFEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300853782 VETVWCXTMOPHMX-MRXNPFEDSA-N 479.404 2.606 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@H](C)C1 1300871588 YZFMIIINWRYVHC-GLJUWKHASA-N 463.380 2.684 30 10 JFEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 1300990697 MSAIVWKQWXUFDY-OALUTQOASA-N 465.595 2.794 30 10 JFEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301187055 ONLCUILKYLDXFZ-OAQYLSRUSA-N 452.607 2.913 30 10 JFEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301248662 IVCCCSALAPLKIG-SFHVURJKSA-N 460.579 2.606 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301483495 PTXSILBUXRZMML-PKOBYXMFSA-N 484.601 2.995 30 10 JFEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1301510454 XZIYCKRGMCLBPN-IBGZPJMESA-N 479.610 2.653 30 10 JFEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1301526484 NZRMCXUMCDGEQY-HXUWFJFHSA-N 453.568 2.500 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301575000 ADDVMGUWXCKGRF-UHFFFAOYSA-N 498.012 2.793 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301596520 QXXABPRDZYBTQT-UHFFFAOYSA-N 474.656 2.894 30 10 JFEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)c2occc2C)[C@@H](C)C1 1301720587 ALSHVWJWIVBMHY-SFHVURJKSA-N 475.553 2.595 30 10 JFEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1302272380 HURATLZOLIUHBD-RTBURBONSA-N 465.558 2.589 30 10 JFEE Cc1ccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)cc1F 1304259781 FLRJDXSDQPHJOT-UHFFFAOYSA-N 490.543 2.933 30 10 JFEE COC(=O)c1cc(C#N)c(=O)n(C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1 1307284434 GVGRAUBOLMXSAX-OAQYLSRUSA-N 451.504 2.535 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C2CCCC2)CC1)S(C)(=O)=O 1313798858 HTRTZVMBCIZMAE-UHFFFAOYSA-N 499.685 2.943 30 10 JFEE CCN1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313910235 DTQMRVFKEVAYDE-FQEVSTJZSA-N 467.666 2.981 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1315117614 DTSGGBWHEJHZGS-KDURUIRLSA-N 481.601 2.593 30 10 JFEE COc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cnn(C)c2)cc(OC)c1OC 1315296605 DCWLRSZUYYPCAP-HSZRJFAPSA-N 451.531 2.883 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)cc1 1358896599 IIQUTHSBDHOJMM-SFHVURJKSA-N 464.595 2.612 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1358957793 AJUAJPUXVSMGQR-UGKGYDQZSA-N 457.644 2.865 30 10 JFEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358963194 DJKGXFWGJFCBGS-FCHUYYIVSA-N 456.612 2.658 30 10 JFEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358967266 HCDCIVDFIWEXEW-QWFCFKBJSA-N 490.651 2.631 30 10 JFEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1358978917 XYTVJVSPHSTRJY-UHFFFAOYSA-N 492.628 2.828 30 10 JFEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C[S@](C)=O)cc1 1359002373 XBUKKRUNYCYCRF-UMSFTDKQSA-N 498.678 2.933 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1359039077 WJOMMPOQHZNCSZ-UHFFFAOYSA-N 481.482 2.946 30 10 JFEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359054979 OUEHSHHSCYJYOF-FQEVSTJZSA-N 470.624 2.511 30 10 JFEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359056943 ODHLUIRIEYFHLH-HXUWFJFHSA-N 457.575 2.874 30 10 JFEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1359070783 UMZUBOCFOMYOKS-WZONZLPQSA-N 459.591 2.838 30 10 JFEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCCCO 1359082832 VDFDNKDYXIGFQM-UHFFFAOYSA-N 461.364 2.699 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359083825 RTJMHBHGRZTSPZ-CVEARBPZSA-N 480.411 2.909 30 10 JFEE C=C(Br)Cn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1359088310 HPSNCJLYEGPTIY-WOSRLPQWSA-N 469.302 2.995 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359089773 OWTFSJHREFHQLQ-GGPKGHCWSA-N 457.579 2.548 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC1(C(N)=O)CCOCC1 1359255794 KXBMYJQMVABBTA-UHFFFAOYSA-N 471.565 2.995 30 10 JFEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1359262443 SXHRTPFBMMAZAT-HNNXBMFYSA-N 478.648 2.537 30 10 JFEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H](C2CCC2)C1 1359305485 DTYSAQXGRXKFFJ-PMACEKPBSA-N 488.633 2.905 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCCCCC2)C1 1359324710 QVEIRYFHAOPFTK-NRFANRHFSA-N 455.607 2.714 30 10 JFEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1359326982 OXLBAHUWWZBYOT-IBGZPJMESA-N 482.566 2.573 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)C 1359328884 QKZMYUIJYMCRQO-UHFFFAOYSA-N 461.632 2.804 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1359333235 RNBPOBFNVNGUMH-AEFFLSMTSA-N 492.623 2.725 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1359333236 RNBPOBFNVNGUMH-FUHWJXTLSA-N 492.623 2.725 30 10 JFEE CC(C)(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1359513623 AUDGFXWVDIXREY-GOSISDBHSA-N 456.616 2.599 30 10 JFEE CC1CCN(C(=O)c2ccccc2NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1442005909 BHSYFBCZMJDMEW-QGZVFWFLSA-N 454.552 2.736 30 10 JFEE C#Cc1ccc(NC(=O)CCN2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 1460425395 WWDAVWDOSXGKFH-UHFFFAOYSA-N 459.594 2.552 30 10 JFEE C#Cc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1463288133 RJKLLVOWTQPFLZ-UHFFFAOYSA-N 459.955 2.573 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2COC(=O)N(C)CC)cc1 1465259176 OHNIOHKSFLGJTE-GOSISDBHSA-N 452.577 2.968 30 10 JFEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1470032282 GUATXDPEEFIUGC-CYFREDJKSA-N 455.559 2.605 30 10 JFEE C#Cc1ccc(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)cc1 1478672004 QRQZSKSCVKXMOV-GOSISDBHSA-N 459.287 2.655 30 10 JFEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)c(=O)n1C 1492200440 CDMMFMYFEVHSCJ-JOCHJYFZSA-N 462.554 2.790 30 10 JFEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H](C)O1 1504711719 GXHOTGAUMXMZOI-AVRDEDQJSA-N 466.586 2.848 30 10 JFEE COCC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1504749861 CUZIBFBNQBQISY-RTBURBONSA-N 451.369 2.953 30 10 JFEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507580634 IWSJODMWYHXUPU-UHFFFAOYSA-N 450.587 2.502 30 10 JFEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCCCC1 1507680570 IXEOZWYKZIUJBW-UHFFFAOYSA-N 472.659 2.919 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1507790924 FRJCFQRJCKUJGH-HOTGVXAUSA-N 457.497 2.745 30 10 JFEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507943953 NQEGWBYKLDBJEZ-HXUWFJFHSA-N 480.613 2.928 30 10 JFEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 1507960059 QBLKEZSHNCPDDN-HNNXBMFYSA-N 464.364 2.621 30 10 JFEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 1507990315 FHBZGLQCDIHLRX-UHFFFAOYSA-N 452.603 2.576 30 10 JFEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1508035581 ABOZPLSLEXPJCI-IBGZPJMESA-N 454.575 2.701 30 10 JFEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1508057710 IPTXAAACCIPBFU-ZWKOTPCHSA-N 473.647 2.945 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508079484 XKOUHCKYZIKLCB-IBGZPJMESA-N 475.597 2.784 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)Cc2ccc(F)cc2)C1 1508108825 MHKRIPFIQRCSQB-NRFANRHFSA-N 456.566 2.567 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1508135907 CILFBCFASYFSMW-IBGZPJMESA-N 484.626 2.608 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 1508147555 ANDHHMXTRLHPNJ-RTBURBONSA-N 467.680 2.718 30 10 JFEE CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc2)CC1 1527168429 YYTDFPXJKPQLSL-OAQYLSRUSA-N 457.575 2.876 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N(c2nc(C(=O)OCC)cs2)C2CC2)ccc1F 1530700333 YQYPOEUFFSOOMC-UHFFFAOYSA-N 453.517 2.732 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2c(C)noc2C)c1 1539044200 ZJCABGFBSWZMSY-UHFFFAOYSA-N 455.522 2.973 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCc2noc(CC)n2)c1 1539046309 QRVHCRAFCYFJOP-UHFFFAOYSA-N 470.537 2.508 30 10 JFEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)CC1 1539430382 IWYOQBDPDVAZAY-IBGZPJMESA-N 468.577 2.619 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1539519419 GLEXOUUIMXQXMA-UHFFFAOYSA-N 461.570 2.968 30 10 JFEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539623711 NVOYAXIOFODSFM-FCHUYYIVSA-N 484.626 2.564 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)NC 1539659482 YSQSHJDGRXZSRW-UHFFFAOYSA-N 472.409 2.668 30 10 JFEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539691179 MQXJCYJXVIGVSX-PGRDOPGGSA-N 467.574 2.808 30 10 JFEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1)c1ccccc1 1539764941 BMXQDVBCCAFKNZ-RBBKRZOGSA-N 452.603 2.677 30 10 JFEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540039976 LLHFCSQYYQURJM-INIZCTEOSA-N 478.391 2.879 30 10 JFEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540865004 RJRXYTKGMYNEKF-IBGZPJMESA-N 495.584 2.620 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540866835 BXRVGYLOVNRWOW-UHFFFAOYSA-N 477.569 2.710 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)C1 1540883808 FMFDXUBXZFIWCG-DLBZAZTESA-N 464.563 2.916 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@@H]2c2ccccc2)C1 1540884771 ULICWGHHMGSIDF-VXSCBNMQSA-N 489.642 2.838 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccccn1 1540898355 IFAUKOMGGCPODU-UHFFFAOYSA-N 463.567 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1540900700 DYXBVLKBJICUEB-UHFFFAOYSA-N 488.658 2.503 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(Cl)s1 1540902984 VLPIUUNODCHZIV-AWEZNQCLSA-N 458.009 2.571 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1540908861 PSOSTFFCIOABDZ-LJQANCHMSA-N 478.590 2.850 30 10 JFEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1541237608 BGRSGWBTZYGWAB-NLWGTHIKSA-N 456.522 2.703 30 10 JFEE CCN(CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1547491679 AFYJBPDPRFJNAK-NRFANRHFSA-N 464.618 2.549 30 10 JFEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NCc1ccccc1 1548371066 KLZRRPRAWQQHMJ-NRFANRHFSA-N 489.498 2.740 30 10 JFEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cn(CC2CC2)c(CC)n1 1561922569 QKPHEAFZCRAFGP-UHFFFAOYSA-N 450.605 2.879 30 10 JFEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)cc1 1562197237 GWOPAJBUKFCFQD-IAGOWNOFSA-N 452.577 2.872 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNC(=O)OC(C)(C)C)c1 1587689489 IPXBVESNHFZHTD-UHFFFAOYSA-N 463.542 2.854 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)c1 1587692718 JBRRBEHLJDEQKL-UNMCSNQZSA-N 464.614 2.959 30 10 JFEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1587870020 WEFAKRPYVYTUFV-UHFFFAOYSA-N 466.615 2.953 30 10 JFEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588039973 GWYSAEAOUKVRQP-QPPBQGQZSA-N 456.612 2.949 30 10 JFEE C#CCN(c1nnc(Cc2ccsc2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588064873 QMIQLNMWOAUTFR-FQEVSTJZSA-N 470.620 2.945 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588073729 CCQWWXFYABCLDG-SFHLNBCPSA-N 458.584 2.532 30 10 JFEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(N2CCOCC2)CCSC1 1588093319 JONQBMIERGFRME-HSZRJFAPSA-N 456.015 2.879 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1CCCCC1 1588214420 SSLSSMGMDOGRBJ-UHFFFAOYSA-N 481.670 2.966 30 10 JFEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1588387855 VWOIFFGVUDNWFR-CYBMUJFWSA-N 457.419 2.706 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2cnn(C)c2)CC1 1588891564 RBOFIHBVGNEXGG-IBGZPJMESA-N 493.587 2.889 30 10 JFEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589449626 LBZGUOWCSFRMMH-HXUWFJFHSA-N 497.415 2.789 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1589502835 ACLLNIKEMVJGBQ-UNMCSNQZSA-N 484.626 2.917 30 10 JFEE COc1cc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C#N)C3)ccc2OC)cc(OC)c1 1595201698 DKYOVRZZROGRPG-OAHLLOKOSA-N 459.524 2.889 30 10 JFEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn2ccc(C)cc2n1 1595275659 KGLCDKNTFUXXHL-UHFFFAOYSA-N 480.594 2.992 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)C1 1595673878 KUACCQCIAARMBV-PGRDOPGGSA-N 478.018 2.511 30 10 JFEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595854888 QGHRUUQDVBBIOY-OAQYLSRUSA-N 476.006 2.727 30 10 JFEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1595955492 AHPCBSPAZJHKHS-UHFFFAOYSA-N 452.490 2.956 30 10 JFEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)(F)C(F)F)[C@@H](C)C1 1596249656 GSKOFMACTWHUJE-HNNXBMFYSA-N 498.481 2.703 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1611482840 AFFVCHSTDPGPSB-CABCVRRESA-N 466.995 2.749 30 10 JFEE Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)s1 1612381482 HCEYESGWQJEZML-CQSZACIVSA-N 459.601 2.518 30 10 JFEE CCn1cccc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1615723748 FFZJKEKONDGKBV-AWEZNQCLSA-N 475.372 2.728 30 10 JFEE COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NC(=S)Nc5cccc(C#N)c5)CO[C@H]34)n2)cc1 1616132378 MMUDGNVUBWSVPJ-SSGKUCQKSA-N 488.573 2.957 30 10 JFEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccnc(C(F)(F)F)c1 1616913429 DDLKXQPVVIAGPO-UHFFFAOYSA-N 472.475 2.870 30 10 JFEE C=CC[C@@H]1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 1620451965 SFKUSSNWPHLKHX-SKCQWOFPSA-N 459.593 2.631 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)cc1 1631230988 FDGJTERAHFRDAG-GOSISDBHSA-N 459.568 2.885 30 10 JFEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)c1 1636646153 MNALYVZWOUMWQZ-KRWDZBQOSA-N 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CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282053002 RVSCFCVLAZASRG-AWEZNQCLSA-N 482.818 2.844 30 10 JFEE CCn1cc(C(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2282061979 RQRVCPFKXMZANI-UHFFFAOYSA-N 462.400 2.722 30 10 JFEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C[C@@H]1NC(=O)C(F)(F)F 2282409433 KHQIGVPNLOZKFS-WBMJQRKESA-N 458.261 2.654 30 10 JFEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2282612760 WBDIEOAUJPOYJG-NVXWUHKLSA-N 460.380 2.980 30 10 JFEE Cc1cccc(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282647434 BHSPBLTTYYRUDN-ZWKOTPCHSA-N 460.380 2.706 30 10 JFEE CCC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2282841707 XHTPLMKZBBRPCY-UHFFFAOYSA-N 484.399 2.803 30 10 JFEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282972445 PHOQKQXISHFZLJ-MGBGTMOVSA-N 480.392 2.549 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283972689 FHGUKFWWBBXBKK-RCDICMHDSA-N 479.408 2.654 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2283985813 AMDWESVRKPNPBW-PEBXRYMYSA-N 481.786 2.903 30 10 JFEE Cc1cc(CNC(=O)C2=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2284044969 HMCUPTYIKJGWMI-IRXDYDNUSA-N 478.420 2.556 30 10 JFEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C1(O)CCC1 2284069675 VHWZRZAPIITUHP-KRWDZBQOSA-N 464.343 2.872 30 10 JFEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2317245922 WAYJYQHTFMKJKH-HZPDHXFCSA-N 453.776 2.816 30 10 JFEE CC(C)COC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330993464 OHWARZOTBHMYDG-MRXNPFEDSA-N 491.526 2.983 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2337329526 CYYMMCXUJHAHHC-KBPBESRZSA-N 463.409 2.818 30 10 JFEE CC#CCN(CC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2363116457 CMJLPEJIRBHJFW-UHFFFAOYSA-N 456.392 2.905 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)CCO1 2364967303 RKIUBPKYSRKZEF-ZDUSSCGKSA-N 466.315 2.501 30 10 JFEE COc1nc(N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2365347972 KOXKOEZCDDMPSD-XJKCOSOUSA-N 457.302 2.671 30 10 JFEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2379878547 FXLZGOJIJAAKQI-MRXNPFEDSA-N 470.322 2.867 30 10 JFEE C=CCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2ccccc2F)CC1 36210497 XIQHBBXKPLELOK-JOCHJYFZSA-N 453.514 2.787 30 10 JFEE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/n2c(N)cc(N)nc2=S)C1 59500619 JKNBNARDQSUGTQ-HZZGJGATSA-N 472.575 2.652 30 10 JFEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1Br 170180293 WCTFRBNGAQPCCU-SFHVURJKSA-N 460.328 2.993 30 10 JFEE N#C[C@@H](c1ccc(Cl)cc1)c1c(Cl)cc(-n2nc(C(N)=O)c(=O)[nH]c2=O)cc1Cl 212526306 FNWDAHDIUYWFPV-NSHDSACASA-N 450.669 2.635 30 10 JFEE in-vitro N#CCC(=O)NCc1ccccc1NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 219699318 SFHORBVPRAPKPB-UHFFFAOYSA-N 483.322 2.994 30 10 JFEE CCCC(=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 253695552 BQEJAAIPKDQEPV-HLLBZIHESA-N 466.521 2.949 30 10 JFEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1 302991809 SEEDVGNPVNTYGE-UHFFFAOYSA-N 486.189 2.989 30 10 JFEE COCCN(CCOC)C1=C(Sc2nc(C)cc(C)c2C#N)C(=O)N(c2ccc(C#N)cc2)C1=O 526695778 BDEVFJBVJXFRFJ-UHFFFAOYSA-N 491.573 2.914 30 10 JFEE C=CCN(Cc1cccc([N+](=O)[O-])c1)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O 725773336 VFANTGTYSLUGRQ-XMMPIXPASA-N 479.493 2.964 30 10 JFEE C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N(C)Cc1c(F)cccc1Cl 919318110 CESPOTGEONWDES-CQSZACIVSA-N 466.918 2.856 30 10 JFEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)cc1 1084399121 LEIWTLXHECMBGQ-UHFFFAOYSA-N 455.544 2.884 30 10 JFEE COc1ccc(C(C)=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c(OC)c1 1084626724 GRHVXIJZZWDJJX-UHFFFAOYSA-N 484.538 2.795 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)C3=O)c2C)cc1 1140590706 JXDQIMLBTWWSCM-UHFFFAOYSA-N 456.524 2.500 30 10 JFEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1 1159127120 VYBDZNHMPMMYAH-HRAATJIYSA-N 459.543 2.772 30 10 JFEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 1187179448 CLFHDBWELRBVPN-IBGZPJMESA-N 453.486 2.799 30 10 JFEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)[C@@H]2C1 1191291546 AZKUCMQPQWNDLM-SWLSCSKDSA-N 456.362 2.951 30 10 JFEE COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2CC(=O)N(CCC#N)CCC#N)cc1 1197376235 BHMXRFJTNCXOBR-NRFANRHFSA-N 455.559 2.945 30 10 JFEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 1211464001 FQTJTCXDCHIYMU-JQWIXIFHSA-N 451.879 2.979 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[C@@H](OC)C(F)(F)F)c1 1286309333 JUPXINDZKPBTPD-GOSISDBHSA-N 475.475 2.702 30 10 JFEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1286341354 DIJMEXAZHDKLNV-SJLPKXTDSA-N 461.563 2.540 30 10 JFEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2c[nH]c3ccc(F)cc23)CC1 1286470181 UOEORXMALUWVKL-UHFFFAOYSA-N 465.577 2.815 30 10 JFEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286508716 QALNXVMWYADUQO-LJQANCHMSA-N 455.632 2.775 30 10 JFEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286711009 HBCHWMLAHHLELV-FQEVSTJZSA-N 457.550 2.753 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC(=O)NC)CC1 1286782763 FWGNHZDNNXRBKG-UHFFFAOYSA-N 465.385 2.907 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1286799508 VZPUFJYKFBUDGX-QFIPXVFZSA-N 489.642 2.993 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1286821701 SQARFGMUQBYGIX-UHFFFAOYSA-N 480.034 2.570 30 10 JFEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286825855 YJXMYIBKJBGCKP-QGZVFWFLSA-N 464.636 2.879 30 10 JFEE CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1294584032 CKNBCWJCEXLILJ-SFHVURJKSA-N 459.558 2.934 30 10 JFEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(=O)NC)CC2)C1 1296917950 GNBOIRCSLJMEEB-UHFFFAOYSA-N 466.586 2.896 30 10 JFEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)ccc1F 1298666156 OYBGYYFYTUYXHW-INIZCTEOSA-N 457.321 2.516 30 10 JFEE COc1ccc(CCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC(F)F 1300141731 BMPQDLKTUWPQBS-UHFFFAOYSA-N 486.527 2.679 30 10 JFEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)c1ccsc1 1300471872 SMSACEONJNVONL-VWLOTQADSA-N 464.639 2.681 30 10 JFEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C(CC)CC)no1)[C@H]1CCS(=O)(=O)C1 1300488352 RDPIFKVLIPQTCD-SFHVURJKSA-N 468.583 2.907 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)c1ccccc1 1300574870 NTTAPNBPOVBVBZ-UHFFFAOYSA-N 475.622 2.838 30 10 JFEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(OC)CCOC1 1300656580 JJSUUCVLGVJCHI-OAQYLSRUSA-N 463.376 2.908 30 10 JFEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(OC)nc2)CC1 1300690787 JCZXOTPZMDMACP-UHFFFAOYSA-N 452.946 2.814 30 10 JFEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)Cc1ccco1 1300764637 ZESWRDRYGUXWEV-KRWDZBQOSA-N 460.581 2.939 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C 1300892353 RHNOLUXKEGJTAK-MBSDFSHPSA-N 465.602 2.849 30 10 JFEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1301067148 XDKMCYXTJBWJQK-VQTJNVASSA-N 460.648 2.955 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1301339777 SWJHMJPRTGXPTM-FCHUYYIVSA-N 468.627 2.729 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1csc(COC)n1 1301340153 VWCKJCXMSJQHOH-LJQANCHMSA-N 463.567 2.945 30 10 JFEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1)C(C)C 1301366483 CSVXUXYAKAPHEP-RQTOMXEWSA-N 491.702 2.886 30 10 JFEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1301498045 IWILWJDSNGHDBV-FCHUYYIVSA-N 452.603 2.923 30 10 JFEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1301519218 SDLIYTXHSPNHJD-UHFFFAOYSA-N 475.597 2.600 30 10 JFEE CCOC(=O)[C@@](C)(NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 1308088053 GVWCQNMRYFCVFC-RDGATRHJSA-N 452.530 2.603 30 10 JFEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1313693848 GSTZJRRRVPAPCZ-IBGZPJMESA-N 456.616 2.562 30 10 JFEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 1313926513 DCXBFIBVZXPCER-ZJSXRUAMSA-N 481.645 2.616 30 10 JFEE CN(Cc1ccc(Br)s1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1314725153 FDGDJXWHLDKCDD-UHFFFAOYSA-N 495.428 2.826 30 10 JFEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(C)o2)c1 1351842562 TXGOWJLSXAHXTI-UHFFFAOYSA-N 455.470 2.758 30 10 JFEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1358918729 FHVZOXXSGJLVEK-JOCHJYFZSA-N 461.570 2.971 30 10 JFEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358958225 JTTZPWZJAOUQAU-HXUWFJFHSA-N 490.029 2.674 30 10 JFEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966144 ISVCPRFSHPTWBS-VSKRKVRLSA-N 486.638 2.732 30 10 JFEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2ccccc2)nc1 1358985392 XSTZVYLAKRZYPE-IBGZPJMESA-N 478.578 2.587 30 10 JFEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359039420 IMFZVWCBKXOYKD-AREMUKBSSA-N 479.581 2.738 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359100524 CPYZRKFZLFZYIE-VWPQPMDRSA-N 454.575 2.960 30 10 JFEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC1COC(C)(C)OC1 1359102864 GVAJOUFKCKLJLR-IRLDBZIGSA-N 458.607 2.956 30 10 JFEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359115360 WEUPZSYGHZZHPT-LEWJYISDSA-N 458.632 2.871 30 10 JFEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359220598 DBSSPOXDGJXFTP-FGTMMUONSA-N 463.579 2.677 30 10 JFEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1359227845 NTLXJEVXECWLIV-BHDDXSALSA-N 479.691 2.864 30 10 JFEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359253932 ZDRXLCZBDLBXJY-MRXNPFEDSA-N 466.007 2.947 30 10 JFEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359283445 QZAATOCOFMXLKR-IRXDYDNUSA-N 451.568 2.851 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(C)CN(C)C2=O)C1 1359317322 GQWANTHLNQMILR-BTYIYWSLSA-N 460.376 2.967 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCCOC2)C1 1359335645 QMGASLJPOBUNHE-JOCHJYFZSA-N 464.563 2.604 30 10 JFEE CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1359768747 FJBDUXNSBIYEKK-BJKOFHAPSA-N 492.672 2.789 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C)nnc12 1457824703 MYMSQIHGUSWLTQ-FXAWDEMLSA-N 457.600 2.728 30 10 JFEE C=CC[C@H](CO)NS(=O)(=O)c1[nH]c(C(=O)C(Cl)(Cl)Cl)cc1Br 1475249968 VHESHNGHQSKQQG-ZCFIWIBFSA-N 454.557 2.545 30 10 JFEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1501797350 AIIAQDRKYXHJMP-IBGZPJMESA-N 487.674 2.797 30 10 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C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1508073749 PACTYFHKZMBHCB-UHFFFAOYSA-N 495.565 2.611 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1508129182 ANLXMMFTECFWQD-KRWDZBQOSA-N 493.605 2.605 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1508145092 WUUDOKBTWHNPJS-UHFFFAOYSA-N 465.501 2.918 30 10 JFEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1508153419 LLGDECLXTOYLIK-UHFFFAOYSA-N 454.604 2.572 30 10 JFEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1508166909 GFDZZMXVUDRMRO-UHFFFAOYSA-N 486.617 2.811 30 10 JFEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 1516649044 BPZMMUJLTLCEJH-UNMCSNQZSA-N 451.619 2.706 30 10 JFEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)CC(F)(F)F 1517310653 CXYOOUQTCVXISZ-RBUKOAKNSA-N 464.492 2.695 30 10 JFEE C=CCNC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1524972343 YEXODJQDAAFFPE-QFIPXVFZSA-N 458.877 2.801 30 10 JFEE 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455.584 2.923 30 10 JFEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540880674 NQPZJASVSSQJPY-UXHICEINSA-N 460.600 2.799 30 10 JFEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540907703 FSLCCVFUFHRTTL-QGZVFWFLSA-N 452.588 2.962 30 10 JFEE CC(C)(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1541226882 BNSRBPLTYAGNQT-UHFFFAOYSA-N 462.558 2.754 30 10 JFEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)N1CCOCC1 1541837539 CJNLWRIXVNUSGI-IFMALSPDSA-N 493.656 2.916 30 10 JFEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCc1nccs1 1541920901 GQQDZJPRABDXSD-INIZCTEOSA-N 483.623 2.753 30 10 JFEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1)S(C)(=O)=O 1547573074 DVGANHPAGYVANK-OAQYLSRUSA-N 496.641 2.606 30 10 JFEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)cs2)CC1 1554542411 GCGRXFRMKQODHK-UHFFFAOYSA-N 452.540 2.931 30 10 JFEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1587633907 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C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC1CCN(C(=O)OC)CC1 1595083361 BXUDEOGKWSYOBS-UHFFFAOYSA-N 479.585 2.959 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ncc(Cl)n1C 1595517327 XKXJTBUNJOSULR-UHFFFAOYSA-N 450.934 2.819 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H]1C 1595765480 BDJMKWBBFDRYEY-KBPBESRZSA-N 456.410 2.882 30 10 JFEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1595812183 OVZNHOJGADNWDI-RTBURBONSA-N 470.643 2.870 30 10 JFEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1595831874 YMZWGYNFJARLBK-YLFCFFPRSA-N 494.580 2.954 30 10 JFEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1595890139 KJSHKDTWEMTXBS-UHFFFAOYSA-N 464.595 2.851 30 10 JFEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1612782901 BAJGRRZIORSPQG-AQNXPRMDSA-N 465.602 2.516 30 10 JFEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(N)=O)CCCC2)cc(OC)c1OC 1619071447 ASEAWBXFZJACPV-HNNXBMFYSA-N 456.547 2.612 30 10 JFEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccnc2OCC(F)F)cc1 1619321875 AJZJVTYGIRECCG-LJQANCHMSA-N 486.479 2.682 30 10 JFEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@@H]1C 1619938548 AISHUIAFNLEEIX-IBGZPJMESA-N 483.617 2.841 30 10 JFEE CC(C)(C)OC(=O)N1CC(OC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1622327117 AZXAEIODPRINDA-UHFFFAOYSA-N 452.515 2.826 30 10 JFEE C=CCOc1ccc(Br)cc1NC(=O)COc1nsnc1N1CCOCC1 1626171448 KOEFLIDBFDKXHT-UHFFFAOYSA-N 455.334 2.720 30 10 JFEE C=CCN(C(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)[C@H]1CCS(=O)(=O)C1 1626455940 ARRHAYHVYRGJGR-GWWPLSDWSA-N 458.646 2.757 30 10 JFEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cc(F)ccc3OC)nnc12 1654510430 YPENGSHUBWCAPZ-UHFFFAOYSA-N 453.499 2.786 30 10 JFEE C#CCC1(O)CCN(C(=O)Nc2ccc(OCCOCCOC)c(Br)c2)CC1 1675240056 YAPDNFIUKIMUSB-UHFFFAOYSA-N 455.349 2.873 30 10 JFEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689992147 IBWBRAGBDFUUGZ-YADHBBJMSA-N 474.602 2.984 30 10 JFEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689993084 VGKPDEPLVISMDZ-WMZOPIPTSA-N 488.507 2.602 30 10 JFEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690001870 UVESGPXRCLPDSA-TUNNFDKTSA-N 499.612 2.834 30 10 JFEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc2c1OCCCO2 1690054211 QTHGQGNRURONPB-UHFFFAOYSA-N 475.574 2.942 30 10 JFEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1ccc(OC)c(Br)c1 1690104233 QKJPSWXTXVIPLV-QGZVFWFLSA-N 463.376 2.882 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccs2)N(C)C)CC1 1690148754 SEYNZCBHOLFABA-OAQYLSRUSA-N 477.638 2.594 30 10 JFEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1 1690163645 MLQAXXXGYXFBQF-LJQANCHMSA-N 466.380 2.915 30 10 JFEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1690171064 VWYHVLRVNMUICI-ROUUACIJSA-N 486.642 2.893 30 10 JFEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690184669 MUOHKXPHTCDKTD-NRFANRHFSA-N 455.628 2.690 30 10 JFEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CN2CCOCC2)CC1 1690227507 ASMSKQKKQAXGEU-GOSISDBHSA-N 454.413 2.977 30 10 JFEE C=C(Br)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690233882 UZROICIUBRJZNS-FXAWDEMLSA-N 470.412 2.532 30 10 JFEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CCOC)C(=O)C1 1690239602 YSDHZSUMDUWZLN-RXVVDRJESA-N 491.539 2.823 30 10 JFEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1C 1690312813 DBHARGSBBPDUFH-FCHUYYIVSA-N 489.642 2.854 30 10 JFEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)CC1 1690375617 PDKIHXDDFWYHFO-MYGHRHJXSA-N 453.609 2.512 30 10 JFEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(=O)(=O)N(C)C)CC1 1690402617 JBXUVYKFGJYJCA-UHFFFAOYSA-N 455.531 2.840 30 10 JFEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(N)=O)CC1 1690499960 HFVOWLVCPRKJOU-UHFFFAOYSA-N 451.369 2.720 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@@H]1C 1690558218 ITXFPMGYGYSONC-FQEVSTJZSA-N 486.580 2.710 30 10 JFEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690653176 GOBLOILJZKYXJV-ROUUACIJSA-N 483.635 2.566 30 10 JFEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690681692 XQKGWNOHKJTBBM-MHPIHPPYSA-N 469.586 2.802 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCOC2)C1 1690712615 ZKWMMSZCITUPSV-WIYYLYMNSA-N 479.375 2.552 30 10 JFEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2nc(C)cs2)CC1 1690720346 GIMYMUXJQMANSX-UHFFFAOYSA-N 488.639 2.646 30 10 JFEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1691272874 CTRIJQDSQPOCJL-OAQYLSRUSA-N 481.601 2.642 30 10 JFEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CC(C)(C)OC)CCOC1 1696078530 AJFROMSBWMJSME-XMMPIXPASA-N 472.565 2.693 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1 1698487343 HVYJMCUGGXEISI-QGZVFWFLSA-N 483.516 2.678 30 10 JFEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1705508150 JZQFLYRSPCRRSU-UHFFFAOYSA-N 456.978 2.724 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H](OC)C(F)(F)F 1705580946 UNTGUIBSKHDMBX-GOSISDBHSA-N 472.471 2.715 30 10 JFEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1705591051 DQEFBSUMAXYWCN-RUZDIDTESA-N 480.590 2.929 30 10 JFEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705679543 RIJSBZAVIBAEBH-HNNXBMFYSA-N 461.364 2.965 30 10 JFEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1705717994 XJFOCTZXSYLZDD-AWEZNQCLSA-N 473.525 2.504 30 10 JFEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705723680 NAFHTGTWZGALPL-QGZVFWFLSA-N 463.604 2.694 30 10 JFEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705726731 BZIIQTCVLUDWDP-FQEVSTJZSA-N 459.616 2.652 30 10 JFEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1705739929 WJIFDIOMPZYKFR-UHFFFAOYSA-N 452.559 2.769 30 10 JFEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1705778630 DOGXIXJTAVTSDG-UHFFFAOYSA-N 482.629 2.919 30 10 JFEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705815451 WQZYCAYJIGARPZ-UHFFFAOYSA-N 469.615 2.773 30 10 JFEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705821382 UNYVVMKHBPLZHN-FQEVSTJZSA-N 451.619 2.799 30 10 JFEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)CN2CCCC2)C1 1705919758 KKENMZHWLVKMPF-FPOVZHCZSA-N 473.643 2.862 30 10 JFEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)N2CCN(CC)CC2)C1 1705923733 MHQZJCYDSKAKNS-VQTJNVASSA-N 474.600 2.954 30 10 JFEE CCS(=O)(=O)NCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C#N)CC1 1710897530 FEVIBNLQTITVAT-UHFFFAOYSA-N 462.645 2.955 30 10 JFEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1722280766 LMTLKSLPBJYCGG-DSKINZAPSA-N 457.600 2.635 30 10 JFEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CCC)C2)c1 1722307525 YSPYMNISBANZHG-RBBKRZOGSA-N 450.587 2.918 30 10 JFEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722359306 LHDVKSZCKCZHEX-HXUWFJFHSA-N 470.599 2.827 30 10 JFEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722363050 QEUNOFUERKKPRL-MHECFPHRSA-N 472.611 2.522 30 10 JFEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364499 LHCQEGIUZMOTGV-FXAWDEMLSA-N 476.574 2.611 30 10 JFEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722364741 MLJRQQQFJNOQGJ-FGZHOGPDSA-N 466.611 2.652 30 10 JFEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1722380477 NDBKWBYSLHVNSL-UHFFFAOYSA-N 488.592 2.752 30 10 JFEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1722405658 OYZOVTJWZBPJDN-DEOSSOPVSA-N 452.534 2.957 30 10 JFEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCc2ccc(OC)c(OC)c2)CC1 1722439206 SHEYBPMGTHTCCH-UHFFFAOYSA-N 460.582 2.669 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC2CCOCC2)CC1 1722450547 MGKWBJJILPGTLB-UHFFFAOYSA-N 465.598 2.948 30 10 JFEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1722453597 YXSSPWOAYJCHOG-IBGZPJMESA-N 470.643 2.675 30 10 JFEE 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C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1301258911 CWNJTCHQPKMHDY-UHFFFAOYSA-N 452.603 2.937 30 10 JFEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1301483803 WUPFQHHOZMCGEX-IBGZPJMESA-N 466.977 2.796 30 10 JFEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCc2oncc2C1 1301593348 MFTWSKLPDAENHV-UHFFFAOYSA-N 457.556 2.625 30 10 JFEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1302223191 CQKBYHYKADOSOS-OALUTQOASA-N 465.558 2.528 30 10 JFEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCCC1(C)C 1303627270 HKSFKKKAVLKRRN-SBUREZEXSA-N 474.631 2.875 30 10 JFEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)[C@H](C#N)C1 1307755392 AQGGMTDPMXZWQN-MRXNPFEDSA-N 456.465 2.689 30 10 JFEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1315087593 HGVVDVQVRLXKMU-IBGZPJMESA-N 466.586 2.707 30 10 JFEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1358905381 YJFTVOCGCWPJCU-PKOBYXMFSA-N 473.599 2.805 30 10 JFEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1358967724 QRUSCYXUBYWPSD-IMFGXOCKSA-N 479.002 2.877 30 10 JFEE C#CCNC(=O)C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(=O)N(C)C)CC1 1359042124 SLAWGUIBZCFXBW-UHFFFAOYSA-N 485.013 2.867 30 10 JFEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359058900 UIIIESPRZMJKKG-NRFANRHFSA-N 456.635 2.591 30 10 JFEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1359084294 DBUQFGVNQGILNP-YJBOKZPZSA-N 496.431 2.643 30 10 JFEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1359111799 NKKPHUJEHGAKSR-UHFFFAOYSA-N 463.586 2.901 30 10 JFEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359124557 NBRWWBDHUYUJFK-NRFANRHFSA-N 482.629 2.965 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C)C1CC1 1359251338 JGVUGIIBWFJZJD-DNVCBOLYSA-N 465.570 2.916 30 10 JFEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1 1359255750 JFRIHZNRBIRGDX-QFBILLFUSA-N 460.629 2.706 30 10 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ZVCCMKJZYVQNFF-VAMGGRTRSA-N 457.600 2.603 30 10 JFEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1507992997 MNKPAJCALJRHOE-QZTJIDSGSA-N 479.647 2.982 30 10 JFEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508080908 FURZBTBMOHEPQL-SFHVURJKSA-N 469.977 2.619 30 10 JFEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1508150993 TUAOESHRKPXJLZ-CYBMUJFWSA-N 466.405 2.947 30 10 JFEE CCN(CCCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)S(C)(=O)=O 1515711124 FGESXGQOZHHFRX-UHFFFAOYSA-N 497.625 2.864 30 10 JFEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1517708705 BTCMMWBWBTZNBR-OAQYLSRUSA-N 451.575 2.826 30 10 JFEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCNc2nccc(C(F)(F)F)n2)cc1 1521089439 DELWGGJMWRMZEF-MRXNPFEDSA-N 499.501 2.829 30 10 JFEE C#CCN(CC#CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 1523675000 HWSHPRGXKZEDPR-UHFFFAOYSA-N 454.548 2.774 30 10 JFEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NCC)c1 1539028470 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